ALBERT

Description: We demonstrate both theoretically and experimentally that the microwave-shielding effectiveness of a double-layer metallic mesh with a submillimeter period can be improved by increasing the separation between the two mesh layers (without affecting transmittance). This double-layer mesh consists of two layers of square aluminum mesh separated by a quartz-glass substrate. By increasing the substrate's optical thickness from zero to λ / 4   of the shielding band's upper frequency, the shielding of the double-layer mesh improves considerably, owing to the increased reflectivity of the double-layer mesh with increasing separation in the low-frequency band. A Ku-band shielding effectiveness of over 32 dB is observed for the double-layer mesh with a normalized visible transmittance greater than 91%. It is found that the electromagnetic shielding effectiveness is enhanced by over 7 dB (80.0% energy attenuation) across the Ku-band, compared with that of a single-layer mesh, while the optical transmittances are almost identical for both tested structures. Such an enhancement permits the design of high-transparency optical elements with stronger microwave shielding that can be achieved using single-layer metallic mesh.

Description: This letter performed polarized microscopic laser Raman scattering spectroscopy on the curved edges of transferred epitaxial graphene on SiO 2 /Si. The intensity ratio between the parallel and perpendicular polarized D band is evolved, providing a spectroscopy-based technique to probe the atomic-scale edge structures in graphene. A detailed analysis procedure for non-ideal disordered curved edges of graphene is developed combining the atomic-scale zigzag and armchair edge structures along with some point defects. These results could provide valuable information of the realistic edges of graphene at the atomic-scale that can strongly influence the performance of graphene-based nanodevices.

Description: In this paper, we explore the effects of electrostatic parametric amplification on a high quality factor (Q 〉 100 000) encapsulated disk resonator gyroscope (DRG), fabricated in 〈100〉 silicon. The DRG was operated in the n = 2 degenerate wineglass mode at 235 kHz, and electrostatically tuned so that the frequency split between the two degenerate modes was less than 100 mHz. A parametric pump at twice the resonant frequency is applied to the sense axis of the DRG, resulting in a maximum scale factor of 156.6  μ V/(°/s), an 8.8× improvement over the non-amplified performance. When operated with a parametric gain of 5.4, a minimum angle random walk of 0.034°/√h and bias instability of 1.15°/h are achieved, representing an improvement by a factor of 4.3× and 1.5×, respectively.

Description: We propose a control element for a Josephson spin valve. It is a complex Josephson device containing ferromagnetic (F) layer in the weak-link area consisting of two regions, representing 0 and π Josephson junctions, respectively. The valve's state is defined by mutual orientations of the F-layer magnetization vector and boundary line between 0 and π sections of the device. We consider possible implementation of the control element by introduction of a thin normal metal layer in a part of the device area. By means of theoretical simulations, we study properties of the valve's structure as well as its operation, revealing such advantages as simplicity of control, high characteristic frequency, and good legibility of the basic states.

Description: Thin films of the lead-free ferroelectric Na 0.5 Bi 0.5 TiO 3 grown on thin-film Pt electrodes supported by SrTiO 3 substrates have a complex microstructure consisting of crystalline grains with three distinct major crystallographic orientations. The piezoelectric response measured in spatially separated sub-micron grains using time-resolved synchrotron x-ray microdiffraction is highly inhomogeneous even among grains sharing the same major orientation. The piezoelectric coefficient d 33 varies by nearly a factor of two in a series of areas sharing the 〈001〉 orientation. The piezoelectric inhomogeneity is linked to the peculiar microstructure of the film, arising from local variations in the stress imposed by surrounding grains with different crystallographic orientations and differing directions of the ferroelectric remnant polarization. A systematic nonlinearity of the piezoelectric strain is observed in applied electric fields with small magnitudes in all regions, consistent with the coexistence of domains of differing polarization direction at zero applied electric field.

Description: In a recent article, Serov et al. [J. Appl. Phys. 116 , 034507 (2014)] claim: “This study represents the first time that the high-field behavior in graphene on a substrate was investigated taking into account intrinsic graphene properties,” ignoring the most recent anisotropic distribution function [V. K. Arora et al ., J. Appl. Phys. 112 , 114330 (2012)] also published in J. Appl. Phys., targeting the same experimental data [V. E. Dorgan et al. , Appl. Phys. Lett. 97 , 082112 (2010)]. The claim of Serov et al. of being first is refuted and many shortcomings of the hydrodynamic model for a highly quantum and degenerate graphene nanolayer are pointed out.

Description: Fe thin films were deposited on sodium chloride (NaCl) substrates using magnetron sputtering to investigate means of texture control in free standing metal films. The Fe thin films were studied using transmission electron microscopy equipped with automated crystallographic orientation microscopy. Using this technique, the microstructure of each film was characterized in order to elucidate the effects of altering deposition parameters. The natural tendency for Fe films grown on (100) NaCl is to form a randomly oriented nanocrystalline microstructure. By careful selection of substrate and deposition conditions, it is possible to drive the texture of the film toward a single (100) orientation while retaining the nanocrystalline microstructure.

Description: The current paper reports successful syntheses of Ni–TiN composite coatings by pulse electrodeposition. The effect of pulse frequency on the microstructures, nanomechanical, and wear properties of the coatings was investigated using transmission electron microscopy, X–ray diffraction, nanoindenter, scanning electron microscopy, and wear test instrument. The results showed that the Ni–TiN composite coating prepared at the pulse frequency of 100 Hz showed the presence of a less number of TiN particles and some degrees of aggregation in micro-regions. By contrast, in the Ni–TiN coating deposited at the pulse frequency of 500 Hz, the TiN particles were large in number and dispersed homogeneously, thereby, offering the coating a uniform and fine structure. The average grain diameters of Ni and TiN in the coating prepared at 100 Hz were 154.7 and 44.8 nm, respectively, whereas those for the coating prepared at 500 Hz were 67.3 and 25.9 nm, respectively. The maximum TiN content in the Ni-TiN coating deposited at 800 Hz was approximately 10.5 wt. %. The maximum microhardness and the Young's modulus values for the Ni–TiN composite coatings deposited at 800 Hz were 35.7 GPa and 167.4 GPa, respectively. Furthermore, the Ni–TiN composite coating prepared at 100 Hz had more severe damages, whereas the morphologies of worn surface of the coatings deposited at 500 Hz and 800 Hz were smooth and only a few small pits appeared on the surface.

Description: Excited states and the ground state of the diatomic molecule RbSr were calculated by post Hartree-Fock molecular orbital theory up to 22 000 cm −1 . We applied a multireference configuration interaction calculation based on multiconfigurational self-consistent field wave functions. Both methods made use of effective core potentials and core polarization potentials. Potential energy curves, transition dipole moments, and permanent electric dipole moments were determined for RbSr and could be compared with other recent calculations. We found a good agreement with experimental spectra, which have been obtained recently by helium nanodroplet isolation spectroscopy. For the lowest two asymptotes (Rb (5 s 2 S) + Sr (5 s 4 d 3 P°) and Rb (5 p 2 P°) + Sr (5 s 2 1 S)), which exhibit a significant spin-orbit coupling, we included relativistic effects by two approaches, one applying the Breit-Pauli Hamiltonian to the multireference configuration interaction wave functions, the other combining a spin-orbit Hamiltonian and multireference configuration interaction potential energy curves. Using the results for the relativistic potential energy curves that correspond to the Rb (5 s 2 S) + Sr (5 s 4 d 3 P°) asymptote, we have simulated dispersed fluorescence spectra as they were recently measured in our lab. The comparison with experimental data allows to benchmark both methods and demonstrate that spin-orbit coupling has to be included for the lowest states of RbSr.

Description: Ozonolysis of alkenes, a principle non-photolytic source of atmospheric OH radicals, proceeds through unimolecular decay of energized carbonyl oxide intermediates, known as Criegee intermediates. In this work, cold dimethyl-substituted Criegee intermediates are vibrationally activated in the CH stretch overtone region to drive the 1,4 hydrogen transfer reaction that leads to OH radical products. IR excitation of (CH 3 ) 2 COO reveals the vibrational states with sufficient oscillator strength, coupling to the reaction coordinate, and energy to surmount the effective barrier (≤ 16.0 kcal mol −1 ) to reaction. Insight on the dissociation dynamics is gleaned from homogeneous broadening of the spectral features, indicative of rapid intramolecular vibrational energy redistribution and/or reaction, as well as the quantum state distribution of the OH X 2 Π (v = 0) products. The experimental results are compared with complementary electronic structure calculations, which provide the IR absorption spectrum and geometric changes along the intrinsic reaction coordinate. Additional theoretical analysis reveals the vibrational modes and couplings that permit (CH 3 ) 2 COO to access to the transition state region for reaction. The experimental and theoretical results are compared with an analogous recent study of the IR activation of syn -CH 3 CHOO and its unimolecular decay to OH products [F. Liu, J. M. Beames, A. S. Petit, A. B. McCoy, and M. I. Lester, Science345, 1596 (2014)].

Description: In the present work, the structural and dynamic properties of liquid and undercooled boron are investigated by means of ab initio molecular dynamics simulation. Our results show that both liquid and undercooled states present a well pronounced short-range order (SRO) mainly due to the formation of inverted umbrella structural units. Moreover, we observe the development of a medium-range order (MRO) in the undercooling regime related to the increase of inverted umbrella structural units and of their interconnection as the temperature decreases. We also evidence that this MRO leads to a partial crystallization in the β-rhombohedral crystal below T = 1900 K. Finally, we discuss the role played by the SRO and MRO in the nearly Arrhenius evolution of the diffusion and the non-Arrhenius temperature dependence of the shear viscosity, in agreement with the experiment.

Description: The properties of dipolar cubic lattices are studied and the paradox of how to obtain a long range polarization in such lattices is resolved by choosing a proper shape of the total system. It has been shown that large but finite number of aligned dipoles prefer to exist as needle shaped macroscopic particles [M. Yoon and D. Tománek, J. Phys.: Condens. Matter22, 455105 (2010)]. The total energy for a particle in such a system has one short range contribution depending on the packing (the chosen lattice) and one long range term depending on the dipole density of the system. We show that the latter term corresponds exactly to the polarization term from a dielectric medium embedding a sphere of the considered system. There is no need to include a dielectric medium in this modeling and the “dielectric stabilization” is generated solely by the dipoles of the system.

Description: A practical hyperdynamics method is proposed to accelerate systems with highly endothermic and exothermic reactions such as hydrocarbon pyrolysis and oxidation reactions. In this method, referred to as the “adaptive hyperdynamics (AHD) method,” the bias potential parameters are adaptively updated according to the change in potential energy. The approach is intensively examined for JP-10 (exo-tetrahydrodicyclopentadiene) pyrolysis simulations using the ReaxFF reactive force field. Valid boost parameter ranges are clarified as a result. It is shown that AHD can be used to model pyrolysis at temperatures as low as 1000 K while achieving a boost factor of around 10 5 .

