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  • American Association for the Advancement of Science  (55,626)
  • International Union of Crystallography (IUCr)
  • 2020-2023  (21)
  • 1985-1989  (22,296)
  • 1980-1984  (20,794)
  • 1975-1979  (20,700)
  • 1935-1939  (10,754)
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  • 1
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    Future climate response to Antarctic Ice Sheet melt caused by anthropogenic warming (2020)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-25
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Sadai, S., Condron, A., DeConto, R., & Pollard, D. Future climate response to Antarctic Ice Sheet melt caused by anthropogenic warming. Science Advances, 6(39), (2020): eaaz1169, doi:10.1126/sciadv.aaz1169.
    Description: Meltwater and ice discharge from a retreating Antarctic Ice Sheet could have important impacts on future global climate. Here, we report on multi-century (present–2250) climate simulations performed using a coupled numerical model integrated under future greenhouse-gas emission scenarios IPCC RCP4.5 and RCP8.5, with meltwater and ice discharge provided by a dynamic-thermodynamic ice sheet model. Accounting for Antarctic discharge raises subsurface ocean temperatures by 〉1°C at the ice margin relative to simulations ignoring discharge. In contrast, expanded sea ice and 2° to 10°C cooler surface air and surface ocean temperatures in the Southern Ocean delay the increase of projected global mean anthropogenic warming through 2250. In addition, the projected loss of Arctic winter sea ice and weakening of the Atlantic Meridional Overturning Circulation are delayed by several decades. Our results demonstrate a need to accurately account for meltwater input from ice sheets in order to make confident climate predictions.
    Description: This research was supported by the NSF Office of Polar Programs through NSF grant 1443347, the Biological and Environmental Research (BER) division of the U.S. Department of Energy through grant DE-SC0019263, the NSF through ICER 1664013, and by a grant to the NASA Sea Level Science Team 80NSSC17K0698.
    Repository Name: Woods Hole Open Access Server
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  • 2
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    A continuous pathway for fresh water along the East Greenland shelf (2020)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-25
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Foukal, N. P., Gelderloos, R., & Pickart, R. S. A continuous pathway for fresh water along the East Greenland shelf. Science Advances, 6(43), (2020): eabc4254, doi:10.1126/sciadv.abc4254.
    Description: Export from the Arctic and meltwater from the Greenland Ice Sheet together form a southward-flowing coastal current along the East Greenland shelf. This current transports enough fresh water to substantially alter the large-scale circulation of the North Atlantic, yet the coastal current’s origin and fate are poorly known due to our lack of knowledge concerning its north-south connectivity. Here, we demonstrate how the current negotiates the complex topography of Denmark Strait using in situ data and output from an ocean circulation model. We determine that the coastal current north of the strait supplies half of the transport to the coastal current south of the strait, while the other half is sourced from offshore via the shelfbreak jet, with little input from the Greenland Ice Sheet. These results indicate that there is a continuous pathway for Arctic-sourced fresh water along the entire East Greenland shelf from Fram Strait to Cape Farewell.
    Description: Funding for this work comes from the NSF under grant numbers OCE-1756361 and OCE-1558742 (N.P.F. and R.S.P.) and grant numbers OCE-1756863 and OAC-1835640 (R.G.).
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  • 3
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    Archean cratonic mantle recycled at a mid-ocean ridge (2022)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-09-13
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Liu, C.-Z., Dick, H. J. B., Mitchell, R. N., Wei, W., Zhang, Z.-Y., Hofmann, A. W., Yang, J.-F., & Li, Y. Archean cratonic mantle recycled at a mid-ocean ridge. Science Advances, 8(22), (2022): eabn6749, https://doi.org/10.1126/sciadv.abn6749.
    Description: Basalts and mantle peridotites of mid-ocean ridges are thought to sample Earth’s upper mantle. Osmium isotopes of abyssal peridotites uniquely preserve melt extraction events throughout Earth history, but existing records only indicate ages up to ~2 billion years (Ga) ago. Thus, the memory of the suspected large volumes of mantle lithosphere that existed in Archean time (〉2.5 Ga) has apparently been lost somehow. We report abyssal peridotites with melt-depletion ages up to 2.8 Ga, documented by extremely unradiogenic 187Os/188Os ratios (to as low as 0.1095) and refractory major elements that compositionally resemble the deep keels of Archean cratons. These oceanic rocks were thus derived from the once-extensive Archean continental keels that have been dislodged and recycled back into the mantle, the feasibility of which we confirm with numerical modeling. This unexpected connection between young oceanic and ancient continental lithosphere indicates an underappreciated degree of compositional recycling over time.
    Description: This study was financially supported by the National Science Fund for Distinguished Young Scholars 42025201 (to C.-Z.L.), the National Key Research and Development Project of China 2020YFA0714801 (to C.-Z.L.), the Strategic Priority Research Program of the Chinese Academy of Sciences XDA13010106 (to C.-Z.L.), the Strategic Priority Research Program of the Chinese Academy of Sciences XDB42020301 (to C.-Z.L.), and NSF grants 2114652 and 1657983 (to H.J.B.D.).
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  • 4
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    Multiple integrated metabolic strategies allow foraminiferan protists to thrive in anoxic marine sediments (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Gomaa, F., Utter, D. R., Powers, C., Beaudoin, D. J., Edgcomb, V. P., Filipsson, H. L., Hansel, C. M., Wankel, S. D., Zhang, Y., & Bernhard, J. M. Multiple integrated metabolic strategies allow foraminiferan protists to thrive in anoxic marine sediments. Science Advances, 7(22), (2021): eabf1586, https://doi.org/10.1126/sciadv.abf1586.
    Description: Oceanic deoxygenation is increasingly affecting marine ecosystems; many taxa will be severely challenged, yet certain nominally aerobic foraminifera (rhizarian protists) thrive in oxygen-depleted to anoxic, sometimes sulfidic, sediments uninhabitable to most eukaryotes. Gene expression analyses of foraminifera common to severely hypoxic or anoxic sediments identified metabolic strategies used by this abundant taxon. In field-collected and laboratory-incubated samples, foraminifera expressed denitrification genes regardless of oxygen regime with a putative nitric oxide dismutase, a characteristic enzyme of oxygenic denitrification. A pyruvate:ferredoxin oxidoreductase was highly expressed, indicating the capability for anaerobic energy generation during exposure to hypoxia and anoxia. Near-complete expression of a diatom’s plastid genome in one foraminiferal species suggests kleptoplasty or sequestration of functional plastids, conferring a metabolic advantage despite the host living far below the euphotic zone. Through a unique integration of functions largely unrecognized among “typical” eukaryotes, benthic foraminifera represent winning microeukaryotes in the face of ongoing oceanic deoxygenation.
    Description: his project was funded by the U.S. NSF IOS 1557430 and 1557566. H.L.F. acknowledges support from the Swedish Research Council VR (grant number 2017-04190).
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  • 5
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    Postmelting hydrogen enrichment in the oceanic lithosphere (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Le Roux, V., Urann, B. M., Brunelli, D., Bonatti, E., Cipriani, A., Demouchy, S., & Monteleone, B. D. Postmelting hydrogen enrichment in the oceanic lithosphere. Science Advances, 7(24), (2021): eabf6071, https://doi.org/10.1126/sciadv.abf6071.
    Description: The large range of H2O contents recorded in minerals from exhumed mantle rocks has been challenging to interpret, as it often records a combination of melting, metasomatism, and diffusional processes in spatially isolated samples. Here, we determine the temporal variations of H2O contents in pyroxenes from a 24-Ma time series of abyssal peridotites exposed along the Vema fracture zone (Atlantic Ocean). The H2O contents of pyroxenes correlate with both crustal ages and pyroxene chemistry and increase toward younger and more refractory peridotites. These variations are inconsistent with residual values after melting and opposite to trends often observed in mantle xenoliths. Postmelting hydrogen enrichment occurred by ionic diffusion during cryptic metasomatism of peridotite residues by low-degree, volatile-rich melts and was particularly effective in the most depleted peridotites. The presence of hydrous melts under ridges leads to widespread hydrogen incorporation in the oceanic lithosphere, likely lowering mantle viscosity compared to dry models.
    Description: Funding for this study was supported by NSF EAR-P&G 1524311 and 1839128 to V.L.R. and the Andrew W. Mellon Foundation Award for Innovative Research to V.L.R. A.C. and D.B. were funded by the Italian Programma di Rilevante Interesse Nazionale PRIN 20178LPCPW and PRIN2017KY5ZX8, respectively. Revisions were performed within the duration of a “Visiting Scholar at SCIENCE 2020” award to V.L.R. (University of Copenhagen, Denmark), with support from the Department of Geosciences and Natural Resource Management, Section for Geology.
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  • 6
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    Remote and local drivers of Pleistocene South Asian summer monsoon precipitation: a test for future predictions (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Clemens, S. C., Yamamoto, M., Thirumalai, K., Giosan, L., Richey, J. N., Nilsson-Kerr, K., Rosenthal, Y., Anand, P., & McGrath, S. M. Remote and local drivers of Pleistocene South Asian summer monsoon precipitation: a test for future predictions. Science Advances, 7(23), (2021): eabg3848, https://doi.org/10.1126/sciadv.abg3848.
