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  • Other Sources  (18)
  • American Meteorological Society
  • International Union of Crystallography
  • Nature Publishing Group
  • 2020-2023  (6)
  • 1980-1984  (9)
  • 1970-1974  (3)
  • 1940-1944
  • 1
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    On incoherent diffractive imaging (2021)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-04-07
    Description: Incoherent diffractive imaging (IDI) promises structural analysis with atomic resolution based on intensity interferometry of pulsed X‐ray fluorescence emission. However, its experimental realization is still pending and a comprehensive theory of contrast formation has not been established to date. Explicit expressions are derived for the equal‐pulse two‐point intensity correlations, as the principal measured quantity of IDI, with full control of the prefactors, based on a simple model of stochastic fluorescence emission. The model considers the photon detection statistics, the finite temporal coherence of the individual emissions, as well as the geometry of the scattering volume. The implications are interpreted in view of the most relevant quantities, including the fluorescence lifetime, the excitation pulse, as well as the extent of the scattering volume and pixel size. Importantly, the spatiotemporal overlap between any two emissions in the sample can be identified as a crucial factor limiting the contrast and its dependency on the sample size can be derived. The paper gives rigorous estimates for the optimum sample size, the maximum photon yield and the expected signal‐to‐noise ratio under optimal conditions. Based on these estimates, the feasibility of IDI experiments for plausible experimental parameters is discussed. It is shown in particular that the mean number of photons per detector pixel which can be achieved with X‐ray fluorescence is severely limited and as a consequence imposes restrictive constraints on possible applications.
    Description: Starting from a simple model of stochastic fluorescence emission, a theory is derived of contrast formation and signal‐to‐noise ratio for incoherent diffractive imaging; its feasibility for plausible experimental parameters is discussed. image
    Keywords: ddc:548
    Language: English
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  • 2
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    Sub‐micrometer focusing setup for high‐pressure crystallography at the Extreme Conditions beamline at PETRA III (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-06-24
    Description: Scientific tasks aimed at decoding and characterizing complex systems and processes at high pressures set new challenges for modern X‐ray diffraction instrumentation in terms of X‐ray flux, focal spot size and sample positioning. Presented here are new developments at the Extreme Conditions beamline (P02.2, PETRA III, DESY, Germany) that enable considerable improvements in data collection at very high pressures and small scattering volumes. In particular, the focusing of the X‐ray beam to the sub‐micrometer level is described, and control of the aberrations of the focusing compound refractive lenses is made possible with the implementation of a correcting phase plate. This device provides a significant enhancement of the signal‐to‐noise ratio by conditioning the beam shape profile at the focal spot. A new sample alignment system with a small sphere of confusion enables single‐crystal data collection from grains of micrometer to sub‐micrometer dimensions subjected to pressures as high as 200 GPa. The combination of the technical development of the optical path and the sample alignment system contributes to research and gives benefits on various levels, including rapid and accurate diffraction mapping of samples with sub‐micrometer resolution at multimegabar pressures.
    Description: Facing the challenges of X‐ray diffraction from tiny samples subjected to multimegabar pressures, instrumentation developments are presented that enable, among other studies, single‐crystal data collection from micrometer‐ to sub‐micrometer‐sized grains. The developments are based on a sub‐micrometer beam capability employing compound refractive lenses operating with a phase correcting plate and a precise motorization solution.
    Keywords: ddc:548
    Language: English
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  • 3
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    Robust approaches for model‐free small‐angle scattering data analysis (2022)
    Bender, Philipp ; Honecker, Dirk ; Bersweiler, Mathias ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-10-04
    Description: The small‐angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model‐free investigation. However, due to measurement uncertainties and a restricted q range, a direct Fourier transform usually fails and results in ambiguous distributions. To circumvent these problems, different methods have been introduced to derive regularized, more stable correlation functions, with the indirect Fourier transform being the most prominent approach. Here, the indirect Fourier transform is compared with the singular value decomposition and an iterative algorithm. These approaches are used to determine the correlation function from magnetic small‐angle neutron scattering data of a powder sample of iron oxide nanoparticles; it is shown that with all three methods, in principle, the same correlation function can be derived. Each method has certain advantages and disadvantages, and thus the recommendation is to combine these three approaches to obtain robust results.