Description: E -crotonic acid was isolated in cryogenic solid N 2 and xenon matrices, and subjected to Laser ultraviolet (UV) and near-infrared (NIR) irradiations. In the deposited matrices, the two low-energy cis C–O E -cc and E -ct conformers, which are the only forms significantly populated in the gas phase, were observed. UV irradiation (λ= 250 nm) of the compound in N 2 matrix allows for experimental detection, not just of the two low-energy cis C–O isomers of Z -crotonic acid previously observed in the experiments carried out in argon matrix [ Z -cc and Z -ct; R. Fausto, A. Kulbida, and O. Schrems, J. Chem. Soc., Faraday Trans.91, 3755–3770 (1995)] but also of the never observed before high-energy forms of both E - and Z -crotonic acids bearing the carboxylic acid group in the trans arrangement ( E -tc and Z -tc conformers). In turn, NIR irradiation experiments in the N 2 matrix allow to produce the high-energy E -tc trans C–O conformer in a selective way, from the initially deposited E -cc form. The vibrational signatures of all the 6 rotameric structures of the crotonic acids experimentally observed, including those of the new trans C–O forms, were determined and the individual spectra fully assigned, also with support of theoretically obtained data. On the other hand, as found before for the compound isolated in argon matrix, the experiments performed in xenon matrix failed to experimental detection of the trans C–O forms. This demonstrates that in noble gas matrices these forms are not stable long enough to allow for their observation by steady state spectroscopy techniques. In these matrices, the trans C–O forms convert spontaneously into their cis C–O counterparts, by tunnelling. Some mechanistic details of the studied processes were extracted and discussed.

Description: We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within a subsystem-density functional theory based embedding scheme, subset electric dipole moments are derived without any additional localization procedure, both for hybrid and non-hybrid exchange–correlation functionals. This opens the way to a computationally efficient evaluation of local electric dipole moments in (molecular) periodic systems as well as their rigorous splitting into atomic electric dipole moments. As examples, Infrared spectra of liquid ethylene carbonate and dimethyl carbonate are presented, which are commonly employed as solvents in Lithium ion batteries.

Description: The collision-less transfer of momentum and energy from explosive debris plasma to magnetized background plasma is a salient feature of various astrophysical and space environments. While much theoretical and computational work has investigated collision-less coupling mechanisms and relevant parameters, an experimental validation of the results demands the measurement of the complex, collective electric fields associated with debris-background plasma interaction. Emission spectroscopy offers a non-interfering diagnostic of electric fields via the Stark effect. A unique experiment at the University of California, Los Angeles, that combines the Large Plasma Device (LAPD) and the Phoenix laser facility has investigated the marginally super-Alfvénic, quasi-perpendicular expansion of a laser-produced carbon (C) debris plasma through a preformed, magnetized helium (He) background plasma via emission spectroscopy. Spectral profiles of the He II 468.6 nm line measured at the maximum extent of the diamagnetic cavity are observed to intensify, broaden, and develop equally spaced modulations in response to the explosive C debris, indicative of an energetic electron population and strong oscillatory electric fields. The profiles are analyzed via time-dependent Stark effect models corresponding to single-mode and multi-mode monochromatic (single frequency) electric fields, yielding temporally resolved magnitudes and frequencies. The proximity of the measured frequencies to the expected electron plasma frequency suggests the development of the electron beam-plasma instability, and a simple saturation model demonstrates that the measured magnitudes are feasible provided that a sufficiently fast electron population is generated during C debris–He background interaction. Potential sources of the fast electrons, which likely correspond to collision-less coupling mechanisms, are briefly considered.

Description: It is shown that co-linear injection of electrons or positrons into the wakefield of the self-modulating particle beam is possible and ensures high energy gain. The witness beam must co-propagate with the tail part of the driver, since the plasma wave phase velocity there can exceed the light velocity, which is necessary for efficient acceleration. If the witness beam is many wakefield periods long, then the trapped charge is limited by beam loading effects. The initial trapping is better for positrons, but at the acceleration stage a considerable fraction of positrons is lost from the wave. For efficient trapping of electrons, the plasma boundary must be sharp, with the density transition region shorter than several centimeters. Positrons are not susceptible to the initial plasma density gradient.

Description: The foundational theory for dusty plasmas is the dust charging theory that provides the dust potential and charge arising from the dust interaction with a plasma. The most widely used dust charging theory for negatively charged dust particles is the so-called orbital motion limited (OML) theory, which predicts the dust potential and heat collection accurately for a variety of applications, but was previously found to be incapable of evaluating the dust charge and plasma response in any situation. Here, we report a revised OML formulation that is able to predict the plasma response and hence the dust charge. Numerical solutions of the new OML model show that the widely used Whipple approximation of dust charge-potential relationship agrees with OML theory in the limit of small dust radius compared with plasma Debye length, but incurs large (order-unity) deviation from the OML prediction when the dust size becomes comparable with or larger than plasma Debye length. This latter case is expected for the important application of dust particles in a tokamak plasma.

Description: We report on the controlled removal of an amorphous Se capping layer from Bi 2 Te 3 and Bi 2 Se 3 topological insulators. We show that the Se coalesces into micron-sized islands before desorbing from the surface at a temperature of ∼150 °C. In situ Auger Electron Spectroscopy reveals that Se replaces a significant fraction of the Te near the top surface of the Bi 2 Te 3 . Rutherford Backscattering Spectrometry and Transmission Electron Microscopy show that after heating, Se has been incorporated in the Bi 2 Te 3 lattice down to ∼7 nm from its top surface while remaining iso-structural.

Description: A system of generating and receiving orbital angular momentum (OAM) radio beams, which are collectively formed by two circular array antennas (CAAs) and effectively optimized by two intensity controlled masks, is proposed and experimentally investigated. The scheme is effective in blocking of the unwanted OAM modes and enhancing the power of received radio signals, which results in the capacity gain of system and extended transmission distance of the OAM radio beams. The operation principle of the intensity controlled masks, which can be regarded as both collimator and filter, is feasible and simple to realize. Numerical simulations of intensity and phase distributions at each key cross-sectional plane of the radio beams demonstrate the collimated results. The experimental results match well with the theoretical analysis and the receive distance of the OAM radio beam at radio frequency (RF) 20 GHz is extended up to 200 times of the wavelength of the RF signals, the measured distance is 5 times of the original measured distance. The presented proof-of-concept experiment demonstrates the feasibility of the system.

Description: We demonstrate chemical doping of a topological insulator Bi 2 Se 3 using ion implantation. Ion beam-induced structural damage was characterized using grazing incidence X-ray diffraction and transmission electron microscopy. Ion damage was reversed using a simple thermal annealing step. Carrier-type conversion was achieved using ion implantation followed by an activation anneal in Bi 2 Se 3 thin films. These two sets of experiments establish the feasibility of ion implantation for chemical modification of Bi 2 Se 3 , a prototypical topological insulator. Ion implantation can, in principle, be used for any topological insulator. The direct implantation of dopants should allow better control over carrier concentrations for the purposes of achieving low bulk conductivity. Ion implantation also enables the fabrication of inhomogeneously doped structures, which in turn should make possible new types of device designs.

Description: Scanning near-field photoluminescence (PL) spectroscopy was applied to study spatial variations of emission spectra of Al x Ga 1−x N epilayers with 0.6 ≤ x ≤ 0.7 . PL spectra were found to be spatially uniform with peak wavelength standard deviations of only ∼2 meV and ratios between peak intensity standard deviations and average peak intensity values of 0.06. The observed absence of correlation between the PL peak wavelength and intensity shows that spatial distribution of nonradiative recombination centers is not related to band potential fluctuations. Our results demonstrate that the homogeneous broadening and the random cation distribution primarily determine PL linewidths for layers grown under optimized conditions.

Description: Using the ideal magnetohydrodynamic model, we calculate the temporal evolution of initial ripples on the boundaries of a planar plasma slab that is subjected to the magneto-Rayleigh-Taylor instability. The plasma slab consists of three regions. We assume that in each region the plasma density is constant with an arbitrary value and the magnetic field is also constant with an arbitrary magnitude and an arbitrary direction parallel to the interfaces. Thus, the instability may be driven by a combination of magnetic pressure and kinetic pressure. The general dispersion relation is derived, together with the feedthrough factor between the two interfaces. The temporal evolution is constructed from the superposition of the eigenmodes. Previously established results are recovered in the various limits. Numerical examples are given on the temporal evolution of ripples on the interfaces of the finite plasma slab.

Description: by The PLOS ONE Staff

Description: by Susanna B. Kümmell, Eberhard Frey The mobility of ray I was analysed in seventy-eight Early Permian to Late Cretaceous specimens of non-mammalian Synapsida and one extant mammal. In all non-mammaliamorph Synapsida investigated, ray I formed a digital arcade. The first phalanx was maximally extendable to the zero position in the metapodiophalangeal joint I. Metapodiale I was the functional equivalent to a basal phalanx of digits II–V. In contrast, there was no digital arcade in ray I in Mesozoic Mammaliamorpha. Phalanx 1 I was dorsally extendable and metapodiale I was functionally part of the metapodium. During the propulsion phase, autopodial rotation occurred in the majority of Synapsida with abducted limb posture. Regarding ray I, the reduction of autopodial rotation can be estimated, e.g., from the decrease of lateral rotation and medial abduction of the first phalanx in the metapodiophalangeal joint I. Autopodial rotation was high in Titanophoneus and reduced in derived Cynodontia. In Mammaliamorpha the mobility of the first ray suggests autopodial rolling in an approximately anterior direction. Most non-mammaliamorph Therapsida and probably some Mesozoic Mammaliamorpha had prehensile autopodia with an opposable ray I. In forms with a pronounced relief of the respective joints, ray I could be opposed to 90° against ray III. A strong transverse arch in the row of distalia supported the opposition movement of ray I and resulted in a convergence of the claws of digits II–V just by flexing those digits. A tight articular coherence in the digital joints of digits II–V during strong flexion supported a firm grip capacity. Usually the grip capacity was more pronounced in the manus than in the pes. Prehensile autopodia of carnivorous Therapsida may have been utilized to hold prey while biting, thus helping to avoid fractures of the laterally compressed fangs.

Description: We demonstrate direct evidence that the strain variation induced by local lattice distortion exists in the surface layers of SnO 2 nanowires by coupled scanning transmission electron microscopy and digital image correlation techniques. First-principles calculations suggest that surface reduction and subsurface oxygen vacancies account for such vigorous wavelike strain. Our study revealed that the localized change of surface atomistic configuration was responsible for the observed reduction of elastic modulus and hardness of SnO 2 nanowires, as well as the superior sensing properties of SnO 2 nanowire network.