    Description: South Asian precipitation amount and extreme variability are predicted to increase due to thermodynamic effects of increased 21st-century greenhouse gases, accompanied by an increased supply of moisture from the southern hemisphere Indian Ocean. We reconstructed South Asian summer monsoon precipitation and runoff into the Bay of Bengal to assess the extent to which these factors also operated in the Pleistocene, a time of large-scale natural changes in carbon dioxide and ice volume. South Asian precipitation and runoff are strongly coherent with, and lag, atmospheric carbon dioxide changes at Earth’s orbital eccentricity, obliquity, and precession bands and are closely tied to cross-equatorial wind strength at the precession band. We find that the projected monsoon response to ongoing, rapid high-latitude ice melt and rising carbon dioxide levels is fully consistent with dynamics of the past 0.9 million years.
    Description: S.C.C. and S.M.M. were supported by U.S. NSF OCE1634774. M.Y. was funded by JSPS grants JPMXS05R2900001 and 19H05595 and JAMSTEC Exp. 353 postcruise study. K.N.-K. and P.A. were supported by UK-IODP, Open University, and NERC (NE/L002493/1), K.T. was supported by the Technology and Research Initiative Fund, Arizona Board of Regents.
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  • 7
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    Groundwater residence time estimates obscured by anthropogenic carbonate (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Seltzer, A. M., Bekaert, D. V., Barry, P. H., Durkin, K. E., Mace, E. K., Aalseth, C. E., Zappala, J. C., Mueller, P., Jurgens, B., & Kulongoski, J. T. Groundwater residence time estimates obscured by anthropogenic carbonate. Science Advances, 7(17), (2021): eabf3503, https://doi.org/10.1126/sciadv.abf3503.
    Description: Groundwater is an important source of drinking and irrigation water. Dating groundwater informs its vulnerability to contamination and aids in calibrating flow models. Here, we report measurements of multiple age tracers (14C, 3H, 39Ar, and 85Kr) and parameters relevant to dissolved inorganic carbon (DIC) from 17 wells in California’s San Joaquin Valley (SJV), an agricultural region that is heavily reliant on groundwater. We find evidence for a major mid-20th century shift in groundwater DIC input from mostly closed- to mostly open-system carbonate dissolution, which we suggest is driven by input of anthropogenic carbonate soil amendments. Crucially, enhanced open-system dissolution, in which DIC equilibrates with soil CO2, fundamentally affects the initial 14C activity of recently recharged groundwater. Conventional 14C dating of deeper SJV groundwater, assuming an open system, substantially overestimates residence time and thereby underestimates susceptibility to modern contamination. Because carbonate soil amendments are ubiquitous, other groundwater-reliant agricultural regions may be similarly affected.
    Description: his work was conducted as a part of the USGS National Water Quality Assessment Program (NAWQA) Enhanced Trends Project (https://water.usgs.gov/nawqa/studies/gwtrends/). Measurements at Argonne National Laboratory were supported by Department of Energy, Office of Science under contract DE-AC02-06CH11357. Measurements at Pacific Northwest National Laboratory were part of the Ultra-Sensitive Nuclear Measurements Initiative conducted under the Laboratory Directed Research and Development Program. PNNL is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. This work was also partially supported by NSF award OCE-1923915 (to A.M.S. and P.H.B. at WHOI).
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  • 8
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    Serpentinite-derived slab fluids control the oxidation state of the subarc mantle (2022)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Zhang, Y., Gazel, E., Gaetani, G. A., & Klein, F. Serpentinite-derived slab fluids control the oxidation state of the subarc mantle. Science Advances, 7(48), (2021): eabj2515, https://doi.org/10.1126/sciadv.abj2515.
    Description: Recent geochemical evidence confirms the oxidized nature of arc magmas, but the underlying processes that regulate the redox state of the subarc mantle remain yet to be determined. We established a link between deep subduction-related fluids derived from dehydration of serpentinite ± altered oceanic crust (AOC) using B isotopes and B/Nb as fluid proxies, and the oxidized nature of arc magmas as indicated by Cu enrichment during magma evolution and V/Yb. Our results suggest that arc magmas derived from source regions influenced by a greater serpentinite (±AOC) fluid component record higher oxygen fugacity. The incorporation of this component into the subarc mantle is controlled by the subduction system’s thermodynamic conditions and geometry. Our results suggest that the redox state of the subarc mantle is not homogeneous globally: Primitive arc magmas associated with flat, warm subduction are less oxidized overall than those generated in steep, cold subduction zones.
    Description: Y.Z. acknowledges funding from the National Science Foundation of China (91958213), the Chinese Academy of Sciences (XDB42020402), and the Shandong Provincial Natural Science Foundation, China (ZR2020QD068). This study was supported in part by the U.S. National Science Foundation NSF EAR 1826673 to E.G. and G.A.G. and OCE 1756349 to E.G.
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  • 9
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    Multiple carbon incorporation strategies support microbial survival in cold subseafloor crustal fluids (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Trembath-Reichert, E., Shah Walter, S. R., Ortiz, M. A. F., Carter, P. D., Girguis, P. R., & Huber, J. A. Multiple carbon incorporation strategies support microbial survival in cold subseafloor crustal fluids. Science Advances, 7(18), (2021): eabg0153, https://doi.org/10.1126/sciadv.abg0153.
    Description: Biogeochemical processes occurring in fluids that permeate oceanic crust make measurable contributions to the marine carbon cycle, but quantitative assessments of microbial impacts on this vast, subsurface carbon pool are lacking. We provide bulk and single-cell estimates of microbial biomass production from carbon and nitrogen substrates in cool, oxic basement fluids from the western flank of the Mid-Atlantic Ridge. The wide range in carbon and nitrogen incorporation rates indicates a microbial community well poised for dynamic conditions, potentially anabolizing carbon and nitrogen at rates ranging from those observed in subsurface sediments to those found in on-axis hydrothermal vent environments. Bicarbonate incorporation rates were highest where fluids are most isolated from recharging bottom seawater, suggesting that anabolism of inorganic carbon may be a potential strategy for supplementing the ancient and recalcitrant dissolved organic carbon that is prevalent in the globally distributed subseafloor crustal environment.
    Description: The Gordon and Betty Moore Foundation sponsored most of the observatory components at North Pond through grant GBMF1609. This work was supported by the National Science Foundation through grants NSF OCE-1745589, OCE-1635208, and OCE-1062006 to J.A.H. and NSF OCE-1635365 to P.R.G. and S.R.S.W.; NASA Postdoctoral Fellowship with the NASA Astrobiology Institute to E.T.-R.; L’Oréal USA For Women in Science Fellowship to E.T.-R.; and Woods Hole Partnership Education Program, sponsored by the Woods Hole Diversity Initiative to M.A.F.O. The Center for Dark Energy Biosphere Investigations (C-DEBI OCE-0939564) also supported the participation of J.A.H. and P.D.C. This is C-DEBI contribution number 564.
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  • 10
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    Reconciling evidence of oxidative weathering and atmospheric anoxia on Archean Earth (2021)
    American Association for the Advancement of Science
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    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Johnson, A. C., Ostrander, C. M., Romaniello, S. J., Reinhard, C. T., Greaney, A. T., Lyons, T. W., & Anbar, A. D. Reconciling evidence of oxidative weathering and atmospheric anoxia on Archean Earth. Science Advances, 7(40), (2021): eabj0108, https://doi.org/10.1126/sciadv.abj0108.
    Description: Evidence continues to emerge for the production and low-level accumulation of molecular oxygen (O2) at Earth’s surface before the Great Oxidation Event. Quantifying this early O2 has proven difficult. Here, we use the distribution and isotopic composition of molybdenum in the ancient sedimentary record to quantify Archean Mo cycling, which allows us to calculate lower limits for atmospheric O2 partial pressures (PO2) and O2 production fluxes during the Archean. We consider two end-member scenarios. First, if O2 was evenly distributed throughout the atmosphere, then PO2 〉 10–6.9 present atmospheric level was required for large periods of time during the Archean eon. Alternatively, if O2 accumulation was instead spatially restricted (e.g., occurring only near the sites of O2 production), then O2 production fluxes 〉0.01 Tmol O2/year were required. Archean O2 levels were vanishingly low according to our calculations but substantially above those predicted for an abiotic Earth system.
    Description: We would like to thank our funding sources, including FESD “Dynamics of Earth System Oxygenation” (NSF EAR 1338810 to A.D.A.), NASA Earth and Space Science Fellowship awarded to A.C.J. (80NSSC17K0498), NSF EAR PF to A.C.J. (1952809), and WHOI Postdoctoral Fellowship to C.M.O. C.T.R. acknowledges support from the NASA Astrobiology Institute. We also acknowledge support from the Metal Utilization and Selection across Eons (MUSE) Interdisciplinary Consortium for Astrobiology Research, sponsored by the National Aeronautics and Space Administration Science Mission Directorate (19-ICAR19_2-0007).