    Description: Three different approaches are compared for determination of the correlation function from the small‐angle neutron scattering data of a powder sample of iron oxide nanoparticles.
    Keywords: ddc:548
    Language: English
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  • 4
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    Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross‐correlation functions (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-06-16
    Description: A method of ab initio crystal structure determination from powder diffraction data for organic and metal–organic compounds, which does not require prior indexing of the powder pattern, has been developed. Only a reasonable molecular geometry is required, needing knowledge of neither unit‐cell parameters nor space group. The structures are solved from scratch by a global fit to the powder data using the new program FIDEL‐GO (`FIt with DEviating Lattice parameters ‐ Global Optimization'). FIDEL‐GO uses a similarity measure based on cross‐correlation functions, which allows the comparison of simulated and experimental powder data even if the unit‐cell parameters deviate strongly. The optimization starts from large sets of random structures in various space groups. The unit‐cell parameters, molecular position and orientation, and selected internal degrees of freedom are fitted simultaneously to the powder pattern. The optimization proceeds in an elaborate multi‐step procedure with built‐in clustering of duplicate structures and iterative adaptation of parameter ranges. The best structures are selected for an automatic Rietveld refinement. Finally, a user‐controlled Rietveld refinement is performed. The procedure aims for the analysis of a wide range of `problematic' powder patterns, in particular powders of low crystallinity. The method can also be used for the clustering and screening of a large number of possible structure candidates and other application scenarios. Examples are presented for structure determination from unindexed powder data of the previously unknown structures of the nanocrystalline phases of 4,11‐difluoro‐, 2,9‐dichloro‐ and 2,9‐dichloro‐6,13‐dihydro‐quinacridone, which were solved from powder patterns with 14–20 peaks only, and of the coordination polymer dichloro‐bis(pyridine‐N)copper(II).
    Description: A new method for the structure determination of molecular crystals from unindexed powder data has been developed and successfully applied. The method performs a global optimization using pattern comparison based on cross‐correlation functions.
    Keywords: ddc:548
    Language: English
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  • 5
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    Site dependence of the magnetocaloric effect in Mn5−xFexSi3 (2022)
    Ait Haddouch, Mohammed ; Abboushi, Nour ; Sharma, Neetika ; [et al.]
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-12-06
    Description: The nuclear and magnetic structures of Mn3Fe2Si3 are investigated in the temperature range from 20 to 300 K. The magnetic properties of Mn3Fe2Si3 were measured on a single crystal. The compound undergoes a paramagnetic to antiferromagnetic transition at TN2 ≃ 120 K and an antiferromagnetic to antiferromagnetic transition at TN1 ≃ 69 K. A similar sequence of magnetic phase transitions is found for the parent compound Mn5Si3 upon temperature variation, but the field‐driven transition observed in Mn5Si3 is not found in Mn3Fe2Si3, resulting in a strongly reduced magnetocaloric effect. Structurally, the hexagonal symmetry found for both compounds under ambient conditions is preserved in Mn3Fe2Si3 through both magnetic transitions, indicating that the crystal structure is only weakly affected by the magnetic phase transition, in contrast to Mn5Si3 where both transitions distort the nuclear structure. Both compounds feature a collinear high‐temperature magnetic phase AF2 and transfer into a non‐collinear phase AF1 at low temperature. While one of the distinct crystallographic sites remains disordered in the AF2 phase in the parent compound, the magnetic structure in the AF2 phase involves all magnetic atoms in Mn3Fe2Si3. These observations imply that the distinct sites occupied by the magnetic atoms play an important role in the magnetocaloric behaviour of the family.