Description: Complementary logic based on tunnel field-effect transistors (TFETs) would drastically reduce power consumption thanks to the TFET's potential to obtain a sub-60 mV/dec subthreshold swing (SS). However, p-type TFETs typically do not meet the performance of n-TFETs for direct bandgap III-V configurations. The p-TFET SS stays well above 60 mV/dec, due to the low density of states in the conduction band. We therefore propose a source configuration in which a highly doped region is maintained only near the tunnel junction. In the remaining part of the source, the hot carriers in the exponential tail of the Fermi-Dirac distribution are blocked by reducing the doping degeneracy, either with a source section with a lower doping concentration or with a heterostructure. We apply this concept to n-p-i-p configurations consisting of In 0.53 Ga 0.47 As and an InP-InAs heterostructure. 15-band quantum mechanical simulations predict that the configurations with our source design can obtain sub-60 mV/dec SS, with an on-current comparable to the conventional source design.

Description: We design and experimentally realize an ultra-broad band metamaterial-based acoustic absorption material. Unlike traditional acoustic absorbers, the designed device features a simple configuration unrestricted by the material type and does not require extra sound-absorbing materials, suggesting the potential to have simultaneously structural-stiffness and environmental-friendliness. Analytical analyses are provided to explain such distinct characteristics, which are revealed to stem from the localization and dissipation of waves with different frequencies at particular spatial positions. This is also demonstrated both numerically and experimentally. Our results may offer possible designs for various applications such as noise reduction and making underwater anechoic materials.

Description: The absolute photoluminescence (PL) quantum yield (QY) of multilayers of Silicon nanocrystals (SiNCs) separated by SiO 2 barriers were thoroughly studied as function of the barrier thickness, excitation wavelength, and temperature. By mastering the plasma-enhanced chemical vapor deposition growth, we produce a series of samples with the same size-distribution of SiNCs but variable interlayer barrier distance. These samples enable us to clearly demonstrate that the increase of barrier thickness from ∼1 to larger than 2 nm induces doubling of the PL QY value, which corresponds to the change of number of close neighbors in the hcp structure. The temperature dependence of PL QY suggests that the PL QY changes are due to a thermally activated transport of excitation into non-radiative centers in dark NCs or in the matrix. We estimate that dark NCs represent about 68% of the ensemble of NCs. The PL QY excitation spectra show no significant changes upon changing the barrier thickness and no clear carrier multiplication effects. The dominant effect is the gradual decrease of the PL QY with increasing excitation photon energy.

Description: High-quality BN-Graphene-BN nanoribbon capacitors with double side-gates of graphene have been experimentally realized. The double side-gates can effectively modulate the electronic properties of graphene nanoribbon capacitors. By applying anti-symmetric side-gate voltages, we observed significant upward shifting and flattening of the V-shaped capacitance curve near the charge neutrality point. Symmetric side-gate voltages, however, only resulted in tilted upward shifting along the opposite direction of applied gate voltages. These modulation effects followed the behavior of graphene nanoribbons predicted theoretically for metallic side-gate modulation. The negative quantum capacitance phenomenon predicted by numerical simulations for graphene nanoribbons modulated by graphene side-gates was not observed, possibly due to the weakened interactions between the graphene nanoribbon and side-gate electrodes caused by the Ga + beam etching process.

Description: GaAs/Al-GaAs core-shell nanowires fabricated by molecular beam epitaxy contain quantum confining structures susceptible of producing narrow photoluminescence (PL) and single photons. The nanoscale chemical mapping of these structures is analyzed in 3D by atom probe tomography (APT). The study allows us to confirm that Al atoms tend to segregate within the AlGaAs shells towards the vertices of the hexagons defining the nanowire cross section. We also find strong alloy fluctuations remaining AlGaAs shell, leading occasionally to the formation of quantum dots (QDs). The PL emission energies predicted in the framework of a 3D effective mass model for a QD analyzed by APT and the PL spectra measured on other nanowires from the same growth batch are consistent within the experimental uncertainties.

Description: Rectilinear deposition of elongated DNA molecules was achieved by the forced dewetting of a DNA solution droplet over a nanograting. Uncoiling of double stranded DNA is made by the conjunction of both DNA terminal anchoring on a functionalized substrate and capillary force acting throughout the forced dewetting of a DNA solution droplet. The deposition over a nanograting allows the molecule to be uncoiled on the edges of the grooves and to maintain a rectilinear conformation. This DNA deposition technique uses transparent nanograting obtained by laser interference lithography and has been developed for the specific need in observation dsDNA molecules in extended conformation.

Description: Perfectly lattice-matched magnetic tunnel junctions (MTJs) consisting of a Heusler alloy B 2-Co 2 FeAl (CFA) electrode and a cation-disorder spinel (Mg-Al-O) barrier were fabricated by sputtering and plasma oxidation. We achieved a large tunnel magnetoresistance (TMR) ratio of 228% at room temperature (RT) (398% at 5 K) for the epitaxial CFA/MgAl-O/CoFe(001) MTJ, in which the effect of lattice defects on TMR ratios is excluded. With inserting a ultrathin (≤1.5 nm) CoFe layer between the CFA and Mg-Al-O, the TMR ratio further increased up to 280% at RT (453% at 5 K), which reflected the importance of controlling barrier-electrode interface states other than the lattice matching.

Description: by Katy Jeannot, Laure Diancourt, Sophie Vaux, Michelle Thouverez, Amandina Ribeiro, Bruno Coignard, Patrice Courvalin, Sylvain Brisse Carbapenem-resistant Acinetobacter baumannii have emerged globally. The objective of this study was to investigate the epidemiology, clonal diversity and resistance mechanisms of imipenem non-susceptible A. baumannii isolates in France. Between December 2010 and August 2011, 132 notifications were collected, including 37 outbreaks corresponding to 242 cases (2 to 55 per cluster). Multilocus sequence typing, pulsed-field gel electrophoresis (PFGE) and characterisation of carbapenemase-encoding genes were performed on 110 non-repetitive isolates. Gene bla OXA-23 was the most frequently detected (82%), followed by bla OXA-24 (11%) and bla OXA-58 (7%). Eleven sequence types (ST) were distinguished, among which sequence types ST1, ST2 (64%), ST20, ST25, ST85 and ST107. Isolates from epidemiological clusters had the same ST and resistance genes, indicating probable transmission within centres. In contrast, PFGE types of isolates differed among centres, arguing against transmission among centers. This study provides the first epidemiological snapshot of the population of A. baumannii with reduced susceptibility to carbapenems from France, and further underlines the predominance of international clones.

Description: by Stephen Yip, Keisha McCall, Michalis Aristophanous, Aileen B. Chen, Hugo J. W. L. Aerts, Ross Berbeco Background PET-based texture features have been used to quantify tumor heterogeneity due to their predictive power in treatment outcome. We investigated the sensitivity of texture features to tumor motion by comparing static (3D) and respiratory-gated (4D) PET imaging. Methods Twenty-six patients (34 lesions) received 3D and 4D [ 18 F]FDG-PET scans before the chemo-radiotherapy. The acquired 4D data were retrospectively binned into five breathing phases to create the 4D image sequence. Texture features, including Maximal correlation coefficient (MCC), Long run low gray (LRLG), Coarseness, Contrast, and Busyness, were computed within the physician-defined tumor volume. The relative difference (δ 3D-4D ) in each texture between the 3D- and 4D-PET imaging was calculated. Coefficient of variation (CV) was used to determine the variability in the textures between all 4D-PET phases. Correlations between tumor volume, motion amplitude, and δ 3D-4D were also assessed. Results 4D-PET increased LRLG ( = 1%–2%, p

Description: by Leen Vandercammen, Joeri Hofmans, Peter Theuns Despite the fact that studies on self-determination theory have traditionally disregarded the explicit role of emotions in the motivation eliciting process, research attention for the affective antecedents of motivation is growing. We add to this emerging research field by testing the moderating role of emotion differentiation –individual differences in the extent to which people can differentiate between specific emotions– on the relationship between twelve specific emotions and intrinsic motivation. To this end, we conducted a daily diary study ( N  = 72) and an experience sampling study ( N  = 34). Results showed that the relationship between enthusiasm, cheerfulness, optimism, contentedness, gloominess, miserableness, uneasiness (in both studies 1 and 2), calmness, relaxation, tenseness, depression, worry (only in Study 1) on one hand and intrinsic motivation on the other hand was moderated by positive emotion differentiation for the positive emotions and by negative emotion differentiation for the negative emotions. Altogether, these findings suggest that for people who are unable to distinguish between different specific positive emotions the relationship between those specific positive emotions and intrinsic motivation is stronger, whereas the relationship between specific negative emotions and intrinsic motivation is weaker for people who are able to distinguish between the different specific negative emotions. Theoretical and practical implications are discussed.

Description: by Lesley J. J. Soril, Laura E. Leggett, Diane L. Lorenzetti, James Silvius, Duncan Robertson, Lynne Mansell, Jayna Holroyd-Leduc, Tom W. Noseworthy, Fiona M. Clement Objective To determine the effectiveness of built environment interventions in managing behavioural and psychological symptoms of dementia (BPSD) among residents in long-term care settings. Methods Systematic review of literature published from 1995–2013. Studies were included if they: were randomized controlled trials, quasi-experimental trials, or comparative cohort studies; were in long-term or specialized dementia care; included residents with dementia and BPSD; and examined effectiveness of a built environment intervention on frequency and/or severity of BPSD. Quality of included studies was assessed using the Downs and Black Checklist. Study design, patient population, intervention, and outcomes were extracted and narratively synthesized. Results Five low to moderate quality studies were included. Three categories of interventions were identified: change/redesign of existing physical space, addition of physical objects to environment, and type of living environment. One of the two studies that examined change/redesign of physical spaces reported improvements in BPSD. The addition of physical objects to an existing environment (n = 1) resulted in no difference in BPSD between treatment and control groups. The two studies that examined relocation to a novel living environment reported decreased or no difference in the severity and/or frequency of BPSD post-intervention. No studies reported worsening of BPSD following a built environment intervention. Conclusions The range of built environment interventions is broad, as is the complex and multi-dimensional nature of BPSD. There is inconclusive evidence to suggest a built environment intervention which is clinically superior in long-term care settings. Further high-quality methodological and experimental studies are required to demonstrate the feasibility and effectiveness of such interventions.