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  • 11
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    Fossil records of early solar irradiation and cosmolocation of the CAI factory: a reappraisal (2021)
    American Association for the Advancement of Science
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    Publication Date: 2022-05-27
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Bekaert, D. V., Auro, M., Shollenberger, Q. R., Liu, M.-C., Marschall, H., Burton, K. W., Jacobsen, B., Brennecka, G. A., McPherson, G. J., von Mutius, R., Sarafian, A., & Nielsen, S. G. Fossil records of early solar irradiation and cosmolocation of the CAI factory: a reappraisal. Science Advances, 7(40), (2021): eabg8329, https://doi.org/10.1126/sciadv.abg8329.
    Description: Calcium-aluminum–rich inclusions (CAIs) in meteorites carry crucial information about the environmental conditions of the nascent Solar System prior to planet formation. Based on models of 50V–10Be co-production by in-situ irradiation, CAIs are considered to have formed within ~0.1 AU from the proto-Sun. Here, we present vanadium (V) and strontium (Sr) isotopic co-variations in fine- and coarse-grained CAIs and demonstrate that kinetic isotope effects during partial condensation and evaporation best explain V isotope anomalies previously attributed to solar particle irradiation. We also report initial excesses of 10Be and argue that CV CAIs possess essentially a homogeneous level of 10Be, inherited during their formation. Based on numerical modeling of 50V–10Be co-production by irradiation, we show that CAI formation during protoplanetary disk build-up likely occurred at greater heliocentric distances than previously considered, up to planet-forming regions (~1AU), where solar particle fluxes were sufficiently low to avoid substantial in-situ irradiation of CAIs.
    Description: This study was funded by NASA Emerging Worlds grant NNX16AD36G to S.G.N. and prepared by LLNL under contract DE-AC52-07NA27344 with release number LLNL-JRNL-819045. M.C.L acknowledges the support by the NASA grant 80NSSC20K0759. The UCLA ion microprobe facility is partially supported by a grant from the NSF Instrumentation and Facilities program.
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  • 12
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    A global environmental crisis 42,000 years ago (2021)
    American Association for the Advancement of Science
    In:  EPIC3Science, American Association for the Advancement of Science, 371(6531), pp. 811-818
    Details
    Publication Date: 2022-10-01
    Description: Geological archives record multiple reversals of Earth's magnetic poles, but the global impacts of these events, if any, remain unclear. Uncertain radiocarbon calibration has limited investigation of the potential effects of the last major magnetic inversion, known as the Laschamps Excursion 41 to 42 thousand years ago (ka). We use ancient New Zealand kauri trees (Agathis australis) to develop a detailed record of atmospheric radiocarbon levels across the Laschamps Excursion. We precisely characterize the geomagnetic reversal and perform global chemistry-climate modeling and detailed radiocarbon dating of paleoenvironmental records to investigate impacts. We find that geomagnetic field minima ~42 ka, in combination with Grand Solar Minima, caused substantial changes in atmospheric ozone concentration and circulation, driving synchronous global climate shifts that caused major environmental changes, extinction events, and transformations in the archaeological record.
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  • 13
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    Sunlight-driven dissolution is a major fate of oil at sea (2022)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-06-09
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Freeman, D. H., & Ward, C. P. Sunlight-driven dissolution is a major fate of oil at sea. Science Advances, 8(7), (2022): eabl7605, https://doi.org/10.1126/sciadv.abl7605.
    Description: Oxygenation reactions initiated by sunlight can transform insoluble components of crude oil at sea into water-soluble products, a process called photo-dissolution. First reported a half century ago, photo-dissolution has never been included in spill models because key parameters required for rate modeling were unknown, including the wavelength and photon dose dependence. Here, we experimentally quantified photo-dissolution as a function of wavelength and photon dose, making possible a sensitivity analysis of environmental variables in hypothetical spill scenarios and a mass balance assessment for the 2010 Deepwater Horizon (DwH) spill. The sensitivity analysis revealed that rates were most sensitive to oil slick thickness, season/latitude, and wavelength and less sensitive to photon dose. We estimate that 3 to 17% (best estimate 8%) of DwH surface oil was subject to photo-dissolution, comparable in magnitude to other widely recognized fate processes. Our findings invite a critical reevaluation of surface oil budgets for both DwH and future spills at sea.
    Description: This work was supported by the Fisheries and Oceans Canada Multi-Partner Research Initiative award to C.P.W. (project #1.06), the NSF Graduate Research Fellowship awarded to D.H.F. (award #174530), and NSF-OCE grant #1841092 to C.P.W.
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  • 14
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    Surface warming-induced global acceleration of upper ocean currents (2022)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-07-25
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Peng, Q., Xie, S.-P., Wang, D., Huang, R. X., Chen, G., Shu, Y., Shi, J.-R., & Liu, W. Surface warming-induced global acceleration of upper ocean currents. Science Advances, 8(16), (2022): eabj8394, https://doi.org/10.1126/sciadv.abj8394.
    Description: How the ocean circulation changes in a warming climate is an important but poorly understood problem. Using a global ocean model, we decompose the problem into distinct responses to changes in sea surface temperature, salinity, and wind. Our results show that the surface warming effect, a robust feature of anthropogenic climate change, dominates and accelerates the upper ocean currents in 77% of the global ocean. Specifically, the increased vertical stratification intensifies the upper subtropical gyres and equatorial currents by shoaling these systems, while the differential warming between the Southern Ocean upwelling zone and the region to the north accelerates surface zonal currents in the Southern Ocean. In comparison, the wind stress and surface salinity changes affect regional current systems. Our study points a way forward for investigating ocean circulation change and evaluating the uncertainty.
    Description: Q.P. is supported by the National Natural Science Foundation of China (42005035), the Science and Technology Planning Project of Guangzhou (202102020935), and the Independent Research Project Program of State Key Laboratory of Tropical Oceanography (LTOZZ2102). D.W. is supported by the National Natural Science Foundation of China (92158204), and the Innovation Group Project of Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai) (311020004). S.-P.X. is supported by the National Science Foundation (AGS-1934392). Y.S. is supported by the National Key Research and Development Program of China (2016YFC1401702). G.C. is supported by National Natural Science Foundation of China (41822602). The numerical simulation is supported by the High-Performance Computing Division and HPC managers of W. Zhou and D. Sui in the South China Sea Institute of Oceanology.
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  • 15
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    Crystal aggregates record the pre-eruptive flow field in the volcanic conduit at Kilauea, Hawaii (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in DiBenedetto, M., Qin, Z., & Suckale, J. Crystal aggregates record the pre-eruptive flow field in the volcanic conduit at Kilauea, Hawaii. Science Advances, 6(49), (2020): eabd4850, doi:10.1126/sciadv.abd4850.
    Description: Developing reliable, quantitative conduit models that capture the physical processes governing eruptions is hindered by our inability to observe conduit flow directly. The closest we get to direct evidence is testimony imprinted on individual crystals or bubbles in the conduit and preserved by quenching during the eruption. For example, small crystal aggregates in products of the 1959 eruption of Kīlauea Iki, Hawaii contain overgrown olivines separated by large, hydrodynamically unfavorable angles. The common occurrence of these aggregates calls for a flow mechanism that creates this crystal misorientation. Here, we show that the observed aggregates are the result of exposure to a steady wave field in the conduit through a customized, process-based model at the scale of individual crystals. We use this model to infer quantitative attributes of the flow at the time of aggregate formation; notably, the formation of misoriented aggregates is only reproduced in bidirectional, not unidirectional, conduit flow.
    Description: M.D. acknowledges support the Stanford Gerald J. Lieberman Fellowship and the Postdoctoral Scholarship from Woods Hole Oceanographic Institution.
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    The role of northeast pacific meltwater events in deglacial climate change (2020)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Praetorius, S. K., Condron, A., Mix, A. C., Walczak, M. H., McKay, J. L., & Du, J. The role of northeast pacific meltwater events in deglacial climate change. Science Advances, 6(9), (2020): eaay2915, doi:10.1126/sciadv.aay2915.
    Description: Columbia River megafloods occurred repeatedly during the last deglaciation, but the impacts of this fresh water on Pacific hydrography are largely unknown. To reconstruct changes in ocean circulation during this period, we used a numerical model to simulate the flow trajectory of Columbia River megafloods and compiled records of sea surface temperature, paleo-salinity, and deep-water radiocarbon from marine sediment cores in the Northeast Pacific. The North Pacific sea surface cooled and freshened during the early deglacial (19.0-16.5 ka) and Younger Dryas (12.9-11.7 ka) intervals, coincident with the appearance of subsurface water masses depleted in radiocarbon relative to the sea surface. We infer that Pacific meltwater fluxes contributed to net Northern Hemisphere cooling prior to North Atlantic Heinrich Events, and again during the Younger Dryas stadial. Abrupt warming in the Northeast Pacific similarly contributed to hemispheric warming during the Bølling and Holocene transitions. These findings underscore the importance of changes in North Pacific freshwater fluxes and circulation in deglacial climate events.
    Description: The research was partly supported by the NSF through grants ARC-257 1204045 and PLR-1417667. The numerical model simulations used resources from the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under contract no. DE-AC02-05CH11231.