    Description: The nuclear and magnetic structures of Mn3Fe2Si3 are determined and the magnetic properties are compared with those of the parent compound Mn5Si3. The results imply that the distinct magnetic sites play an important role in the magnetocaloric behaviour of the family. image
    Keywords: ddc:548 ; magnetocaloric effect ; magnetic structure ; neutron diffraction ; synchrotron diffraction ; site dependence
    Language: English
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  • 6
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    HTD2: a single‐crystal X‐ray diffractometer for combined high‐pressure/low‐temperature experiments at laboratory scale (2022)
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Details
    Publication Date: 2022-12-15
    Description: High‐pressure (HP) X‐ray diffraction experiments at low temperature (LT) require dedicated instruments as well as non‐standard sample environments and measuring strategies. This is especially true when helium cryogenic temperatures below 80 K are targeted. Furthermore, only experiments on single‐crystalline samples provide the prerequisites to study subtle structural changes in the p–T phase diagram under extreme LT and HP conditions in greater detail. Due to special hardware requirements, such measurements are usually in the realm of synchrotron beamlines. This contribution describes the design of an LT/HP diffractometer (HTD2) to perform single‐crystal X‐ray diffraction experiments using a laboratory source in the temperature range 400 〉 T 〉 2 K while applying pressures of up to 20 GPa.
    Description: The design and operation of a newly commissioned single‐crystal X‐ray diffractometer (HTD2) are presented. The device enables experiments under simultaneous low‐temperature and high‐pressure conditions using a laboratory X‐ray source.
    Keywords: ddc:548 ; HTD2 ; low temperature ; high pressure ; single crystals ; instrumentation
    Language: English
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  • 7
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    Significance of Upper Jurassic Sediments in the Knysana Outlier (Cape Province) for Timing of the Breakout of Gondwanaland (1971)
    Nature Publishing Group
    In:  Nature, 232 (28). pp. 37-38.
    Details
    Publication Date: 2016-04-11
    Description: Marine Upper Jurassic sediments have recently been reported from South Africa (Knysna Outlier, Cape Province) for the first time1. They occur as shallow water, sandy clays (Brenton Beds) in association with terrestrial/fluviatile conglomerates and sandstones, which were deposited in an approximately east-west elongate intermontane basin between the Cape Fold mountains (formed of Lower Palaeozoic sediments). Post-Cretaceous erosion has reduced the original deposits to a series of small, isolated outliers, only two of which have been reported to contain marine sediments (Knysna, lower Upper Jurassic; Algoa, Valanginian2) (Fig. 1). Extensive Neocomian-Maas-trichtian outcrops are known from the continental shelf off to the south of South Africa3, and a complete mid-Jurassic to Upper Cretaceous marine succession is suspected on the Agulhas Bank infilling and overlying east-west striking, fault bounded folds of Lower Palaeozoic Cape Supergroup rocks as shown in Fig. 1 (R. V. D., in preparation and refs. 1 and 4).
    Type: Article , PeerReviewed
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  • 8
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    Relative departures in July temperatures in northern Canada for the past 6,000 yr (1981)
    Nature Publishing Group
    In:  Nature, 289 (5794). pp. 164-167.
    Details
    Publication Date: 2016-04-11
    Description: There has been concern about recent temperature trends and the future effects of CO2 concentrations in the atmosphere1,2; but instrumental records only cover a few decades to a few centuries and it is essential that proxy data sources, such as pollen spectra from peats and lake sediments, be carefully interpreted as climate records. Several workers have shown statistically significant associations between the modern pollen rain and climatic parameters, an approach that by-passes the recognition of pollen/vegetation units. Statistically defined equations that associate abiotic and biotic elements are called transfer functions. We report here on the application of transfer function equations to nine middle and late Holocene peat and lake sediment sequences from northern Canada (Fig. 1).
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  • 9
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    Particulate organic carbon flux in the oceans-surface productivity and oxygen utilization (1980)
    Nature Publishing Group
    In:  Nature, 288 (5788). pp. 260-263.