Description: by The PLOS ONE Staff

Description: by Kimberly A. Tenggardjaja, Brian W. Bowen, Giacomo Bernardi Understanding vertical and horizontal connectivity is a major priority in research on mesophotic coral ecosystems (30–150 m). However, horizontal connectivity has been the focus of few studies, and data on vertical connectivity are limited to sessile benthic mesophotic organisms. Here we present patterns of vertical and horizontal connectivity in the Hawaiian Islands-Johnston Atoll endemic threespot damselfish, Chromis verater , based on 319 shallow specimens and 153 deep specimens. The mtDNA markers cytochrome b and control region were sequenced to analyze genetic structure: 1) between shallow (

Description: by Yanan Zhu, Hao Yu, Wei Wang, Xiaohua Gong, Ke Yao Purpose To examine the mechanism by which a novel connexin 50 (Cx50) mutation, Cx50 V44A, in a Chinese family causes suture-sparing autosomal dominant congenital nuclear cataracts. Methods Family history and clinical data were recorded and direct gene sequencing was used to identify the disease-causing mutation. The Cx50 gene was cloned from a human lens cDNA library. Connexin protein distributions were assessed by fluorescence microscopy. Hemichannel functions were analyzed by dye uptake assay. Formation of functional channels was assessed by dye transfer experiments. Results Direct sequencing of the candidate GJA8 gene revealed a novel c.131T〉C transition in exon 2, which cosegregated with the disease in the family and resulted in the substitution of a valine residue with alanine at codon 44 (p. V44A) in the extracellular loop 1 of the Cx50 protein. Both Cx50 and Cx50V44A formed functional gap junctions, as shown by the neurobiotin transfer assay. However, unlike wild-type Cx50, Cx50V44A was unable to form open hemichannels in dye uptake experiments. Conclusion This work identified a unique congenital cataract in the Chinese population, caused by the novel mutation Cx50V44A, and it showed that the V44A mutation specifically impairs the gating of the hemichannels but not the gap junction channels. The dysfunctional hemichannels resulted in the development of human congenital cataracts.

Description: by Kanae Mukai, Emi Komatsu, Yukari Nakajima, Tamae Urai, Nasruddin, Junko Sugama, Toshio Nakatani Cutaneous wound healing is delayed by protein malnutrition (PM). On the other hand, estrogen promotes cutaneous wound healing by its anti-inflammatory and cell proliferation effects. Therefore, we hypothesized that estrogen administration in protein-malnourished ovariectomized (OVX) female mice might improve the inflammatory response and promote cutaneous wound healing as well as normal nutrition. To test this hypothesis, we used full-thickness excisional wounds in Control SHAM, PM SHAM, PM OVX and PM OVX+17β-estradiol mice. The Control diet included 200 g/kg protein and the PM diet included 30 g/kg protein. The ratio of wound area in the Control SHAM group was significantly smaller than those in the three PM groups. In addition, microscopic findings also showed that the ratio of collagen fibers, the ratio of myofibroblasts and the number of new blood vessels in the Control SHAM group were significantly greater than those in the three PM groups. However, the number of Ym1-positive cells as an anti-inflammatory M2-like macrophage marker in the PM OVX+17β-estradiol group was significantly higher than those in the other three groups. These results indicate that the appearance of anti-inflammatory M2-like macrophages was promoted by estrogen administration; however, it could not promote cutaneous wound healing upon a low-protein diet. Therefore, it may be confirmed that nutrition is more important for promoting cutaneous wound healing than estrogen administration.

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Description: by Yuichiro Hayashi, Shin Ishii, Hidetoshi Urakubo Human observers perceive illusory rotations after the disappearance of circularly repeating patches containing dark-to-light luminance. This afterimage rotation is a very powerful phenomenon, but little is known about the mechanisms underlying it. Here, we use a computational model to show that the afterimage rotation can be explained by a combination of fast light adaptation and the physiological architecture of the early visual system, consisting of ON- and OFF-type visual pathways. In this retinal ON/OFF model, the afterimage rotation appeared as a rotation of focus lines of retinal ON/OFF responses. Focus lines rotated clockwise on a light background, but counterclockwise on a dark background. These findings were consistent with the results of psychophysical experiments, which were also performed by us. Additionally, the velocity of the afterimage rotation was comparable with that observed in our psychophysical experiments. These results suggest that the early visual system (including the retina) is responsible for the generation of the afterimage rotation, and that this illusory rotation may be systematically misinterpreted by our high-level visual system.

Description: by The PLOS ONE Staff

Description: by The PLOS ONE Staff

Description: by Kaouther K. Rabhi, Kali Esancy, Anouk Voisin, Lucille Crespin, Julie Le Corre, Hélène Tricoire-Leignel, Sylvia Anton, Christophe Gadenne In moths, which include many agricultural pest species, males are attracted by female-emitted sex pheromones. Although integrated pest management strategies are increasingly developed, most insect pest treatments rely on widespread use of neurotoxic chemicals, including neonicotinoid insecticides. Residual accumulation of low concentrations of these insecticides in the environment is known to be harmful to beneficial insects such as honey bees. This environmental stress probably acts as an “info-disruptor” by modifying the chemical communication system, and therefore decreases chances of reproduction in target insects that largely rely on olfactory communication. However, low doses of pollutants could on the contrary induce adaptive processes in the olfactory pathway, thus enhancing reproduction. Here we tested the effects of acute oral treatments with different low doses of the neonicotinoid clothianidin on the behavioral responses to sex pheromone in the moth Agrotis ipsilon using wind tunnel experiments. We show that low doses of clothianidin induce a biphasic effect on pheromone-guided behavior. Surprisingly, we found a hormetic-like effect, improving orientation behavior at the LD20 dose corresponding to 10 ng clothianidin. On the contrary, a negative effect, disturbing orientation behavior, was elicited by a treatment with a dose below the LD0 dose corresponding to 0.25 ng clothianidin. No clothianidin effect was observed on behavioral responses to plant odor. Our results indicate that risk assessment has to include unexpected effects of residues on the life history traits of pest insects, which could then lead to their adaptation to environmental stress.

Description: by Shu-Kang Wang, Wei Ma, Shumei Wang, Xiang-Ren Yi, Hong-Ying Jia, Fuzhong Xue Background The relationship between obesity and hypertension varies with geographical area, race and definitions of obesity. Our study aimed to investigate the prevalence of obesity using standard Chinese criteria based on the body mass index (BMI) and the waist circumference (WC) and to examine the association between obesity and hypertension among middle-aged and elderly people in Jinan city. Methods This cross-sectional study examined 1,870 subjects from the blocks randomly selected from among the 6 communities of Jinan, China in 2011–2012. The Student's t-test was used to compare numerical data, and the χ 2 test was used to compare categorical data. Multivariate logistic regression analyses were performed to assess the effects of general and central obesity on hypertension after adjusting for age or for education level, smoking, alcohol consumption, and continuous age. Results The prevalence of general obesity among people age 50 years and older was 21.1% (17.0% for males and 23.1% for females), and the prevalence of central obesity was 77.8% for men and 78.7% for women. For men, compared with a normal BMI, the ORs and 95% CIs for overweight and general obesity were 1.853 (1.252, 2.744) and 3.422 (1.894, 6.182), respectively, after adjusting for age, smoking, alcohol consumption and educational level. Compared with a normal WC, the ORs and 95% CIs for central obesity were 2.334 (1.573, 3.465) and 2.318 (1.544, 3.479), respectively, for men. For women, compared with a normal BMI, the ORs and 95% CIs were 1.942 (1.473, 2.599) and 4.011 (2.817, 5.712), respectively, after adjusting for age, smoking, alcohol consumption and educational level. Compared with a normal WC, the ORs and 95% CIs for central obesity were 2.488 (1.865, 3.319) and 2.379 (1.773, 3.192), respectively, for women. Conclusions The relationship between hypertension and general obesity was stronger than the relationship between hypertension and either overweight or central obesity in both genders.

Description: by Mei-Chi Chang, Hsiao-Hua Chang, Chiu-Po Chan, Sin-Yuet Yeung, Hsiang-Chi Hsien, Bor-Ru Lin, Chien-Yang Yeh, Wan-Yu Tseng, Shui-Kuan Tseng, Jiiang-Huei Jeng Aims Cresols are present in antiseptics, coal tar, some resins, pesticides, and industrial solvents. Cresol intoxication leads to hepatic injury due to coagulopathy as well as disturbance of hepatic circulation in fatal cases. Patients with uremia suffer from cardiovascular complications, such as atherosclerosis, thrombosis, hemolysis, and bleeding, which may be partly due to p-cresol toxicity and its effects on vascular endothelial and mononuclear cells. Given the role of reactive oxygen species (ROS) and inflammation in vascular thrombosis, the objective of this study was to evaluate the effect of p-cresol on endothelial and mononuclear cells. Methods EA.hy926 (EAHY) endothelial cells and U937 cells were exposed to different concentrations of p-cresol. Cytotoxicity was evaluated by 3-(4,5-Dimethylthiazol-2-yl)-2,5 -diphenyltetrazolium bromide (MTT) assay and trypan blue dye exclusion technique, respectively. Cell cycle distribution was analyzed by propidium iodide flow cytometry. Endothelial cell migration was studied by wound closure assay. ROS level was measured by 2′,7′-dichlorofluorescein diacetate (DCF) fluorescence flow cytometry. Prostaglandin F 2α (PGF 2α ), plasminogen activator inhibitor-1 (PAI-1), soluble urokinase plasminogen activator receptor (suPAR), and uPA production were determined by Enzyme-linked immunosorbant assay (ELISA). Results Exposure to 100–500 µM p-cresol decreased EAHY cell number by 30–61%. P-cresol also decreased the viability of U937 mononuclear cells. The inhibition of EAHY and U937 cell growth by p-cresol was related to induction of S-phase cell cycle arrest. Closure of endothelial wounds was inhibited by p-cresol (〉100 µM). P-cresol (〉50 µM) also stimulated ROS production in U937 cells and EAHY cells but to a lesser extent. Moreover, p-cresol markedly stimulated PAI-1 and suPAR, but not PGF 2α , and uPA production in EAHY cells. Conclusions p-Cresol may contribute to atherosclerosis and thrombosis in patients with uremia and cresol intoxication possibly due to induction of ROS, endothelial/mononuclear cell damage and production of inflammation/atherosclerosis-related molecules.

Description: by Chunkao Wang, Yang Da The traditional quantitative genetics model was used as the unifying approach to derive six existing and new definitions of genomic additive and dominance relationships. The theoretical differences of these definitions were in the assumptions of equal SNP effects (equivalent to across-SNP standardization), equal SNP variances (equivalent to within-SNP standardization), and expected or sample SNP additive and dominance variances. The six definitions of genomic additive and dominance relationships on average were consistent with the pedigree relationships, but had individual genomic specificity and large variations not observed from pedigree relationships. These large variations may allow finding least related genomes even within the same family for minimizing genomic relatedness among breeding individuals. The six definitions of genomic relationships generally had similar numerical results in genomic best linear unbiased predictions of additive effects (GBLUP) and similar genomic REML (GREML) estimates of additive heritability. Predicted SNP dominance effects and GREML estimates of dominance heritability were similar within definitions assuming equal SNP effects or within definitions assuming equal SNP variance, but had differences between these two groups of definitions. We proposed a new measure of genomic inbreeding coefficient based on parental genomic co-ancestry coefficient and genomic additive correlation as a genomic approach for predicting offspring inbreeding level. This genomic inbreeding coefficient had the highest correlation with pedigree inbreeding coefficient among the four methods evaluated for calculating genomic inbreeding coefficient in a Holstein sample and a swine sample.