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    Small-molecule mimicry hunting strategy in the imperial cone snail, Conus imperialis (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Torres, J. P., Lin, Z., Watkins, M., Salcedo, P. F., Baskin, R. P., Elhabian, S., Safavi-Hemami, H., Taylor, D., Tun, J., Concepcion, G. P., Saguil, N., Yanagihara, A. A., Fang, Y., McArthur, J. R., Tae, H. S., Finol-Urdaneta, R. K., Özpolat, B. D., Olivera, B. M., & Schmidt, E. W. Small-molecule mimicry hunting strategy in the imperial cone snail, Conus imperialis. Science Advances, 7(11), (2021): eabf2704, https://doi.org/10.1126/sciadv.abf2704.
    Description: Venomous animals hunt using bioactive peptides, but relatively little is known about venom small molecules and the resulting complex hunting behaviors. Here, we explored the specialized metabolites from the venom of the worm-hunting cone snail, Conus imperialis. Using the model polychaete worm Platynereis dumerilii, we demonstrate that C. imperialis venom contains small molecules that mimic natural polychaete mating pheromones, evoking the mating phenotype in worms. The specialized metabolites from different cone snails are species-specific and structurally diverse, suggesting that the cones may adopt many different prey-hunting strategies enabled by small molecules. Predators sometimes attract prey using the prey’s own pheromones, in a strategy known as aggressive mimicry. Instead, C. imperialis uses metabolically stable mimics of those pheromones, indicating that, in biological mimicry, even the molecules themselves may be disguised, providing a twist on fake news in chemical ecology.
    Description: Research reported in this publication was supported by NIH R35GM12252, with contributions to biological work from NIH Fogarty International Center U19TW008163, NIH P01GM48677, and DOD CDMRP W81XWH-17-1-0413. The content is solely the responsibility of the authors and does not necessarily represent the official views of the NIH.
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    Thermal stress reduces pocilloporid coral resilience to ocean acidification by impairing control over calcifying fluid chemistry (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Guillermic, M., Cameron, L. P., De Corte, I., Misra, S., Bijma, J., de Beer, D., Reymond, C. E., Westphal, H., Ries, J. B., & Eagle, R. A. Thermal stress reduces pocilloporid coral resilience to ocean acidification by impairing control over calcifying fluid chemistry. Science Advances, 7(2), (2021): eaba9958, https://doi.org/10.1126/sciadv.aba9958.
    Description: The combination of thermal stress and ocean acidification (OA) can more negatively affect coral calcification than an individual stressors, but the mechanism behind this interaction is unknown. We used two independent methods (microelectrode and boron geochemistry) to measure calcifying fluid pH (pHcf) and carbonate chemistry of the corals Pocillopora damicornis and Stylophora pistillata grown under various temperature and pCO2 conditions. Although these approaches demonstrate that they record pHcf over different time scales, they reveal that both species can cope with OA under optimal temperatures (28°C) by elevating pHcf and aragonite saturation state (Ωcf) in support of calcification. At 31°C, neither species elevated these parameters as they did at 28°C and, likewise, could not maintain substantially positive calcification rates under any pH treatment. These results reveal a previously uncharacterized influence of temperature on coral pHcf regulation—the apparent mechanism behind the negative interaction between thermal stress and OA on coral calcification.
    Description: R.A.E. and J.B.R. acknowledge support from National Science Foundation grants OCE-1437166 and OCE-1437371. The work was also supported by the “Laboratoire d’Excellence” LabexMER (ANR-10-LABX-19), cofunded by a grant from the French government under the program “Investissements d’Avenir,” and an IAGC student grant 2017. R.A.E. acknowledges financial and logistical support from the Pritzker Endowment to UCLA IoES, and J.B.R. acknowledges support from the ZMT and the Hanse-Wissenschaftskolleg Fellowship Program and the NSF OCE award #1437371.
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    The United States' contribution of plastic waste to land and ocean (2020)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Law, K. L., Starr, N., Siegler, T. R., Jambeck, J. R., Mallos, N. J., & Leonard, G. H. The United States' contribution of plastic waste to land and ocean. Science Advances, 6(44), (2020): eabd0288, doi:10.1126/sciadv.abd0288.
    Description: Plastic waste affects environmental quality and ecosystem health. In 2010, an estimated 5 to 13 million metric tons (Mt) of plastic waste entered the ocean from both developing countries with insufficient solid waste infrastructure and high-income countries with very high waste generation. We demonstrate that, in 2016, the United States generated the largest amount of plastic waste of any country in the world (42.0 Mt). Between 0.14 and 0.41 Mt of this waste was illegally dumped in the United States, and 0.15 to 0.99 Mt was inadequately managed in countries that imported materials collected in the United States for recycling. Accounting for these contributions, the amount of plastic waste generated in the United States estimated to enter the coastal environment in 2016 was up to five times larger than that estimated for 2010, rendering the United States’ contribution among the highest in the world.
    Description: This work was funded by Ocean Conservancy through support from the Arthur Vining Davis Foundations.
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    Offshore pelagic subsidies dominate carbon inputs to coral reef predators (2021)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2021. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Skinner, C., Mill, A. C., Fox, M. D., Newman, S. P., Zhu, Y., Kuhl, A., & Polunin, N. V. C. Offshore pelagic subsidies dominate carbon inputs to coral reef predators. Science Advances, 7(8), (2021): eabf3792, https://doi.org/10.1126/sciadv.abf3792.
    Description: Coral reefs were traditionally perceived as productive hot spots in oligotrophic waters. While modern evidence indicates that many coral reef food webs are heavily subsidized by planktonic production, the pathways through which this occurs remain unresolved. We used the analytical power of carbon isotope analysis of essential amino acids to distinguish between alternative carbon pathways supporting four key reef predators across an oceanic atoll. This technique separates benthic versus planktonic inputs, further identifying two distinct planktonic pathways (nearshore reef-associated plankton and offshore pelagic plankton), and revealing that these reef predators are overwhelmingly sustained by offshore pelagic sources rather than by reef sources (including reef-associated plankton). Notably, pelagic reliance did not vary between species or reef habitats, emphasizing that allochthonous energetic subsidies may have system-wide importance. These results help explain how coral reefs maintain exceptional productivity in apparently nutrient-poor tropical settings, but also emphasize their susceptibility to future ocean productivity fluctuations.
    Description: Sample analysis funding was provided by NERC LSMSF grant BRIS/102/0717 and BRIS/125/1418. C.S. was supported by a Newcastle University SAgE DTA studentship and a cooperative agreement with Banyan Tree.
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    An early cretaceous subduction-modified mantle underneath the ultraslow spreading Gakkel Ridge, Arctic Ocean (2020)
    American Association for the Advancement of Science
    Details
    Publication Date: 2022-05-26
    Description: © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Richter, M., Nebel, O., Maas, R., Mather, B., Nebel-Jacobsen, Y., Capitanio, F. A., Dick, H. J. B., & Cawood, P. A. An early cretaceous subduction-modified mantle underneath the ultraslow spreading Gakkel Ridge, Arctic Ocean. Science Advances, 6(44), (2020): eabb4340, doi:10.1126/sciadv.abb4340.
    Description: Earth’s upper mantle, as sampled by mid-ocean ridge basalts (MORBs) at oceanic spreading centers, has developed chemical and isotopic heterogeneity over billions of years through focused melt extraction and re-enrichment by recycled crustal components. Chemical and isotopic heterogeneity of MORB is dwarfed by the large compositional spectrum of lavas at convergent margins, identifying subduction zones as the major site for crustal recycling into and modification of the mantle. The fate of subduction-modified mantle and if this heterogeneity transmits into MORB chemistry remains elusive. Here, we investigate the origin of upper mantle chemical heterogeneity underneath the Western Gakkel Ridge region in the Arctic Ocean through MORB geochemistry and tectonic plate reconstruction. We find that seafloor lavas from the Western Gakkel Ridge region mirror geochemical signatures of an Early Cretaceous, paleo-subduction zone, and conclude that the upper mantle can preserve a long-lived, stationary geochemical memory of past geodynamic processes.
    Description: O.N. was supported by the Australian Research Council (grant FT140101062). P.A.C. was supported by the Australian Research Council (grant FL160100168). H.J.B.D. was supported by the NSF (grants PLR 9912162, PLR 0327591, OCE 0930487, and OCE 1434452). M.R. was supported by a graduate scholarship of Monash University and the SEAE.
