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Neural structure fields with application to crystal structure autoencoders
Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications...
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Deformation twinning to dislocation slip transition in single-crystal tantalum under dynamic compression
The deformation twinning to dislocation slip transition is observed in large-scale molecular dynamics simulations of single-crystal tantalum under...
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Experimental Investigation and Crystal Plasticity Simulation with Damage for Single Crystal Copper Subjected to Tensile Load
AbstractThis article investigates the deformation behaviour and fracture characteristics of copper single crystals by uniaxial tensile experiments...
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Coupling Between Ductile Damage Evolution and Phase Transition in Single Crystal Niobium Subjected to High Strain Rate Loading
The primary objective of this work is to investigate the dynamic damage behavior of single crystal niobium at high strain rate from the atomic...
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Appearance of semiconductor-to-metal transition in Ba2BiFeSe5 single crystal: A combined DFT and transport analysis under pressure
We investigate chalcogenide Ba 2 BiFeSe 5 compound under pressure, focusing on temperature-dependent electrical resistivity ρ ( T ) upto 16.5 GPa and...
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Ion-beam exposure on PAM surface according to molecular concentration for application to liquid-crystal device
This study investigated the modification effects of ion-beam exposure on polyacrylamide films according to molecular concentrations. Surface...
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Liquid-crystal elastomers based on covalent adaptable networks: From molecular design to applications
Liquid-crystal elastomers (LCEs) have attracted great attention as stimuli-responsive materials due to their capability of large and reversible...
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Dielectric properties of polycrystalline and single crystal (100) strontium titanate from 4 to 295 K
The dielectric properties of single crystal and polycrystalline SrTiO 3 (ST) were investigated from 295 to 4 K. Relative permittivity (ε r ) and loss...
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Organic crystal structure prediction and its application to materials design
In recent years, substantial progress has been made in the modeling of organic solids. Computer simulation has been increasingly sha** the area of...
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Evaluation of polyvinyl chloride adhesion to 2D crystal flakes
We investigated the adhesion of polyvinyl chloride (PVC) to 2D crystal flakes on SiO 2 /Si substrates. Although the anchoring effect cannot be used to...
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4D Transition-Metal Hydrides
This chapter covers the transition-metal hydrides from ZrH to CdH. Results are presented for the crystal structures NaCl(B1) and CaF2 (C1).
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Control of crystal growth to obtain needle-shaped violet phosphorus with excellent photocatalytic degradation performance
The control of crystal growth is important but challenging for multi-disciplinary research. Violet phosphorus, the most stable phosphorus allotrope,...
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Center-environment deep transfer machine learning across crystal structures: from spinel oxides to perovskite oxides
In data-driven materials design where the target materials have limited data, the transfer machine learning from large known source materials,...
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Robust joining of FGH98 superalloy to DD5 single crystal by modulating interdiffusion behavior with Ni/high-entropy alloy hybrid interlayer
FGH98 superalloys and DD5 single crystals are highly desired to work together in high-temperature service environments. In this study, the FGH98-DD5...
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Dynamic shock wave-induced switchable order to disorder states of single crystal of sulfamic acid: a combined study of X-ray and Raman spectroscopy
Experimentation under dynamic shocked conditions has attained the status of one of the appealing classes of methods for identifying the functional...
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Facile Approach to Directional Alignment of Indium-Doped Strontium Oxide Film and Improved Liquid Crystal System Application
In this study, we describe the characterization and applicability of the liquid crystal (LC) system of brush-coated indium strontium oxide (InSrO)...
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Controllable volatile-to-nonvolatile memristive switching in single-crystal lead-free double perovskite with ultralow switching electric field
All-inorganic lead-free double perovskite offers a potential material platform for electronic or optoelectronic memory devices owing to its ionic...
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5d Transition-Metal Hydrides
This chapter covers the 5d row of the transition-metal hydrides from HfH to HgH. Results are presented for the crystal structures NaCl (B1) and CaF2...
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Liquid crystal alignment effect and electro-optical characteristics of rubbing-atmospheric plasma coprocessing in ZnO alignment film according to concentration
We describe liquid crystal (LC) alignment in varying solution-derived zinc oxide (ZnO) concentrations after treatment with atmospheric plasma. In...
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3D Transition-Metal Hydrides
This chapter covers the transition-metal hydrides from TiH to ZnH. Results are presented for the crystal structures NaCl (B1) and CaF2 (C1). Most of...