Description: by Hsieh Fushing, Chen Chen, Yin-Chen Hsieh, Patrick Farrell Lewis Carroll's English word game Doublets is represented as a system of networks with each node being an English word and each connectivity edge confirming that its two ending words are equal in letter length, but different by exactly one letter. We show that this system, which we call the Doublets net, constitutes a complex body of linguistic knowledge concerning English word structure that has computable multiscale features. Distributed morphological, phonological and orthographic constraints and the language's local redundancy are seen at the node level. Phonological communities are seen at the network level. And a balancing act between the language's global efficiency and redundancy is seen at the system level. We develop a new measure of intrinsic node-to-node distance and a computational algorithm, called community geometry, which reveal the implicit multiscale structure within binary networks. Because the Doublets net is a modular complex cognitive system, the community geometry and computable multi-scale structural information may provide a foundation for understanding computational learning in many systems whose network structure has yet to be fully analyzed.

Description: by Almaris N. Alonso, Kyle J. Perry, James M. Regeimbal, Patrick M. Regan, Darren E. Higgins Listeria monocytogenes is a Gram-positive, food-borne pathogen of humans and animals. L. monocytogenes is considered to be a potential public health risk by the U.S. Food and Drug Administration (FDA), as this bacterium can easily contaminate ready-to-eat (RTE) foods and cause an invasive, life-threatening disease (listeriosis). Bacteria can adhere and grow on multiple surfaces and persist within biofilms in food processing plants, providing resistance to sanitizers and other antimicrobial agents. While whole genome sequencing has led to the identification of biofilm synthesis gene clusters in many bacterial species, bioinformatics has not identified the biofilm synthesis genes within the L. monocytogenes genome. To identify genes necessary for L. monocytogenes biofilm formation, we performed a transposon mutagenesis library screen using a recently constructed Himar1 mariner transposon. Approximately 10,000 transposon mutants within L. monocytogenes strain 10403S were screened for biofilm formation in 96-well polyvinyl chloride (PVC) microtiter plates with 70 Himar1 insertion mutants identified that produced significantly less biofilms. DNA sequencing of the transposon insertion sites within the isolated mutants revealed transposon insertions within 38 distinct genetic loci. The identification of mutants bearing insertions within several flagellar motility genes previously known to be required for the initial stages of biofilm formation validated the ability of the mutagenesis screen to identify L. monocytogenes biofilm-defective mutants. Two newly identified genetic loci, dltABCD and phoPR , were selected for deletion analysis and both Δ dltABCD and Δ phoPR bacterial strains displayed biofilm formation defects in the PVC microtiter plate assay, confirming these loci contribute to biofilm formation by L. monocytogenes .

Description: by The PLOS ONE Staff

Description: by Ni Ma, Jinzhan Yuan, Ming Li, Jun Li, Liyan Zhang, Lixin Liu, Muhammad Shahbaz Naeem, Chunlei Zhang Rapeseed is one of the most important edible oil crops in the world and the seed yield has lagged behind the increasing demand driven by population growth. Winter oilseed rape ( Brassica napus L.) is widely cultivated with relatively low yield in China, so it is necessary to find the strategies to improve the expression of yield potential. Planting density has great effects on seed yield of crops. Hence, field experiments were conducted in Wuhan in the Yangtze River basin with one conventional variety (Zhongshuang 11, ZS11) and one hybrid variety (Huayouza 9, HYZ9) at five planting densities (27.0×10 4 , 37.5×10 4 , 48.0×10 4 , 58.5×10 4 , 69.0×10 4 plants ha –1 ) during 2010–2012 to investigate the yield components. The physiological traits for high-yield and normal-yield populations were measured during 2011–2013. Our results indicated that planting densities of 58.5×10 4 plants ha –1 in ZS11 and 48.0×10 4 plants ha –1 in HYZ9 have significantly higher yield compared with the density of 27.0×10 4 plants ha –1 for both varieties. The ideal silique numbers for ZS11 and HYZ9 were ∼0.9×10 4 (n m –2 ) and ∼1×10 4 (n m -2 ), respectively, and ideal primary branches for ZS11 and HYZ9 were ∼250 (n m –2 ) and ∼300 (n m –2 ), respectively. The highest leaf area index (LAI) and silique wall area index (SAI) was ∼5.0 and 7.0, respectively. Moreover, higher leaf net photosynthetic rate (Pn) and water use efficiency (WUE) were observed in the high-yield populations. A significantly higher level of silique wall photosynthesis and rapid dry matter accumulation were supposed to result in the maximum seed yield. Our results suggest that increasing the planting density within certain range is a feasible approach for higher seed yield in winter rapeseed in China.

Description: by The PLOS ONE Staff

Description: by Jonas J. Saugy, Laurent Schmitt, Roberto Cejuela, Raphael Faiss, Anna Hauser, Jon P. Wehrlin, Benjamin Rudaz, Audric Delessert, Neil Robinson, Grégoire P. Millet We investigated the changes in both performance and selected physiological parameters following a Live High-Train Low (LHTL) altitude camp in either normobaric hypoxia (NH) or hypobaric hypoxia (HH) replicating current “real” practices of endurance athletes. Well-trained triathletes were split into two groups (NH, n = 14 and HH, n = 13) and completed an 18-d LHTL camp during which they trained at 1100–1200 m and resided at an altitude of 2250 m (P i O 2  = 121.7±1.2 vs. 121.4±0.9 mmHg) under either NH (hypoxic chamber; F i O 2 15.8±0.8%) or HH (real altitude; barometric pressure 580±23 mmHg) conditions. Oxygen saturations (S p O 2 ) were recorded continuously daily overnight. P i O 2 and training loads were matched daily. Before (Pre-) and 1 day after (Post-) LHTL, blood samples, VO 2max , and total haemoglobin mass (Hb mass ) were measured. A 3-km running test was performed near sea level twice before, and 1, 7, and 21 days following LHTL. During LHTL, hypoxic exposure was lower for the NH group than for the HH group (220 vs. 300 h; P

Description: by Megan K. Watson, Adam W. Stern, Amber L. Labelle, Stephen Joslyn, Timothy M. Fan, Katie Leister, Micah Kohles, Kemba Marshall, Mark A. Mitchell Vitamin D is an important hormone in vertebrates. Most animals acquire this hormone through their diet, secondary to exposure to ultraviolet B (UVB) radiation, or a combination thereof. The objectives for this research were to evaluate the clinical and physiologic effects of artificial UVB light supplementation on guinea pigs ( Cavia porcellus ) and to evaluate the long-term safety of artificial UVB light supplementation over the course of six months. Twelve juvenile acromelanic Hartley guinea pigs were randomly assigned to one of two treatment groups: Group A was exposed to 12 hours of artificial UVB radiation daily and Group B received only ambient fluorescent light for 12 hours daily. Animals in both groups were offered the same diet and housed under the same conditions. Blood samples were collected every three weeks to measure blood chemistry values, parathyroid hormone, ionized calcium, and serum 25-hydroxyvitamin D 3 (25-OHD 3 ) levels. Serial ophthalmologic examinations, computed tomography scans, and dual energy x-ray absorptiometry scans were performed during the course of the study. At the end of the study the animals were euthanized and necropsied. Mean ± SD serum 25-OHD 3 concentrations differed significantly in the guinea pigs (p

Description: A major goal of nanotechnology is to develop the capability to arrange matter at will by placing individual atoms at desired locations in a predetermined configuration to build a nanostructure with specific properties or function. The scanning tunneling microscope has demonstrated the ability to arrange the basic building blocks of matter, single atoms, in two-dimensional configurations. An array of various nanostructures has been assembled, which display the quantum mechanics of quantum confined geometries. The level of human interaction needed to physically locate the atom and bring it to the desired location limits this atom assembly technology. Here we report the use of autonomous atom assembly via path planning technology; this allows atomically perfect nanostructures to be assembled without the need for human intervention, resulting in precise constructions in shorter times. We demonstrate autonomous assembly by assembling various quantum confinement geometries using atoms and molecules and describe the benefits of this approach.

Description: by Hee Kyung Yang, Jung Yeon Choi, Dae Hyun Kim, Jeong-Min Hwang Background Hyperopic undercorrection is a common clinical practice. However, less is known of its effect on the change in refractive errors and emmetropization throughout the later years of childhood. Objectives To evaluate the effect of spectacle correction on the change in refractive errors in hyperopic children less than 12 years of age with or without strabismus. Data Extraction A retrospective cohort study was performed by a computer based search of the hospital database of patients with hyperopia, accommodative esotropia or exotropia. A total of 150 hyperopic children under 12 years of age were included. Patients were classified into four groups: 1) accommodative esotropia with full correction of hyperopia, 2) exotropia with undercorrection of hyperopia, 3) orthotropia with full correction of hyperopia, 4) orthotropia with undercorrection of hyperopia. The 4 groups were matched by initial age on examination and spherical equivalent refractive errors (SER). The main outcome measure was the change in SER (Diopter/year) in both eyes after two years of follow-up. Results An overall negative shift in SER was noted during the follow-up period in all groups, except for the group with esotropia and full correction. The mean negative shift of hyperopia was more rapid in groups receiving undercorrection of hyperopia with or without strabismus. The amount of undercorrection of hyperopia was positively correlated to the magnitude of decrease in hyperopia in all patients (r = 0.289, P

Description: We developed a silicon avalanche photodiode (Si-APD) linear-array detector for use in nuclear resonant scattering experiments using synchrotron X-rays. The Si-APD linear array consists of 64 pixels (pixel size: 100 × 200 μm 2 ) with a pixel pitch of 150 μm and depletion depth of 10 μm. An ultrafast frontend circuit allows the X-ray detector to obtain a high output rate of 〉10 7 cps per pixel. High-performance integrated circuits achieve multichannel scaling over 1024 continuous time bins with a 1 ns resolution for each pixel without dead time. The multichannel scaling method enabled us to record a time spectrum of the 14.4 keV nuclear radiation at each pixel with a time resolution of 1.4 ns (FWHM). This method was successfully applied to nuclear forward scattering and nuclear small-angle scattering on 57 Fe.

Description: We describe a nanosecond time-resolved fluorescence spectrometer that acquires fluorescence decay waveforms from each well of a 384-well microplate in 3 min with signal-to-noise exceeding 400 using direct waveform recording. The instrument combines high-energy pulsed laser sources (5–10 kHz repetition rate) with a photomultiplier and high-speed digitizer (1 GHz) to record a fluorescence decay waveform after each pulse. Waveforms acquired from rhodamine or 5-((2-aminoethyl)amino) naphthalene-1-sulfonic acid dyes in a 384-well plate gave lifetime measurements 5- to 25-fold more precise than the simultaneous intensity measurements. Lifetimes as short as 0.04 ns were acquired by interleaving with an effective sample rate of 5 GHz. Lifetime measurements resolved mixtures of single-exponential dyes with better than 1% accuracy. The fluorescence lifetime plate reader enables multiple-well fluorescence lifetime measurements with an acquisition time of 0.5 s per well, suitable for high-throughput fluorescence lifetime screening applications.