    Details
    Publication Date: 2016-03-01
    Description: Organic detritus passing from the sea surface through the water column to the sea floor controls nutrient regeneration, fuels benthic life and affects burial of organic carbon in the sediment record. Particle trap systems have enabled the first quantification of this important process. The results suggest that the dominant mechanism of vertical transport is by rapid settling of rare large particles, most likely of faecal pellets or marine snow of the order of 〉200 μm in diameter, whereas the more frequent small particles have an insignificant role in vertical mass flux4–6. The ultimate source of organic detritus is biological production in surface waters of the oceans. I determine here an empirical relationship that predicts organic carbon flux at any depth in the oceans below the base of the euphotic zone as a function of the mean net primary production rate at the surface and depth-dependent consumption. Such a relationship aids in estimating rates of decay of organic matter in the water column, benthic and water column respiration of oxygen in the deep sea and burial of organic carbon in the sediment record.
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  • 10
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    Variability of the thermohaline staircase (1973)
    Nature Publishing Group
    In:  Nature, 244 (131). pp. 11-12.
    Details
    Publication Date: 2018-03-02
    Description: STEP-LIKE structures in temperature and salinity beneath the Mediterranean water have been observed in the Eastern Atlantic1–6. In Fig. 1 we show the stations where steps have been found in the area to the west of Gibraltar. Salt fingering as a result of double diffusive processes has been suggested as a possible cause for the generation of such step-like structures7. During cruise No. 23 of RV Meteor in 1971 we intended to study the small scale features of such structures8. Some previous observations6 in August/September 1970 had revealed an extensive zone where a “thermohaline staircase” existed (Fig. 1). We therefore selected stations in this area and close to it for the proposed study. A high resolution in situ conductivity-temperature-depth meter of the “Kieler Multi-Meeressonde” type was used for the vertical profiling of temperature and salinity.
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  • 11
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    Meandering of the subtropical front south-east of the Azores (1982)
    Nature Publishing Group
    In:  Nature, 300 (5889). pp. 245-246.
    Details
    Publication Date: 2018-03-08
    Description: A subtropical front was observed in the area south and southeast of the Azores during cruises of FS Meteor and FS Poseidon in early 1982. The front has a basically west–east extension, with considerable meandering observed. Meso-scale eddies are found on both sides. The overall flow pattern corresponds to earlier results on geopotential differences in the upper northeast Atlantic, but the baroclinic transport of the order of 107 m3 s−1 is found to be concentrated in a 60-km wide jet. We suggest here that the current band is part of the gyre circulation, resulting from a branching of the North Atlantic Current.
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  • 12
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    Fluxes of biogenic components from sediment trap deployment in circumpolar waters of the Drake Passage (1982)
    Nature Publishing Group
    In:  Nature, 299 (5879). pp. 145-147.
    Details
    Publication Date: 2019-01-21
    Description: Circumpolar surface waters dominate the circulation of the Southern Ocean and sustain one of the ocean's largest standing stocks of biomass thereby producing a significant output of biogenic components, mainly diatoms, to the bottom sediments. Generally transit of biogenic matter from the sea surface to the sea floor affects nutrient regeneration fuels benthic life and transfers signals to the sediment record1–5. Reliable quantification of the relationship between biological production, fractionation of skeletal and tissue components and bottom sediment accumulation depends on direct vertical flux measurements from sediment trap deployments6–9, which have proved to be most scientifically productive10–13. We now present data on vertical mass fluxes from the Southern Ocean and evidence for strong biogeochemical fractionation between organic carbon-, nitrogen- and phosphorus-containing compounds, siliceous and calcareous skeletal remains, and refractory aluminosilicates.
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  • 13
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    Glacial and interglacial wind regimes over the eastern subtropical Atlantic and North-West Africa (1981)
    Nature Publishing Group
    In:  Nature, 293 (5829). pp. 193-196.
