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First principles study on the mechanical properties and generalized stacking fault energy of CsCl, CsBr and CsI
In this paper, the lattice constants, elastic anisotropies, and elastic constants (C11, C12 and C44) of three Cs halide materials, CsCl, CsBr and CsI...
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Generalized stacking fault energies of intermetallic compounds AlSc and MgSc at different pressures using first principles
Intermetallic compounds with B2 structure are used in aviation and aerospace, but lower ductilities are required for these materials. Here, to better...
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Vacancy at stacking fault-assisted nucleation of transition-metal carbides and nitrides in Fcc-Fe
The occupation tendencies of Cr, Cu, Mo, Nb, Ni, Ti and V in Fcc-Fe stacking fault containing vacancy were studied by the first principles...
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The Role of Stacking Fault Energy of Cu–Al and Cu–Mn Alloys During Their Deformation in Low-Stability States
By means of diffraction using transmission electron microscopy, the role of stacking fault energy during active plastic deformation of...
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Enhancement of the Basal-Plane Stacking Fault Emission in a GaN Planar Nanowire Microcavity
We study and compare optical microcavities formed by GaN planar nanowires. Nanostructures with structural defects such as stacking faults and without...
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Evolution of Microstructure and its Parameters after Deformation of Polycrystalline Cu-Al Alloys with Different Stacking Fault Energy
Transmission electron microscopy (TEM) is used to investigate the evolution of the dislocation substructure after active plastic deformation of...
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Stacking fault energy of basal plane for hexagonal closed-packed medium entropy alloy ZrHfTi: Ab initio prediction
Ternary alloy ZrHfTi is a novel hexagonal close-packed medium entropy material. As a fundamental parameter for understanding the deformation behavior...
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Accumulation of Defects in Polycrystalline Copper–Aluminum Solid Solutions and the Role of Stacking Fault Energy
AbstractTransmission diffraction electron microscopy is used to study the evolution of a dislocation structure during active plastic deformation in...
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First-principles study on the effects of selected alloying elements on the generalized stacking fault energies of nickel
Using first-principles calculations, the effects of selected alloying elements (e.g., Cr, Ti, Mn, Co, V, and Fe) on the generalized stacking fault...
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Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study
Interstitial alloying has become an important pillar in tuning and improving the materials properties of high-entropy alloys, e.g., enabling...
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High-Current Stacked HTS Conductors With Non-uniform Gaps: Critical Current, AC Loss, and Fault Tolerance
In this article, a novel non-uniform gap optimization method was proposed for high-current stacked HTS conductors. The proposed configuration was...
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Effect of Cr on the generalized stacking fault energy of impure doped Ni (111) surface: a first-principles study
AbstractIn the present work, a systematic analysis of the microscopic plastic deformation mechanism and mechanical properties of interstitial...
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Atomic simulation of the effect of annealing rate on cutting residual stress and mechanical properties of γ-TiAl alloy
In this paper, the effect of the stress relief annealing rate on residual stress was investigated using molecular dynamics simulation, and the...
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Three-Level Dislocation-Based Model for Describing the Deformation of Polycrystals: Structure, Implementation Algorithm, Examples for Studying Nonproportional Cyclic Loading
AbstractA three-level constitutive model is proposed for describing the deformation of polycrystalline materials, which is based on crystal...
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Experimental Data Base
As an instructive example, experimental data of Ag/n-Si(111)-(1×1)^i and -(1×1)^i Schottky contacts are discussed in detail. These contacts were...
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A Molecular-Dynamics Study of the Influence of Carbon, Nitrogen, and Oxygen Impurities on the Edge Dislocation Slip in Aluminum and Nickel
AbstractThe influence of C, N, and O impurities on the slip of an edge dislocation in Al and Ni has been studied by the molecular-dynamics method...
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Improvement of the structural properties and environmental stability of flexible InSb thin films by dopant-assisted crystallization
In this study, InSb and InSb 1 − x Bi x ( x = 0.01, 0.02, and 0.03) thin films were grown on quartz substrates and polyimide (PI) films by multi-cathode...
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Plastic Deformation of Nanocrystalline Fe95Ni05 with Gradient Grained Structure under Shock Loading
A molecular dynamics simulation of structural transformations in nanocrystalline Fe 95 Ni 05 samples with a single grain size and a gradient grained...
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Nonlinear effects of the biosynthesis temperature of ZnO nanoparticles on their structural, optical, and ultraviolet blocking parameters
The surge in the incidence of skin cancer caused by UV exposure in Yemen served as the impetus for the current study. Fixed volumes and...