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  • 22
    Electronic Resource
    Electronic Resource
    Misorientation contrast of crystal subgrain boundaries in Berg–Barrett X-ray micrographs (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 29-36 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A stereographic projection method of analysis has been developed for analyzing the misorientation contrast of crystal subgrain boundaries which are observed in Berg–Barrett X-ray micrographs. The boundary appearance is described in terms of the geometry of the boundary with respect to the crystal surface, the angular misorientation of the adjacent subgrains, and the X-ray diffraction conditions. The rotation axis for the misorientation of adjacent subgrains, including the sense of the rotation, and the amount of misorientation is determined from the width and relative contrast of the boundary in various images. Experimental results are described for subgrain boundaries in zinc crystals solidified along different crystallographic growth directions. The Burgers vectors of the dislocations composing the subgrain boundary are indirectly determined by this method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009478
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  • 23
    Electronic Resource
    Electronic Resource
    Measurement of strain and lattice parameter in epitaxic layers (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 42-44 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A means of measuring strain and lattice parameter directly in epitaxic layers by `double-crystal' X-ray diffraction is presented. The method described has three major advantages; that it is achieved by a simple addition to a commercial goniometer; that the area of sample illuminated is defined solely by the collimator; and that single or double-crystal diffraction can be selected, simultaneously if needed, on exactly the same specimen area.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009491
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  • 24
    Electronic Resource
    Electronic Resource
    A silicon powder diffraction standard reference material (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 45-48 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A silicon powder Standard Reference Material, SRM-640, has been prepared for use as a standard in powder diffractometry. Powder diffraction measurements were performed with a tungsten internal standard and a high-angle goniometer. The measured a/λ is 3.525176. With λ(Cu Kα1 peak) taken as 1.5405981 Å, a = 5.430880 (35) Å, uncorrected for refraction. Comparison of a with values obtained with a single-crystal from one of the boules reveals a difference of 3 parts in 105. This difference suggests a subtle systematic error in powder diffractometry or a change in lattice spacing near crystal boundaries. Use of the SRM should permit individual measurements of lattice parameters to be made reproducible to near 1 part in 105 and an absolute accuracy of at least 3 parts in 105.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009508
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  • 25
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    Electronic Resource
    The separation of displacement and substitutional disorder scattering: a correction for structure-factor ratio variation (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 111-114 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The assumptions in the Borie & Sparks [Acta Cryst. (1971). A27, 198–201] procedure for the separation of order- and displacement-dependent components of diffuse X-ray scattering from a binary system AB are examined with the use of the concentration deviation (spin-like) notation. The more limiting assumption, that the structure-factor ratio η = (mAfA + mBfB)/(fA−fB) is constant in reciprocal space, is shown to produce an incomplete separation for normal variations in η. A matrix-inversion method for completing the separation is suggested for those cases in which the approximate equality of the Debye–Waller factors (DWF) of the individual atomic species indicates that some terms of the scattering equation may be neglected. The extension suggested by Ramesh & Ramaseshan [Acta Cryst. (1971). A27, 569–572] that anomalous dispersion induced changes in η could be used to separate the atomic static displacement properties of the various atomic pairs is shown to require a change in η greater than the variation of η across the reciprocal-space volume. Some difficulties of obtaining such a change are pointed out.
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  • 26
    Electronic Resource
    Electronic Resource
    Positional information in solid-solution models (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 121-126 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The role of positional information in determining the thermodynamics of crystalline solid solutions is considered. It is noted that, with certain exceptions (e.g.b.c.c. Fe–B), such solutions can be classified as being exclusively either substitutional or interstitial with respect to each solute. Calculation of thermodynamic properties of intersitital solutions requires knowledge of the types of sites preferentially occupied by the solute. The problem of determining that occupancy is considered for several binary systems. A cumulant expansion technique, which meets with good success in describing dilute, high-temperature, interstitial solutions, is applied to the case of high-temperature binary substitutional systems of similar metals. The technique is shown to be of limited utility in this application.
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    URL: http://dx.doi.org/10.1107/S0021889875009776
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  • 27
    Electronic Resource
    Electronic Resource
    Scattering of X-rays by correlated defect distributions (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 127-127 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: It may be essential in certain cases (e.g. non-dilute alloys and dislocations) to take into account the (pair and higher-order) correlations in the defect distribution. To this end the kinematic expression for the total scattered intensity is rewritten.
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    URL: http://dx.doi.org/10.1107/S0021889875009818
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  • 28
    Electronic Resource
    Electronic Resource
    Linear local order (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 132-132 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: If the occurrence of one or two-dimensional local order in alloys or in neutron-irradiated materials has been known for many years, the observation by X-ray and neutron scattering of quasi-one-dimensional order due to displacements or correlated motions of atoms along independent chains is more recent. Examples to be discussed are given.
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    Electronic Resource
    Crystallographers (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 75-75 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009612
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    Electronic Resource
    Tenth General Assembly and International Congress of Crystallography (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 76-76 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009624
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  • 31
    Electronic Resource
    Electronic Resource
    Elastic diffuse neutron scattering on Ih ice (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 128-128 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Structural studies showed that oxygen atoms in Ih ice are well ordered whereas hydrogen atoms are `statistically' distributed on two possible sites on each O–H–O bond.
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    URL: http://dx.doi.org/10.1107/S002188987500982X
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  • 32
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    Electronic Resource
    Diffuse scattering studies of defects in irradiated copper (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 185-185 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The integral Huang diffuse X-ray scattering from crystals containing small dislocation loops can be analyzed to obtain two types of information: (1) the size distribution of the loops and (2) the total number of point defects contained in the loops. This technique has been applied to copper crystals irradiated under a number of conditions of neutron irradiation flux, dose and temperature, for which loops are produced, and to selected annealing studies of these loops, with all X-ray measurements made at room temperature.
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    URL: http://dx.doi.org/10.1107/S0021889875010035
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  • 33
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    Electronic Resource
    Quantitative interpretation of X-ray line broadening of plastically deformed crystals (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 191-192 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Explanations for the broadening of X-ray line profiles of plastically deformed crystals in terms of the density and the distribution of the dislocations introduced during deformation are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875010060
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    Study of the \def\lambdabar{\ifvmode\noindent\fi{\hbox{$\lambda$}\kern-0.35em\raise0.7ex\hbox{-}\kern0.2em}}\lambdabar" phase in Zr–Nb alloys by Mössbauer and X-ray diffuse scattering (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 140-140 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The ω phase transformation in Zr–Nb alloys has been studied by measuring the X-ray diffuse scattering in the (110) plane and the Mössbauer diffuse scattering along the 〈111〉 direction of separate single crystals with compositions ranging from 8 to 30% Nb.
    Type of Medium: Electronic Resource
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    Electronic Resource
    The relation between displacive disorder, premartensitic instabilities and the martensitic transformation in β-Cu–Zn alloys (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 141-141 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A simple crystallographic approach in obtaining the final martensitic structure [3R, 1R, 2H) from the initial displacive modes is presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009879
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  • 36
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    Theory of diffuse scattering from crystals with point defects (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 142-142 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The theory of the diffuse scattering from crystals with small concentrations of point defects and small clusters is reviewed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889875009909
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  • 37
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    Analytic expressions for displacement fields of dislocation loops in anisotropic cubic crystals (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 143-143 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Analytic expressions for the dilation and the stress tensor in reciprocal space are discussed.
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  • 38
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    An investigation of the nature of the -X,Z growth sector boundary in synthetic quartz (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 203-203 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The boundary between the −X and Z growth regions in synthetic quartz has been studied using X-ray topography and other techniques and it has been found that the crystal lattice remains coherent at the boundary.
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    Electron-diffraction and electron-microscopy methods for the study of ordering in crystals (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 204-204 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The diffraction of electrons is, in principle, a very sensitive probe of the relative atomic positions in ordered or disordered crystals. The full potential of electron diffraction and electron microscopy methods for the study of local atomic arrangements has not been realised because of the difficulties of conducting experiments under sufficiently well defined conditions and because of the complications introduced by the dynamical diffraction processes involved.
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    Investigation of the strain field of bismuth in lead by diffuse elastic neutron scattering (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 183-183 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The diffuse elastic neutron scattering due to distortion of the Pb host lattice around Bi substitutional atoms has been measured at the HFR in Grenoble and the results discussed.
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    Measurement of diffuse X-ray scattering between reciprocal-lattice points as a new experimental method in determining interstitial structures (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 175-183 
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    Notes: For interstitials the scattering cross section between the Bragg reflections is very sensitive to the position of the defect atom and the displacements of the neighbouring lattice atoms. In contrast to this the scattering near the Bragg reflections (Huang scattering) is mainly governed by the displacement field at large distances from the defect and gives information about defect symmetry and strength [Trinkaus, H. (1972). Phys. Stat. Sol. (b) 51, 307–319]. For determining structures of point defects a measurement of scattering far from reciprocal-lattice points is therefore the best suited and most direct method. X-ray measurements of point-defect scattering in this region far from reciprocal-lattice points are difficult. With conventional X-ray set-ups it is not possible to separate the defect scattering from the thermal diffuse and Compton background scattering which is up to two orders of magnitude larger in the case of typical defect concentrations of some 10−4. Such measurements, however, become possible if large X-ray sources of high luminous density are used in connexion with multidetector arrangements. As an example an experimental arrangement [Haubold, H.-G. & Schilling, W. (1975). To be published; Haubold, H.-G. (1974). Rep. Kernforschungsanlage Jülich, JUL-1090-FF] is reviewed, in which the scattering cross-section of self-interstitials in aluminium was measured in samples containing an atomic density of interstitials up to 5 × 10−4.