Description: Diagnostic for investigating and distinguishing different laser ion acceleration mechanisms has been developed and successfully tested. An ion separation wide angle spectrometer can simultaneously investigate three important aspects of the laser plasma interaction: (1) acquire angularly resolved energy spectra for two ion species, (2) obtain ion energy spectra for multiple species, separated according to their charge to mass ratio, along selected axes, and (3) collect laser radiation reflected from and transmitted through the target and propagating in the same direction as the ion beam. Thus, the presented diagnostic constitutes a highly adaptable tool for accurately studying novel acceleration mechanisms in terms of their angular energy distribution, conversion efficiency, and plasma density evolution.

Description: This paper analyses the use of impedance spectroscopy as a characterization tool applied to thermoelectric materials. The impedance function of the thermoelectric system under adiabatic conditions and Peltier mode operation is calculated by solving the heat equation in the frequency domain. The analysis, focused on the complex plane, provides the required equivalent circuit elements to interpret the impedance measurements. Using this approach, all the relevant thermoelectric parameters and thermal properties can be potentially extracted at a given temperature from the impedance spectra, i.e., the Seebeck coefficient, electrical resistivity, thermal conductivity, figure of merit (zT), specific heat, and thermal diffusivity. This can be done without the need of measuring temperature differences. To validate the models described, impedance measurements have been carried out in single thermoelectric elements and modules, showing an excellent agreement with the theory. The simple nature of the measurements in conjunction with the advantage of obtaining all the important thermoelectric parameters opens up the possibility of establishing impedance spectroscopy as a very useful characterization method for the thermoelectric field.

Description: Single-phase and oxygen doped Mn 2 N 0.86 thin films have been grown on MgO (111) by plasma-assisted molecular beam epitaxy. The films grow under tensile strain and, remarkably, they show ferromagnetic-like interactions at low temperature and ferromagnetic ordering agreed well with the Bloch-law T 3 / 2 at room-temperature. We further demonstrate the enlarged Mn 3s splitting (6.46 eV) and its possible relation to the observed ferromagnetism. Our study not only provide a strategy for further theoretical work on oxygen doped manganese nitrides, but also shed promising light on utilizing its room-temperature FM property to fabricate spintronic devices.

Description: An arsenic (As)-doped poly-silicon nanowire gate-all-around transistor fabricated using standard semiconductor methods was used to measure the Coulomb blockade effect by applying a tunable gate voltage. Two-level trapping states due to the random telegraph signal of fluctuating drain current were observed in the silicon transport channel. Under high magnetic fields, the superposition points of differential conductance revealed weak 2-electron singlet-triplet splitting states of the arsenic magnetic impurity. The weak spin-orbital coupling suggests that the electron-spin-polarization in the As-doped silicon nanowire and the two-level trapping state coexisted in the Coulomb blockade oscillations. These characteristics indicate that a few arsenic donors strongly affect the quantum behavior of the poly-silicon material.

Description: Enhancing the visibility of images taken in the hazy weather is important in many applications. Among many dehazing methods, those based on polarimetric imaging techniques have several advantages, such as ease of keeping detailed information, low cost, and high efficiency. In this paper, we propose a novel and robust dehazing algorithm based on polarimetric imaging. By introducing the orientation-angle information from the Stokes matrix, all the parameters used in dehazing performance can be effectively, precisely and automatically estimated, and no additional human-computer interaction is needed. Besides, this method can also be used in handling hazy images without sky region. Experimental results show that such a method can greatly enhance the visibility of hazy images.

Description: The field-orientation dependent magnetoelectric coupling is experimentally studied for a rectangular Terfenol-D/PZT/Terfenol-D laminated structure. The considered magnetic field, namely the dc-bias magnetic field or the ac-excitation magnetic field, is allowed to be spatially re-orientated between two orthogonal geometric dimensions of the composite. In the study, the direction of the excitation can be fixed in the longitudinal (Scheme-I) or thickness (Scheme-II) directions, while considering the bias orientation. Alternatively, the bias field can be restricted to the longitudinal (Scheme-III) or thickness (Scheme-IV) directions, while the excitation orientation is considered. The variation in magnetoelectric coefficient as a function of the bias magnitude is studied with special attention paid to the field-orientation dependency. For the testing schemes of I and II, the direction of the dc-bias field can be re-oriented by forming an angle with the fixed direction of the ac-excitation field. As the angle changes from 0° to 90°, the magnetoelectric coupling evolves from L-T mode to S-T surface shear for Scheme-I, and from T-T mode to S-T thickness shear for Scheme-II. The bias-field-orientation dependence demonstrates a complex pattern due to the varying overall state of anisotropy in Terfenol-D. In Scheme-I with low bias magnitude, the orientation dependence can be represented by the measured effective longitudinal piezomagnetic coefficient. In addition, the optimal bias field for maximum magnetoelectric coefficient is observed to linearly increase with the bias orientation angle. Alternatively, the orientation dependence in Schemes III and IV is more predictable due to the barely changed overall state of anisotropy. In this case, Scheme-III shows that the magnetoelectric coefficient decreases monotonically with the orientation angle and Scheme-IV indicates that the maximum coefficient is attained at around 60°. The dependence of the magnetoelectric coupling on the excitation-filed orientation can be understood via analysis of the resultant magnetostriction in Terfenol-D with assumed effective magnetization, which may depart from the bias field due to the strong demagnetization effect. The analysis is supported by the computed field-orientation dependence of the magnetostriction in Terfenol-D.

Description: The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability of all structures as well as the electronic and chemical bonding properties are addressed. For the monohydride, taking into account the zero-point energy is important to identify the octahedral Pd-H arrangement with its larger voids and, hence, softer hydrogen vibrational modes as favorable over the tetrahedral arrangement as found in the zincblende and wurtzite structures. Stabilization of the rocksalt structure is due to strong bonding of the 4 d and 1 s orbitals, which form a characteristic split-off band separated from the main d -band group. Increased filling of the formerly pure d states of the metal causes strong reduction of the density of states at the Fermi energy, which undermines possible long-range ferromagnetic order otherwise favored by strong magnetovolume effects. For the dihydride, octahedral Pd-H arrangement as realized, e.g., in the pyrite structure turns out to be unstable against tetrahedral arrangement as found in the fluorite structure. Yet, from both heat of formation and chemical bonding considerations, the dihydride turns out to be less favorable than the monohydride. Finally, the vacancy ordered defect phase Pd 3 H 4 follows the general trend of favoring the octahedral arrangement of the rocksalt structure for Pd:H ratios less or equal to one.

Description: The strategy of suppressing grain growth by dispersing nanoscale particles that pin the grain boundaries is demonstrated in a nanocrystalline thermoelectric compound. Yttria nanoparticles that were incorporated by mechanical alloying enabled nanocrystalline (i.e., d 

Description: This work shows the application of metal ion-implantation to realize an efficient second-generation TiO 2 photocatalyst. High fluence Fe + ions were implanted into thin TiO 2 films and subsequently annealed up to 550 °C. The ion-implantation process modified the TiO 2 pure film, locally lowering its band-gap energy from 3.2 eV to 1.6–1.9 eV, making the material sensitive to visible light. The measured optical band-gap of 1.6–1.9 eV was associated with the presence of effective energy levels in the energy band structure of the titanium dioxide, due to implantation-induced defects. An accurate structural characterization was performed by Rutherford backscattering spectrometry, transmission electron microscopy, Raman spectroscopy, X-ray diffraction, and UV/VIS spectroscopy. The synthesized materials revealed a remarkable photocatalytic efficiency in the degradation of organic compounds in water under visible light irradiation, without the help of any thermal treatments. The photocatalytic activity has been correlated with the amount of defects induced by the ion-implantation process, clarifying the operative physical mechanism. These results can be fruitfully applied for environmental applications of TiO 2 .

Description: Monolayers of tin (stannanane) functionalized with halogens have been shown to be topological insulators. Using density functional theory (DFT), we study the electronic properties and room-temperature transport of nanoribbons of iodine-functionalized stannanane showing that the overlap integral between the wavefunctions associated to edge-states at opposite ends of the ribbons decreases with increasing width of the ribbons. Obtaining the phonon spectra and the deformation potentials also from DFT, we calculate the conductivity of the ribbons using the Kubo-Greenwood formalism and show that their mobility is limited by inter-edge phonon backscattering. We show that wide stannanane ribbons have a mobility exceeding 10 6 cm 2 /Vs. Contrary to ordinary semiconductors, two-dimensional topological insulators exhibit a high conductivity at low charge density, decreasing with increasing carrier density. Furthermore, the conductivity of iodine-functionalized stannanane ribbons can be modulated over a range of three orders of magnitude, thus rendering this material extremely interesting for classical computing applications.

Description: Work function, photoemission yield, and Auger electron spectra were measured on (001) p-type GaAs during negative electron affinity (NEA) surface preparation, surface degradation, and heating processes. The emission current sensitively depends on work function change and its dependence allows us to determine that the shape of the vacuum barrier was close to double triangular. Regarding the NEA surface degradation during photoemission, we discuss the importance of residual gas components the oxygen and hydrogen. We also found that gentle annealing (≤100 °C) of aged photocathodes results in a lower work function and may offer a patch to reverse the performance degradation.

Description: Trivalent dysprosium-doped Lu 3 Ga 5 O 12 nano-garnets have been prepared by sol-gel method and characterized by X-ray powder diffraction, high-resolution transmission electron microscopy, dynamic light scattering, and laser excited spectroscopy. Under a cw 457 nm laser excitation, the white luminescence properties of Lu 3 Ga 5 O 12 nano-garnets have been studied as a function of the optically active Dy 3+ ion concentration and at low temperature. Decay curves for the 4 F 9/2 level of Dy 3+ ion exhibit non-exponential nature for all the Dy 3+ concentrations, which have been well-fitted to a generalized energy transfer model for a quadrupole-quadrupole interaction between Dy 3+ ions without diffusion. From these data, a simple rate-equations model can be applied to predict that intense white luminescence could be obtained from 1.8 mol% Dy 3+ ions-doped nano-garnets, which is in good agreement with experimental results. Chromaticity color coordinates and correlated color temperatures have been determined as a function of temperature and are found to be within the white light region for all Dy 3+ concentrations. These results indicate that 2.0 mol% Dy 3+ ions doped nano-garnet could be useful for white light emitting device applications.

Description: In this paper, 80GeO 2 -8Ga 2 O 3 -10BaO-2Nb 2 O 5 -6PbO (in mol%) glass samples with different Tm 2 O 3 concentrations (0, 0.5, 0.75, 1, 1.25, and 1.5 mol. %) were prepared by traditional melt-quenching method. According to the measurement of thermal properties of the host glass, the glass transition temperature is 596.7 °C and no crystallization peak is observed. Judd–Ofelt parameters Ω t (t = 2, 4, 6) and fluorescent lifetimes were obtained by Judd-Ofelt theory. The similar values of Judd–Ofelt parameters and the full-width at half-maximums of ∼1800 nm indicate the local environment of Tm 3+ changes little with increment of Tm 2 O 3 concentrations. Maximum stimulated emission cross-section of ∼1800 nm is 6.22 × 10 −21 cm 2 as calculated by Fuchtbauer–Ladenburg formula. Energy migration among Tm 3+ ions was analyzed by the extended overlap integral method. The non-radiative transition rates between mainly energy levels of Tm 3+ were calculated. Non-radiative transition rate of 3 F 4 energy level caused by OH was analyzed by rate equation and deduced by fitting the fluorescence decay curve.