    Details
    Publication Date: 2016-09-02
    Description: Analysis of aeolo-marine dust deposits in the subtropical eastern Atlantic enables the strength of the major wind patterns during the late Quaternary to be evaluated and gives an insight into the climate of North Africa.
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  • 14
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    New Technique for the Study of Sperm Whale Migration (1972)
    Nature Publishing Group
    In:  Nature, 238 (5364). pp. 405-406.
    Details
    Publication Date: 2016-09-14
    Description: In the southern hemisphere, female and young male sperm whales (up to about 39 feet long) are not normally found in higher latitudes than 40° S while large males occur in Antarctic waters1–3; clearly many large bulls must migrate from the breeding areas into colder regions. Evidence of the return of large bulls to lower latitudes rests upon marking them in the Antarctic4 or external infestation by Antarctic Cocconeis or Cyamus 5. Only a single mark5 has been recovered which provides direct evidence for the return north from Antarctic waters. This mark (USSR No. 650203) was fired on December 25, 1967, at 62° 22′ S 26° 25′ E and the whale was killed on May 13, 1968, off Durban. The small size of the male concerned (35 feet at death) makes this record rather surprising although Jonsgård6 did mention that the smallest whales from Antarctic waters were about 35 feet. Marking can provide information on only a small part of the whale population at considerable cost, freshness of the whale restricts the value of infestation as an indicator but the study of food remnants in sperm whale stomachs provides another method without these disadvantages.
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  • 15
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    The first fossil cephalopod statoliths to be described from Europe (1980)
    Nature Publishing Group
    In:  Nature, 287 (5783). pp. 628-630.
    Details
    Publication Date: 2016-11-15
    Description: Statoliths of cephalopods are small, hard calcareous stones which lie within the cartilaginous skulls of octopods, sepioids and teuthoids1. Fossil statoliths, clearly belonging to genera which are alive today, have previously been described from 11 Cenozoic deposits spanning from the Eocene to the Pleistocene in North America2–5. Such statoliths are of particular interest because they provide a means of studying the evolution of living cephalopod groups which have no calcareous shells, including the cosmopolitan and numerous teuthoids and octopods. Here, the first cephalopod statoliths to be recognized in European deposits are described and identified as Loligo sp. They are compared with the North American fossil Loligo species and statoliths removed from the two living Loligo species of Europe.
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  • 16
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    Mantle plume noble gas component in glassy basalts from Reykjanes Ridge (1983)
    Nature Publishing Group
    In:  Nature, 305 (5933). pp. 403-407.
    Details
    Publication Date: 2016-11-23
    Description: Basalts from the Reykjanes Ridge contain noble gases delivered from the non-degassed lower mantle by the Iceland plume. These lower mantle gases are thought to be a mixture of planetary and solar components, as would be expected if the Earth accreted from fine silicate particles.
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  • 17
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    Giant squids may die when exposed to warm water currents (1983)
    Nature Publishing Group
    In:  Nature, 303 (5916). pp. 422-423.
    Details
    Publication Date: 2019-04-16
    Description: Strandings of the giant squid, Architeuthis monachus (Steen-strup), have always stirred attention because of the rarity and enormous size of these cephalopods. These animals have never been observed in their natural habitat and little is known about their physiology and ecology. Stranding of giant squids in Newfoundland waters has been correlated with the inflow of warm water, suggesting that increased temperature may be causing their death1. Squids have also been carried to the Norwegian coast with the warm North Atlantic current2 and on 23 August 1982 a live specimen was caught off Radöy near Bergen, Norway (Fig. 1). This catch gave an unprecedented opportunity to study the effects of temperature on the oxygen binding properties of blood from the giant squid. The present finding of an excess of a fourfold decrease in O2 affinity when temperature is increased from 6.4 to 15°C strongly suggests that giant squids may suffocate from arterial desaturation when increased ambient temperatures are experierced.
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  • 18
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    Oceanic Fracture Zones (1984)
    Nature Publishing Group
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    Publication Date: 2024-06-06
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