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    Pseudopotential calculations of lattice distortions around impurities in simple metals (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 184-184 
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    Notes: Second-order pseudopotential calculations are known to reproduce fairly well the structure and phonon spectra of many simple metals. The validity of the underlying assumption of linear screening for impurities with valences and core radii close to those of the host can be checked a posteriori and by comparing calculated properties with measurements on dilute alloys, and, especially, coherent elastic neutron scattering.
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    Theory of the scattering from crystals containing strongly distorting defect clusters (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 185-185 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Analytical methods to describe the scattering from crystals containing defect clusters with strong displacement fields are reviewed.
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    Small-angle scattering in neutron irradiated copper (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 193-194 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Work which has been started at Pelindaba on small-angle scattering in neutron irradiated copper is described.
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    Measurement of relative void surface energies in irradiated metals by small-angle scattering (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 193-193 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Voids formed in neutron irradiated metals are faceted on various crystallographic planes. This faceting has been shown to cause significant anisotropy in the small-angle scattering pattern. It is shown that it is possible to obtain the specific void surface energies from small-angle diffuse scattering data.
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    Studies of lattice defects using weak diffracted beams (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 224-224 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The weak-beam method of electron microscopy provides a means for studying lattice defects with greatly increased resolution compared with normal diffraction contrast techniques.
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    Dilatation thermique du cyclopentadienyl thallium TlC5H5 entre 78 et 295 K (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 386-387 
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    Notes: The thermal expansion of cyclopentadienylthallium, TlC5H5, was determined in the range 78 to 295 K, using X-ray powder diffractometry. Expansion is very anisotropic: α1 = 125 ± 12, α2 = 97 ± 5, α3 = 0 ± 4 (all 10−6 K−1). Directions and ratio of the two greatest expansion coefficients: α1 and α2, are explained by considering the shortest distances Tl+–Tl|+ in this ionic structure.
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  • 48
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    Crystal data for some guanidinium salts (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 392-395 
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    Notes: Several guanidinium salts have been studied since, because they contain six hydrogen atoms per unit charge, they are likely to contain multiple hydrogen bonding systems [see e.g. Adams & Small (1974). Acta Cryst. B30, 2191–2193], which are of interest in themselves and are also likely to cause stabilization of the structure. The crystal data of a range of salts were collected and are given. Space group and approximate cell dimensions were obtained from oscillation and Weissenberg photographs. Powder diffraction data [0° to 60° (2&thgr; using Cu Kα)] were indexed and the cell parameters refined using the programs PIRUM of Werner [Program No. 1, World List of Crystallographic Computer Programs (3rd. ed.): J. Appl. Cryst. (1973). 6, 309–346] and CELFIT of Bracher [UKAEA Research Report, AERE-R5412 (1967)].
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    Crystal data on ortho-substituted benzaldehydes (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 397-397 
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    Notes: Unlike the position with negatively charged substituents, little has been done on benzaldehydes ortho-substituted with positively charged groups. This is more especially true in the field of crystallography where only the X-ray and neutron diffraction study of o-nitrobenzaldehyde has been reported [Coppens & Schmidt, Acta Cryst. (1964). 17, 222–228; Coppens, Acta Cryst. (1964). 17, 573–578]. Preliminary results of a structural investigation on Se- and Te-containing benzaldehydes are presented. The main purpose is to corroborate and to complete the conclusion of recent n.m.r. work on the conformation of these molecules [Baiwir, Llabres, Denoel & Piette, Mol. Phys. (1973). 25, 1–7]. The following compounds have been studied: C6H4.COH.TeCl, C6H4.COH.TeBr, C6H4.COH.TeI, C6H4 COH.SeCl, C6H4.COH.SeBr. The crystal structure of the second (TeBr) has been recently reported [Baiwir Llabres, Dideberg, Dupont & Piette, Acta Cryst. (1974). B30, 139–143] and the structure of the last (SeBr) is presently in the final stage of refinement.
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    Crystallographers (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 402-402 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Electronic absorption and internal and external vibrational data of atomic and molecular ions doped in alkali halide crystals by S. C. Jain, A. V. R. Warrier and S. K. Agarwal (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 403-403 
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    Liquid-structure analysis by energy-scanning X-ray diffraction: mercury (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 405-414 
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    Notes: Quantitative liquid-structure analysis using energy-scanning diffraction rather than the traditional angle-scanning diffraction is introduced. In the experimental method, white radiation and a solid-state detector are employed. This new method is inherently faster and less beset with problems of experimental instability than are angular-scanning methods. However, many differences in analysis are introduced. In particular, measurement of the primary beam spectrum, the nature of the absorption and dispersion corrections, details of the polarization correction, the ranges of the atomic scattering factor and of the incoherent scattering term, and the mating of different scattering regimes all require special consideration. Application of the new instrumental method and the reconstructed analytical procedure to liquid mercury at room temperature has produced a result in agreement with other recent studies.
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    A new small-angle X-ray scattering facility utilizing a rotating anode, pin-hole collimation and a position-sensitive proportional counter (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 421-429 
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    Notes: A new small-angle X-ray scattering facility which utilizes a 6 kW rotating anode, pin-hole collimation, and a position-sensitive proportional counter has been developed. As presently constructed, the minimum scattering vector κ (= 4π sin &thgr;/2) which can be reached with Cu Kα radiation is 5 × 10−3 Å−1. Under these conditions the flux incident on the specimen has been found to be 6 × 105 photons s−1. The system has several advantages compared with traditional long-slit geometries; namely, (i) it can quantitatively measure anisotropic scattering distributions, (ii) it avoids large mathematical corrections of the data for slit-smearing effects, and (iii) it minimizes double Bragg scattering in crystalline materials and multiple diffuse scattering in amorphous or liquid materials. To illustrate the performance of this instrument, the scattering curves obtained from four widely different samples are shown. These are: polyethylene, a neutron-irradiated aluminium single-crystal containing voids, a dilute suspension of Ludox spheres, and duck tendon collagen. Quantitative comparisons of the performance with a Kratky camera and with the neutron small-angle scattering facility in Jülich are given.
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    Accurate lattice constants from multiple reflection measurements. II. Lattice constants of germanium silicon, and diamond (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 457-458 
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    Notes: The lattice constants of a diamond platelet and of large single, undoped, crystals of silicon and germanium have been determined from measurements of multiple diffraction patterns by the method described in Part I [Post (1975). J. Appl. Cryst. 8, 452–456]. The mean values, based on measurements of eight to twelve reflections, and their standard deviations are: diamond a = 3.566986 Å, Aa/a = 2.6 × 10−6; silicon a = 5.430941 Å, Aa/a = 2 × 10−6; germanium a = 5.657820 Å, Δa/a = 1.6 × 10−6.
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    Manganese ion site distribution studies in tourmaline by anomalous X-ray scattering methods (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 469-472 
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    Notes: The Mn3+ site distribution in a manganese-containing tsilaisite tourmaline sample has been determined as 46±3 wt. % in the larger Y octahedral sites and 54± 3 wt. % in the smaller Z octahedral sites. For this, a novel application of anomalous X-ray scattering techniques, in conjunction with the energy dispersive X-ray diffraction procedure, has been used. This method appears to be versatile and applicable to many different elements.
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    Absorption correction for crystals in capillary tubes (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 491-492 
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    Notes: An inexpensive calculation is outlined for determining those reflexions suffering large absorption errors, and for correcting those with smaller errors.
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    A very inexpensive device for collecting X-ray data below the ambient temperature (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 496-496 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystallographers (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 496-497 
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    X-ray investigation of copper selenides Cu2−xSe (2.00≥2-x≥1.72) (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 375-379 
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    Notes: The lattice parameters and the linear coefficient of the lattice thermal expansion of f.c.c. β-Cu2−xSe (1.86 ≥ 2−x ≥ 1.72) were determined by means of the Debye–Scherrer X-ray diffraction technique in the temperature range 25–336°C. The concentration and temperature dependence of the coefficient of thermal expansion are discussed. In addition the equilibrium phase diagram of the Cu–Se system in the region of a non-stoichiometric Cu2−xSe compound (2.00 ≥2−x ≥1.72) was redetermined, with special consideration of the homogeneity range of the f.c.c. β-Cu2−xSe, and compared with previously published results.
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    Crystal data for thallium germanium sulphide, Tl2GeS3 (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 391-391 
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    Notes: Crystals of Tl2GeS3 were grown by solidification from melts. The compound is triclinic with lattice parameters a = 8.06, b = 12.70, c = 6.76 Å, α = 96°39′, β = 93°10′, γ = 99°31′. Powder data are given.
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    Programme Fortran pour l'analyse tridimensionnelle des textures sans hypothèse restrictive sur les symétries de l'échantillon (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 589-597 
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    Notes: A computer program has been written in Fortran for the numerical calculation, using generalized spherical harmonics, of the texture of a sample, even when it has no symmetry. Automatically plotted pole figures, corrected and normalized, make it possible to begin to control the results. Reconstituted pole figures are plotted as a function of Cmνl. The calculations, based on the theoretical developments of Bunge [Mathematische Methoden der Texturanalyse. (1969). Berlin: Akademie Verlag] were carried out with different numerical analyses so as to reduce the size of the calculation and the time taken.