Description: The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structural patterns observed in molecules and solids. Chemical intuition is nothing but the ability to recognize and predict such patterns, and how they transform into one another. Here, we discuss how to use a computer to identify atomic patterns automatically, so as to provide an algorithmic definition of a bond based solely on structural information. We concentrate in particular on hydrogen bonding – a central concept to our understanding of the physical chemistry of water, biological systems, and many technologically important materials. Since the hydrogen bond is a somewhat fuzzy entity that covers a broad range of energies and distances, many different criteria have been proposed and used over the years, based either on sophisticate electronic structure calculations followed by an energy decomposition analysis, or on somewhat arbitrary choices of a range of structural parameters that is deemed to correspond to a hydrogen-bonded configuration. We introduce here a definition that is univocal, unbiased, and adaptive, based on our machine-learning analysis of an atomistic simulation. The strategy we propose could be easily adapted to similar scenarios, where one has to recognize or classify structural patterns in a material or chemical compound.

Description: We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H − , Li − , Na − , F − , Cl − , and OH − . The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

Description: For conical intersections of two states ( I,J = I + 1) the vectors defining the branching or g-h plane, the energy difference gradient vector g I,J , and the interstate coupling vector h I,J , can be made orthogonal by a one parameter rotation of the degenerate electronic eigenstates. The representation obtained from this rotation is used to construct the parameters that describe the vicinity of the conical intersection seam, the conical parameters, s I,J x ( R ), s I,J y ( R ), g I,J ( R ), and h I,J ( R ). As a result of the orthogonalization these parameters can be made continuous functions of R , the internuclear coordinates. In this work we generalize this notion to construct continuous parametrizations of conical intersection seams of three or more states. The generalization derives from a recently introduced procedure for using non-degenerate electronic states to construct coupled diabatic states that represent adiabatic states coupled by conical intersections. The procedure is illustrated using the seam of conical intersections of three states in parazolyl as an example.

Description: Properties of metallic materials are intrinsically determined by their electron behavior. However, relevant theoretical treatment involving quantum mechanics is complicated and difficult to be applied in materials design. Electron work function (EWF) has been demonstrated to be a simple but fundamental parameter which well correlates properties of materials with their electron behavior and could thus be used to predict material properties from the aspect of electron activities in a relatively easy manner. In this article, we propose a method to extract the electron work functions of binary solid solutions or alloys from their phase diagrams and use this simple approach to predict their mechanical strength and surface properties, such as adhesion. Two alloys, Fe-Ni and Cu-Zn, are used as samples for the study. EWFs extracted from phase diagrams show same trends as experimentally observed ones, based on which hardness and surface adhesive force of the alloys are predicted. This new methodology provides an alternative approach to predict material properties based on the work function, which is extractable from the phase diagram. This work may also help maximize the power of phase diagram for materials design and development.

Description: State averaged complete active space self-consistent field (SA-CASSCF) is a workhorse for determining the excited-state electronic structure of molecules, particularly for states with multireference character; however, the method suffers from known issues that have prevented its wider adoption. One issue is the presence of discontinuities in potential energy surfaces when a state that is not included in the state averaging crosses with one that is. In this communication I introduce a new dynamical weight with spline (DWS) scheme that mimics SA-CASSCF while removing energy discontinuities due to unweighted state crossings. In addition, analytical gradients for DWS-CASSCF (and other dynamically weighted schemes) are derived for the first time, enabling energy-conserving excited-state ab initio molecular dynamics in instances where SA-CASSCF fails.

Description: Modern materials processing applications and technologies often occur far from equilibrium. To this end, the processing of complex materials such as polymer melts and nanocomposites generally occurs under strong deformations and flows, conditions under which equilibrium thermodynamics does not apply. As a result, the ability to determine the nonequilibrium thermodynamic properties of polymeric materials from measurable quantities such as heat and work is a major challenge in the field. Here, we use work relations to show that nonequilibrium thermodynamic quantities such as free energy and entropy can be determined for dilute polymer solutions in flow. In this way, we determine the thermodynamic properties of DNA molecules in strong flows using a combination of simulations, kinetic theory, and single molecule experiments. We show that it is possible to calculate polymer relaxation timescales purely from polymer stretching dynamics in flow. We further observe a thermodynamic equivalence between nonequilibrium and equilibrium steady-states for polymeric systems. In this way, our results provide an improved understanding of the energetics of flowing polymer solutions.

Description: Cohesive interactions between filamentous molecules have broad implications for a range of biological and synthetic materials. While long-standing theoretical approaches have addressed the problem of inter-filament forces from the limit of infinitely rigid rods, the ability of flexible filaments to deform intra-filament shape in response to changes in inter-filament geometry has a profound affect on the nature of cohesive interactions. In this paper, we study two theoretical models of inter-filament cohesion in the opposite limit, in which filaments are sufficiently flexible to maintain cohesive contact along their contours, and address, in particular, the role played by helical-interfilament geometry in defining interactions. Specifically, we study models of featureless, tubular filaments interacting via: (1) pair-wise Lennard-Jones (LJ) interactions between surface elements and (2) depletion-induced filament binding stabilized by electrostatic surface repulsion. Analysis of these models reveals a universal preference for cohesive filament interactions for non-zero helical skew, and further, that in the asymptotic limit of vanishing interaction range relative to filament diameter, the skew-dependence of cohesion approaches a geometrically defined limit described purely by the close-packing geometry of twisted tubular filaments. We further analyze non-universal features of the skew-dependence of cohesion at small-twist for both potentials, and argue that in the LJ model the pair-wise surface attraction generically destabilizes parallel filaments, while in the second model, pair-wise electrostatic repulsion in combination with non-pairwise additivity of depletion leads to a meta-stable parallel state.

Description: The effect of strong intermolecular hydrogen bonding on torsional degrees of freedom is investigated by far-infrared absorption spectroscopy for different methanol dimer isotopologues isolated in supersonic jet expansions or embedded in inert neon matrices at low temperatures. For the vacuum-isolated and Ne-embedded methanol dimer, the hydrogen bond OH librational mode of the donor subunit is finally observed at ∼560 cm −1 , blue-shifted by more than 300 cm −1 relative to the OH torsional fundamental of the free methanol monomer. The OH torsional mode of the acceptor embedded in neon is observed at ∼286 cm −1 . The experimental findings are held against harmonic predictions from local coupled-cluster methods with single and double excitations and a perturbative treatment of triple excitations [LCCSD(T)] and anharmonic. VPT2 corrections at canonical MP2 and density functional theory (DFT) levels in order to quantify the contribution of vibrational anharmonicity for this important class of intermolecular hydrogen bond vibrational motion.

Description: Extensive numerical solutions of the hypernetted-chain (HNC) and Rogers-Young (RY) integral equations are presented for the pair structure of a system of two coupled replicae (1 and 2) of a “soft-sphere” fluid of atoms interacting via an inverse-12 pair potential. In the limit of vanishing inter-replica coupling ɛ 12 , both integral equations predict the existence of three branches of solutions: (1) A high temperature liquid branch ( L ), which extends to a supercooled regime upon cooling when the two replicae are kept at ɛ 12 = 0 throughout; upon separating the configurational and vibrational contributions to the free energy and entropy of the L branch, the Kauzmann temperature is located where the configurational entropy vanishes. (2) Starting with an initial finite coupling ɛ 12 , two “glass” branches G 1 and G 2 are found below some critical temperature, which are characterized by a strong remnant spatial inter-replica correlation upon taking the limit ɛ 12 → 0. Branch G 2 is characterized by an increasing overlap order parameter upon cooling, and may hence be identified with the hypothetical “ideal glass” phase. Branch G 1 exhibits the opposite trend of increasing order parameter upon heating; its free energy lies consistently below that of the L branch and above that of the G 2 branch. The free energies of the L and G 2 branches are found to intersect at an alleged “random first-order transition” (RFOT) characterized by weak discontinuities of the volume and entropy. The Kauzmann and RFOT temperatures predicted by RY differ significantly from their HNC counterparts.

Description: We present a continuum solvent model (CSM) with a smooth cavity for the application in grid-based electronic structure methods. The cavity is identified with the inherently smooth distribution function of a binary mixture at infinite dilution. We obtain a cavity model based on atomic van der Waals radii and one free parameter controlling the overall size. This single parameter is sufficient to adequately reproduce experimental partial molar volumes. The CSM based on this cavity is of similar accuracy in the prediction of aqueous solvation Gibbs energies of small neutral molecules and ions as other CSMs with a smooth cavity. We apply the model to systems in non-aqueous solution, i.e., spiropyran/merocyanin energetics, a proton transfer reaction in dimethyl sulfoxide, and the electrostatic screening of charged gold clusters in an ionic liquid.

Description: Knots are commonly found in molecular chains such as DNA and proteins, and they have been considered to be useful models for structural analysis of these molecules. One interested quantity is the minimum number of monomers necessary to realize a molecular knot. The minimum lattice length Len( K ) of a knot K indicates the minimum length necessary to construct K in the cubic lattice. Another important quantity in physical knot theory is the ropelength which is one of the knot energies measuring the complexity of knot conformation. The minimum ropelength Rop( K ) is the minimum length of an ideally flexible rope necessary to tie a given knot K . Much effort has been invested in the research project for finding upper bounds on both quantities in terms of the minimum crossing number c ( K ) of the knot. It is known that Len( K ) and Rop( K ) lie between O ( c ( K ) 3 4 ) and O( c ( K )[ln ( c ( K ))] 5 ), but unknown yet whether any family of knots has superlinear growth. In this paper, we focus on 2-bridge knots and links. Linear growth upper bounds on the minimum lattice length and minimum ropelength for nontrivial 2-bridge knots or links are presented as Len( K ) ⩽ 8 c ( K ) + 2 and Rop( K ) ⩽ 11.39 c ( K ) + 12.37.

Description: We construct a spectral triple for the C * -algebra of continuous functions on the space of p -adic integers by using a rooted tree obtained from coarse-grained approximation of the space, and the forward derivative on the tree. Additionally, we verify that our spectral triple satisfies the properties of a compact spectral metric space, and we show that the metric on the space of p -adic integers induced by the spectral triple is equivalent to the usual p -adic metric.

Description: We consider the 3-body problem in 3-dimensional spaces of nonzero constant Gaussian curvature and study the relationship between the masses of the Lagrangian relative equilibria, which are orbits that form a rigidly rotating equilateral triangle at all times. There are three classes of Lagrangian relative equilibria in 3-dimensional spaces of constant nonzero curvature: positive elliptic and positive elliptic-elliptic, on 3-spheres, and negative elliptic, on hyperbolic 3-spheres. We prove that all these Lagrangian relative equilibria exist only for equal values of the masses.

