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تسجيل مستخدم جديدMicroalloying effect in ternary Al-Sm-X (X=Ag, Au, Cu) metallic glasses studied by ab initio molecular dynamics
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The icosahedral-like polyhedral fraction (ICO-like fraction) has been studied as a criterion for predicting the glass-forming ability of bulk ternary metallic glasses, Al90Sm8X2 (X = Al (binary), Cu, Ag, Au), using ab initio molecular dynamics (AIMD) simulations. We found that the ICO-like fraction can be determined with adequate precision to explore correlations with AIMD simulations. We then demonstrated that ICO-like fraction correlates with the critical cooling rate, which is a widely used intrinsic measure of glass forming ability. These results suggest that the ICO-like fraction from AIMD simulations may offer a useful guide for searching and screening for good glass formers.
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Henry H. Wu
, Dallas R. Trinkle (Department of Materials Science andn Engineering
, University of Illinois
2009
A binary embedded-atom method (EAM) potential is optimized for Cu on Ag(111) by fitting to ab initio data. The fitting database consists of DFT calculations of Cu monomers and dimers on Ag(111), specifically their relative energies, adatom heights, a
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GaAs nanowires were grown by metalorganic vapor phase epitaxy on evaporated metal films (Au, Au / Pd, Ag, Ni, Ga, Cu, Al, Ti). The samples were characterized by scanning electron microscope (SEM) and transmission electron microscope (TEM). SEM images
reveal that nanowires grow directly on the metals. TEM characterization shows crystalline nanowire (nw) structure originating from Au. Article presents state of the art about nanowire-metal interface growth and enumerates nanowire contacting methods with metals.
The classic metallurgical systems -- noble metal alloys -- that have formed the benchmark for various alloy theories, are revisited. First-principles fully relaxed general potential LAPW total energies of a few ordered structures are used as input to
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We performed high-pressure angle dispersive x-ray diffraction measurements on Fe5Si3 and Ni2Si up to 75 GPa. Both materials were synthesized in bulk quantities via a solid-state reaction. In the pressure range covered by the experiments, no evidence
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We present a detailed appraisal of the optical and plasmonic properties of ordered alloys of the form Au$_{x}$Ag$_{y}$Cu$_{1-x-y}$, as predicted by means of first-principles many-body perturbation theory augmented by a semi-empirical Drude-Lorentz mo
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