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    Determination of structure factors by white X-ray diffraction from a powder sample of GaP (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 578-581 
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    Notes: The white X-ray diffraction method with the use of a powder sample [Laine, Läihteenmäki & Kantola (1972). X-ray Spectrosc. 1, 93–98] was improved by paying special attention to the following four points: (i) the determination of the energy spectrum of incident white X-rays, (ii) the measurement of the energy dependence of the relative absorption coefficient, (iii) the correction for the contribution from thermal diffuse scattering, and (iv) the correction for the anomalous dispersion. The determination of the structure factors of GaP is shown as an example of its applications. The structure factors determined were compared with those obtained by the usual angle dispersive method with monochromated X-rays on the same sample. It is shown that these two sets of structure factors mostly agree within the limit of reproducibility.
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    An analysis of errors in the Fourier coefficients of the α1 line profile (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 612-614 
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    Notes: The errors in the Fourier coefficients of the α1 component obtained by α2 elimination are investigated analytically. The effects of counting statistics, of an incorrect intensity ratio of the α1 and α2 components and of an incorrect doublet separation are calculated. The mean-square error in the Fourier coefficient caused by counting statistics is a periodic function of the harmonic number, while errors in the intensity ratio and in the doublet separation primarily affect the first Fourier coefficients. The results are confirmed by computer simulations and by computations with experimental line profiles. The α2 elimination methods assume a perfect shape identity of the α1 and α2 components, but this assumption is not completely justified. Deviations might be interpreted as local errors in the doublet separation and the intensity ratio.
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    Textures of cold-rolled pure aluminum measured by neutron and X-ray diffraction (1975)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 8 (1975), S. 628-635 
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    Notes: The textures of undirectionally and reversed rolled aluminium sheets were measured using thermal neutrons and Cu and Mo Kα radiation. The samples for the X-ray measurements were prepared in three different ways so that the degree of correspondence between textures as measured with neutrons and X-rays could be investigated. It is shown that agreement can be achieved if the X-rays used penetrate sufficiently into the sample and if a composite type sample is used.
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    A low-temperature apparatus for single-crystal diffractometry. The unit-cell dimension of α-quartz in the temperature range 86–298 K (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 14-17 
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    Notes: A detailed description of an automatic low-temperature apparatus to be used in single-crystal diffractometry is given. The crystal is cooled by a stream of nitrogen gas. Prevention of ice formation on the crystal is achieved by heating the outer parts of the gas stream by a conical metal device. The unit-cell dimensions of α-quartz have been determined in the temperature range 86–298 K with this apparatus on a four-circle diffractometer of type CAD-4.
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    Stereographic X-ray reflection topography of dislocations in zinc (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 34-38 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: X-ray reflection topographs were taken of a zinc surface oriented about 1° from a basal plane. Basal dislocations are revealed in the topographs, and their apparent depth was determined using stereo pairs of topographs. The apparent depths observed in a complimentary pair of topographs using 10\bar 13 and \bar 1013 reflections were significantly greater than those observed in an asymmetric pair of topographs in which the same 10\bar 13 reflection was used. This difference is attributed to shifts of the image with respect to the dislocation position. Quantitative estimates of the image shifts and the actual depths of the observed dislocations are obtained from the measurement of apparent depths. Dislocations are visible over the range of depths from 1.7 to 4.5 μm.
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    Computer programs for radial distribution analyses of X-ray and electron diffraction data (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 253-254 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A set of Fortran programs for radial distribution function analyses of X-ray and electron diffraction data of liquid and amorphous samples is available. The programs relate, first, to the formation of a reduced intensity function, F(K) ≡ (I − 〈f2〉)/〈f〉2, where I is the coherent scattered intensity in electron units, K is 4π sin &thgr;/λ, and 〈f〉 is the average of the scattering factors. The experimental radial distribution function G(r) = 4πr[ρ(r)−ρ0], is derived as the Fourier sine integral of F(K).
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    Reliability in automated flatbed microdensitometers (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 257-258 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1107/S0021889876011199
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    The detection of small differences in lattice constant at low temperature by an energy-dispersive X-ray diffractometer (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 286-290 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A cryostat has been designed for an energy-dispersive X-ray diffractometer so that the specimen can be measured between 1.48 K and room temperature. Three powder samples can successively be measured at a fixed temperature by rotating the cryostat in steps of 120°. This design is very suitable particularly for detecting a slight change or difference, if any, in lattice constant among samples. A typical example is described of detecting the difference in lattice constant between 92Mo and 100Mo.
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    A general, weighted least-squares method for the evaluation of small-angle X-ray data without desmearing (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 73-79 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: In order to avoid some of the disadvantages associated with the desmearing methods, a procedure has been developed where the smeared, primary, intensity data can be evaluated directly without desmearing. The procedure consists of the following: first, a model depending on a vector of unknowns, x = (x1, ...., xn), is constructed; then, an iterative search is made for the vector x, and a scale factor s, which corresponds to a local minimum in the error square sum based on the primary, slit-smeared, intensity data. The main advantages with the present method are that the comparison between theory and experiment is made directly with the experimental quantity; thus the experimental errors can be considered in this comparison. Furthermore, some of the disadvantages associated with the desmearing methods are avoided; the method is numerically stable and no extrapolations outside the measured angular range are necessary. Several data sets measured at different concentrations and with different, completely arbitrary, primary-beam weighting functions can be considered in the same refinement. The interparticle scattering effect may also be included in the least-squares refinement. The method is general, so that different models can be tested simply by changing only one subroutine of the computer program. It may also be used to evaluate data impaired by other types of resolution errors; for example, effects due to polychromatic radiation or resolution errors in neutron scattering. Two constructed examples of the application of the method are given: (1) the calculation of the dimensions and the molecular weight of particles with a shape which can be approximated with an ellipsoid of revolution; (2) the calculation of the dimensions and electron-density distribution for spherical particles.
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    The analysis of single-crystal Bragg reflections from profile measurements (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 114-120 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A method is described for finding the peak limits of a Bragg reflection from an analysis of its profile. A `window' of ± 0.67σ[φ)(x)] is set up on each ordinate φ(x) in the tails of the profile and the pattern of the following ordinates is observed through the window. As the ordinate moves from the peak to the background the pattern changes and the limits of the peak may be recognized. Bragg reflections from three crystals have been analysed by this method and the limits found were generally wider than those determined by the method of Lehmann & Larsen [Acta Cryst. (1974), A30, 580–584] applied to the same data. The value of σ(I)/I was near the minimum and similar to the value from the corrected Lehmann–Larsen limits. The behaviour of the methods is also compared by representing the reflections by equivalent Gaussian profiles, and it is found that 〉99% of the Gaussian peak is within the limits found by the present method.
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    Scherrer after sixty years: A survey and some new results in the determination of crystallite size (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 102-113 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Existing knowledge about Scherrer constants is reviewed and a summary is given of the interpretation of the broadening arising from small crystallites. Early work involving the half-width as a measure of breadth has been completed and Scherrer constants of simple regular shapes have been determined for all low-angle reflections (h2 + k2 + l2 ≤ 100) for four measures of breadth. The systematic variation of Scherrer constant with hkl is discussed and a convenient representation in the form of contour maps is applied to simple shapes. The relation between the `apparent' crystallite size, as determined by X-ray methods, and the `true' size is considered for crystallites having the same shape. If they are of the same size, then the normal Scherrer constant applies, but if there is a distribution of sizes, a modified Scherrer constant must be used.
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  • 73
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    Optimum resolution in X-ray energy-dispersive diffractometry (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 137-140 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The resolution problem in X-ray energy-dispersive diffractometry is discussed. It is shown that for a given characteristic of the solid-state detector system and a given range of interplanar spacings, an optimum scattering angle can be easily found for any divergence of the incident and scattered beams.
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    Spherical monocrystals for X-ray work obtained by plasma remelting of alloy powder (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 148-150 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Spherical crystals of alloy phases too hard and brittle for grinding can be obtained by partial remelting and solidification of a powder sample. The alloy powder is blown through an argon-plasma jet melting the surface material of individual fragments, which solidify again as nearly perfect spheres. The yield is a mixture of different materials in which it is possible, however, after heat treatment to find good single crystals of the original composition. Spherical single crystals of Cu9Al4 have been produced by this method and used for a high-precision X-ray investigation described elsewhere.
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    A new computer program for contour maps of texture functions (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 254-256 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A Fortran program for plotting contour maps of texture functions is described. The program works at high speed and is very flexible in application. For input the values of the texture function, which have been measured or calculated on a grid of mesh points, are required. From these data, the single-level lines of a contour map are calculated and plotted. Format and caption of the contour map as well as the marking of the level lines can be individually chosen. In the present paper the program is applied to direct and inverse pole figures as well as to a three-dimensional orientation distribution function (ODF) of a silver sheet deformed by 99.3%.