Description: In this paper, we study singular systems with complete sets of involutive constraints. The aim is to establish, within the Hamilton-Jacobi theory, the relationship between the Frobenius’ theorem, the infinitesimal canonical transformations generated by constraints in involution with the Poisson brackets, and the lagrangian point (gauge) transformations of physical systems.

Description: μLaue diffraction with a polychromatic X-ray beam can be used to measure strain fields and crystal orientations of micro crystals. The hydrostatic strain tensor can be obtained once the energy profile of the reflections is measured. However, this remains a challenge both on the time scale and reproducibility of the beam position on the sample. In this review, we present a new approach to obtain the spatial and energy profiles of Laue spots by using a pn-junction charge-coupled device, an energy-dispersive area detector providing 3D resolution of incident X-rays. The morphology and energetic structure of various Bragg peaks from a single crystalline Cu micro-cantilever used as a test system were simultaneously acquired. The method facilitates the determination of the Laue spots’ energy spectra without filtering the white X-ray beam. The synchrotron experiment was performed at the BM32 beamline of ESRF using polychromatic X-rays in the energy range between 5 and 25 keV and a beam size of 0.5 μ m × 0.5 μ m. The feasibility test on the well known system demonstrates the capabilities of the approach and introduces the “3D detector method” as a promising tool for material investigations to separate bending and strain for technical materials.

Description: A short prototype (847-mm-long) of an Insertion Device (ID) with the dynamic compensation of ID magnetic forces has been designed, built, and tested at the Advanced Photon Source (APS) of the Argonne National Laboratory. The ID magnetic forces were compensated by the set of conical springs placed along the ID strongback. Well-controlled exponential characteristics of conical springs permitted a very close fit to the ID magnetic forces. Several effects related to the imperfections of actual springs, their mounting and tuning, and how these factors affect the prototype performance has been studied. Finally, series of tests to determine the accuracy and reproducibility of the ID magnetic gap settings have been carried out. Based on the magnetic measurements of the ID B eff , it has been demonstrated that the magnetic gaps within an operating range were controlled accurately and reproducibly within ±1 μ m. Successful tests of this ID prototype led to the design of a 3-m long device based on the same concept. The 3-m long prototype is currently under construction. It represents R&D efforts by the APS toward APS Upgrade Project goals as well as the future generation of IDs for the Linac Coherent Light Source (LCLS).

Description: A description is given of an ultra-high vacuum surface-analysis chamber that incorporates an internal cell for performing atomic layer deposition at a pressure of up to ∼1 Torr. The apparatus permits the growth process to be interrupted in stages during which data can be obtained using infrared and x-ray photoemission spectroscopies together with other electron-based techniques. Demonstration results are given for the adsorption of H 2 O on Si (100) at a pressure of ∼0.3 Torr. The system described is generally applicable in the study of any surface reaction under non-high-vacuum conditions in which there is a need for both infrared and electron spectroscopies.

Description: We recently reported the development of a high pressure electrical conductivity probe (HP-ECP) for experimental studies of formation of gas hydrates from electrolytes. The onset of the formation of methane-propane mixed gas hydrate from salt solutions was marked by a temporary upward spike in the electrical conductivity. To further understand hydrate formation a second generation of window-less HP-ECP (MkII), which has a much smaller heat capacity than the earlier version and allows access to faster cooling rates, has been constructed. Using the HP-ECP (MkII) the electrical conductivity signal responses of NaCl solutions upon the formation of ice, tetrahydrofuran hydrates, and methane–propane mixed gas hydrate has been measured. The concentration range of the NaCl solutions was from 1 mM to 3M and the driving AC frequency range was from 25 Hz to 5 kHz. This data has been used to construct an “electrical conductivity response phase diagrams” that summarize the electrical conductivity response signal upon solid formation in these systems. The general trend is that gas hydrate formation is marked by an upward spike in the conductivity at high concentrations and by a drop at low concentrations. This work shows that HP-ECP can be applied in automated measurements of hydrate formation probability distributions of optically opaque samples using the conductivity response signals as a trigger.

Description: In thermomechanical testing of hypersonic materials and structures, direct observation and quantitative strain measurement of the front surface of a test specimen directly exposed to severe aerodynamic heating has been considered as a very challenging task. In this work, a novel quartz infrared heating device with an observation window is designed to reproduce the transient thermal environment experienced by hypersonic vehicles. The specially designed experimental system allows the capture of test article's surface images at various temperatures using an optical system outfitted with a bandpass filter. The captured images are post-processed by digital image correlation to extract full-field thermal deformation. To verify the viability and accuracy of the established system, thermal strains of a chromiumnickel austenite stainless steel sample heated from room temperature up to 600 °C were determined. The preliminary results indicate that the air disturbance between the camera and the specimen due to heat haze induces apparent distortions in the recorded images and large errors in the measured strains, but the average values of the measured strains are accurate enough. Limitations and further improvements of the proposed technique are discussed.

Description: Using magnetic rare-metals for spintronic devices is facing serious problems for the environmental contamination and the limited material-resource. In contrast, by fabricating ferromagnetic graphene nanopore arrays (FGNPAs) consisting of honeycomb-like array of hexagonal nanopores with hydrogen-terminated zigzag-type atomic structure edges, we reported observation of polarized electron spins spontaneously driven from the pore edge states, resulting in rare-metal-free flat-energy-band ferromagnetism. Here, we demonstrate observation of tunneling magnetoresistance (TMR) behaviors on the junction of cobalt/SiO 2 /FGNPA electrode, serving as a prototype structure for future rare-metal free TMR devices using magnetic graphene electrodes. Gradual change in TMR ratios is observed across zero-magnetic field, arising from specified alignment between pore-edge- and cobalt-spins. The TMR ratios can be controlled by applying back-gate voltage and by modulating interpore distance. Annealing the SiO 2 /FGNPA junction also drastically enhances TMR ratios up to ∼100%.

Description: In this work, a time-resolved tunable diode-laser (DL) induced fluorescence (TR-TDLIF) method calibrated by absorption spectroscopy has been developed in order to determine atom and flux velocity distribution functions (AVDF and FVDF) of the energetic and the thermalized atoms in pulsed plasmas. The experimental set-up includes a low-frequency (∼3 Hz) and high spectral-resolution DL (∼0.005 pm), a fast rise-time pulse generator, and a high power impulse magnetron sputtering (HiPIMS) system. The induced TR-TDLIF signal is recorded every 0.5  μ s with a digital oscilloscope of a second-long trace. The technique is illustrated with determining the AVDF and the FVDF of a metastable state of the sputtered neutral tungsten atoms in the HiPIMS post-discharge. Gaussian functions describing the population of the four W isotopes were used to fit the measured TR-TDLIF signal. These distribution functions provide insight into transition from the energetic to thermalized regimes from the discharge onset. This technique may be extended with appropriate DLs to probe any species with rapidly changing AVDF and FVDF in pulsed and strongly oscillating plasmas.

Description: Doped silicon nanocrystals (Si NCs) are of great interest in demanding low-cost nanodevices because of the abundance and nontoxicity of Si. Here, we demonstrate a cost-effective gas phase approach to synthesize phosphorous (P)-doped Si NCs in which the precursors used, i.e., SiCl 4 , trimethyl phosphite (TMP), are both safe and economical. It is found that the TMP-enabled P-doping does not change the crystalline structure of Si NCs. The surface of P-doped Si NCs is terminated by both Cl and H. The Si–H bond density at the surface of P-doped Si NCs is found to be much higher than that of undoped Si NCs. The X-ray photoelectron spectroscopy and electron spin resonance results indicate that P atoms are doped into the substitutional sites of the Si-NC core and electrically active in Si NCs. Unintentional impurities, such as carbon contained in TMP, are not introduced into Si NCs.

Description: Fracture mechanisms of metallic glasses are fundamentally different from that of crystalline alloys. Nano-voids formation and coalescence inside shear bands were believed to be one of the reasons causing the final failures. Although molecule dynamic simulations have successfully simulated cavitation in shear bands of brittle metallic glasses, direct experimental evidences are still rare. By carefully examining the shear bands of Pd 40.5 Ni 40.5 P 19 , nano-voids and their coalescence have been observed in the center-diffused region of shear bands. It is experimentally confirmed that nano-voids formation and their coalescence into large voids within shear bands is one of fracture mechanisms of metallic glasses.

Description: In addition to boron and oxygen, copper is also known to cause light-induced degradation (LID) in silicon. We have demonstrated previously that LID can be prevented by depositing negative corona charge onto the wafer surfaces. Positively charged interstitial copper ions are proposed to diffuse to the negatively charged surface and consequently empty the bulk of copper. In this study, copper out-diffusion was confirmed by chemical analysis of the near surface region of negatively/positively charged silicon wafer. Furthermore, LID was permanently removed by etching the copper-rich surface layer after negative charge deposition. These results demonstrate that (i) copper can be effectively removed from the bulk by negative charge, (ii) under illumination copper forms a recombination active defect in the bulk of the wafer causing severe light induced degradation.

Description: Four-wave mixing (FWM) spectroscopy reveals clear signatures associated with the exciton, free carrier inter-band transitions, and the Urbach band tail in low-temperature-grown GaAs, providing a direct measure of the effective band gap as well as insight into the influence of disorder on the electronic structure. The ability to detect (and resolve) these contributions, in contrast to linear spectroscopy, is due to an enhanced sensitivity of FWM to the optical joint density of states and to many-body effects. Our experiments demonstrate the power of FWM for studying the near-band-edge optical properties and coherent carrier dynamics in low-temperature-grown semiconductors.

Description: Besides crystallization time and temperature, the mass density change upon crystallization is a key parameter governing the reliability of phase change random access memory. Indeed, few percentages density change induces considerable mechanical stress in memory cells, leading to film delamination with subsequent electrical failures. This letter presents an extensive study of density change upon crystallization in a series of Ga-Sb thin films with various antimony contents. The mass density of the films is precisely determined by x-ray reflectivity in both their amorphous and crystalline states. The variations of the density in crystalline and amorphous films according to the Sb content found to cross with a zero-density change for 70 at. % Sb. The peculiar behavior of Ga-Sb thin films upon crystallization may be linked to their stress state and mechanical properties.

Description: Here, we analyse residual stress distributions obtained from various crystal systems using high resolution electron backscatter diffraction (EBSD) measurements. Histograms showing stress probability distributions exhibit tails extending to very high stress levels. We demonstrate that these extreme stress values are consistent with the functional form that should be expected for dislocated crystals. Analysis initially developed by Groma and co-workers for X-ray line profile analysis and based on the so-called “restricted second moment of the probability distribution” can be used to estimate the total dislocation density. The generality of the results are illustrated by application to three quite different systems, namely, face centred cubic Cu deformed in uniaxial tension, a body centred cubic steel deformed to larger strain by cold rolling, and hexagonal InAlN layers grown on misfitting sapphire and silicon carbide substrates.