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    Use of high and low temperature attachment for Weissenberg camera (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 258-258 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Crystal data and crystal growth of PbGe3O7 (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 157-158 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Completely transparent and colourless single crystals of PbGe3O7 were grown from a melt of composition PbO.2GeO2 at 1040 K by spontaneous crystallization. The compound melts incongruently at 1070 K. The unit cell is orthorhombic with lattice constants a = 5.270 (2), b = 14.088 (4), c = 16.054 (4) Å; D293 = 5.94 (4), Dx = 5.985 g cm−3 for Z = 8. The probable space group is Pcab (D152h). A reported phase of composition PbGe205 is shown to be a mixture of PbGe3O7 and α-PbGeO3. X-ray powder data are given.
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    Crystal data for diphenyl tin sulphide trimer and n-dibutyl(ethylene-1,2-dithiol)stannane (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 507-508 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The compounds diphenyl tin sulphide trimer and n-dibutyl(ethylene-1,2-dithiol)stannane crystallize into space groups P21 and C2 respectively. The unit-cell parameters are reported.
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    Crystal data for some o-molecular compounds (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 361-364 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: Crystal data (from single-crystal measurements) are reported for 19 different crystalline π-molecular compounds, representing 16 different chemical species (three polymorphic pairs are included). 13 of these molecular compounds have equimolar compositions, five have donor:acceptor ratios of 1:2 and the remaining one has composition (fluorene)3 :( 1,3,5-trinitrobenzene)4.
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    Alimentation autonome en azote liquide: application à un dispositif basse température Stoe (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 369-370 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Further studies on the dielectric behaviour of cadmium iodide polytypes (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 32-36 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The dielectric constants (εr) of several cadmium iodide polytypes have been measured and found to be higher than that of the parent 4H structure. The dielectric constants for several long-period polytypes have been found to lie between 60 and 190 whereas the 4H parent structure has a value in the range of about 15 to 30. In particular, both increasing polytype periodicity and increasing disorder increase the dielectric constant, e.g. from 16 for an ordered 4H structure to 114 for a 32H structure and 67 for a highly disordered 4H structure. In the absence of disorder a particular polytype has its own characteristic dielectric constant value, e.g. the two 14H polytypes which have a common εr value of 63.
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    X-ray misorientation contrast for a (lineage) subgrain boundary (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 57-59 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The separation or overlapping of adjacent subgrain images in Berg–Barrett X-ray (reflection) micrographs is described for a reasonably general misorientation between the crystal subgrains. The five crystallographic parameters which describe the diffraction experiment also specify, effectively, the direction of the rotation axis for the misorientation, the amount of the angular misorientation, and the relative orientation of the subgrain boundary interface.
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    Recording of electron-diffraction patterns of radiation-sensitive materials in the high-voltage electron microscope with luminescent radiographic screens (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 62-63 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An effective method for greatly reducing the electron exposure of radiation-sensitive organic or biological specimens while recording their diffraction patterns in a high-voltage (MeV range) electron microscope is described. It involves recording on double-coated screen-type medical X-ray film and backing it with a luminescent radiographic screen which intercepts the transmitted electrons and emits visible light that exposes the bottom emulsion of the film. Values of sensitivity, resolution, and enhancement ratio are tabulated: the latter values range up to 41. Typical patterns taken with l-valine are shown.
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    Präparation von biologischem Material und eine verbesserte Präparatträgerhalterung für Kiessig-Kameras (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 415-416 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Symmetry Aspects of M.C.Escher's Periodic Drawings (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 417-417 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes and News (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 417-418 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    A semi-automated system for identifying crystalline materials with powder diffraction data (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 419-423 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A semi-automated system has been developed for identifying the components of a crystalline mixture according to correlations between the diffraction pattern of the mixture and the Hanawalt index of the Powder Diffraction File. The system is designed for use in the laboratory with modest computing facilities, e.g. a disc or tape-based 16 K mini-computer. In the computerized stage of the system those components which cannot contribute to the measured pattern are automatically eliminated. Subsequent manual interpretation of the results of the computer search, preferably with the support of a semi-quantitative elemental analysis, further reduces the number of possibilities.
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    On two methods of determination of particle size distribution functions by means of small-angle X-ray scattering (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 433-440 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: The total X-ray intensity as a function of h (h is the radial coordinate in reciprocal space), scattered by an isotropic system of particles of equal shapes but of different sizes R, can, under certain conditions, be expressed as an integral over the particle size distribution function D(R), multiplied by a common single-particle function of hR which can be calculated from the assumed particle shape. In the first method D(R) is calculated from this relation by the method of least squares, in which values of D at a limited number of particle sizes are the unknowns. To avoid oscillations in the D curve, constraints are imposed on the D values. The proper weight to be assigned to these constraints must be determined by trial and error. The method has been adapted to suit various assumptions and requirements as to the shape of the particles, the type of distribution function to be calculated, and experimental conditions (slit or pinhole focusing). The second method is essentially the one described by Schmidt, Weil & Brill [X-ray & Electron Methods of Analysis, pp. 86–100. (1968), New York: Plenum], which, however, is adapted to the use of slit-smeared intensities. Both methods may give rise to artefacts in the calculated distribution functions in the range of the smallest particle sizes, which are sensitive to the setting of the various parameters and to experimental errors. However, the position and shape of the main maxima can usually be determined quite well. The agreement between the results obtained by the two methods is satisfactory.
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    The absorption factor for a cylindrical specimen perpendicular to a cylindrical beam of the same radius. Application to the X-ray study of CsDNA with the use of synchrotron radiation (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 238-242 
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    Notes: An X-ray diffraction study of CsDNA has been carried out with the use of synchrotron radiation of wavelength λ = 1.2 Å. The geometry corresponds to a cylindrical specimen brought into a cylindrical beam of the same diameter and the absorption factor and the primary-beam attenuation factor have been calculated as functions of specimen μR for this geometry. The optimum size of a specimen is here about 1.5 times greater than that in the case of a plane-parallel beam used in International Tables for X-ray Crystallography [Vol. II, (1967), 2nd ed., p. 295. Birmingham: Kynoch Press]. Experimental and calculated primary-beam attenuation factors have been compared and the experimental value of the linear absorption coefficient μ of CsDNA has been estimated for various humidities. The agreement between μc = 78.1 and μo = 78.2 ± 3.6 cm−1 (relative humidity 66–75%) indicates that the geometrical model used is suitable to describe polymer fibres in a cylindrical beam of nearly the same size. It is seen from the observed μ values that there is one caesium ion per nucleotide (monomer unit of DNA molecule) in the specimens used.
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    Crystallographers (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 512-512 
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    Structure Reports (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 512-512 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Index of Crystallographic Supplies (1976)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 9 (1976), S. 513-513 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    X-ray line-profile analysis. II. Determination of the crystallite-diameter distribution function (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 191-196 
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    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
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    Notes: A new procedure for solving the integral equation which connects the crystallite-diameter distribution function pν(D) to the pure diffraction profile is presented here. The representation of pν(D) is based on a polynomial expansion modulated by a generalized Cauchy function. The influence of the truncation of the diffraction profile and of the number of coefficients of the polynomial expansion is studied. This procedure has been applied with success to some catalysts, the granulometry of which is known by other experimental approaches.
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    Crystal data for methylammonium manganese(II) trichloride dihydrate, CH3NH3MnCl3.2H2O (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 201-202 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Methylammonium manganese(II) trichloride dihydrate crystallizes with a monoclinic unit cell, a = 7.795 (2), b = 9.154 (2), c = 11.462 (4) Å, β = 91.28 (3)°, space group P21/c. Its structure is related to that of α-RbMnCl3.2H2O.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877013259
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  • 95
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    Crystal data for the low-temperature phase of Pb3(VO4)2 (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 132-132 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Pb3(VO4)2 is monoclinic at low temperatures with space group P21. The lattice constants are a = 15.042, b = 6.106, c = 18.586 Å, β = 111.88°. The indexed powder diagram is given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877013077
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  • 96
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    Paracrystalline nature of myelin (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 141-146 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: An analysis of thickness variances from an electron-microscope cross-section of myelin sheath shows that the standard deviation varies proportionally to the square root of the number of intervening lamellae. This result implies that the lamellar irregularities are additive and that a paracrystalline stacking model is an appropriate representation for the myelin structure. The X-ray diffraction data from myelin exhibit the characteristics of a paracrystalline material. Both electron microscope and X-ray diffraction evidence suggest that myelin is paracrystalline rather than crystalline.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877013132
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  • 97
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    A further solution for a two-dimensional model of crystal-growth disorder (1977)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 10 (1977), S. 344-348 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The paper refers to a previously described two-dimensional model of crystal-growth disorder in which the type of molecule or atom at a given lattice site is dependent on the previous neighbour in the two crystal directions. It is shown that a special case of the model for which some mathematical and simulation results have been published corresponds to the situation when the statistical properties of the lattice are symmetric to reflection in a plane. This symmetry may be achieved by applying a constraint to the growth probability parameters and, moreover, enables a solution to be found for the statistical properties of the lattices.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889877013582
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  • 98
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    Crystal technology by W. L. Bond (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 293-294 
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    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013424
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  • 99
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    Notes and News (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 293-293 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013412
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  • 100
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    Electron and photn interactions with atoms edited by H. Kleinpoppen and M. R. C. McDowell (1978)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 11 (1978), S. 294-294 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889878013436
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