Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling
SZ Chavoshi, S Xu - Progress in Materials Science, 2019 - Elsevier
Atomistic-based multiscale and molecular dynamics modeling are powerful tools to simulate
the localized strain problems, offering tremendous opportunities to bridge the knowledge …
the localized strain problems, offering tremendous opportunities to bridge the knowledge …
Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials
The generalized stacking fault energies (GSFE) and Peierls stresses are strongly related to
the mechanical properties of refractory metals. In this work, the GSFE curves and Peierls …
the mechanical properties of refractory metals. In this work, the GSFE curves and Peierls …
Frank-Read source operation in six body-centered cubic refractory metals
Abstract The Frank-Read (FR) source is a well-known intragranular dislocation source that
plays an important role in size-dependent dislocation multiplication in metallic crystals. In …
plays an important role in size-dependent dislocation multiplication in metallic crystals. In …
Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals
In this work, we use density functional theory to calculate the entire generalized stacking
fault energy (GSFE) surface for eight transition metals with a face-centered cubic structure …
fault energy (GSFE) surface for eight transition metals with a face-centered cubic structure …
Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: a comparative study
Atomistic simulation methods are appropriate tools for investigating the dynamics of
dislocations and their interactions with obstacles in metallic materials. In particular …
dislocations and their interactions with obstacles in metallic materials. In particular …
Sequential obstacle interactions with dislocations in a planar array
The strengthening of metals by nano-scale obstacles is mainly attributed to the impediment
to glide dislocations offered by these obstacles. It is important to understand the …
to glide dislocations offered by these obstacles. It is important to understand the …
Modeling dislocations with arbitrary character angle in face-centered cubic transition metals using the phase-field dislocation dynamics method with full anisotropic …
In this study, we present a phase-field dislocation dynamics (PFDD) method that includes full
anisotropic elasticity. We apply it to calculate the equilibrium core structures of dislocations …
anisotropic elasticity. We apply it to calculate the equilibrium core structures of dislocations …
Dislocation nucleation from symmetric tilt grain boundaries in body-centered cubic vanadium
We perform molecular dynamics (MD) simulations with two interatomic potentials to study
dislocation nucleation from six symmetric tilt grain boundaries (GB) using bicrystal models in …
dislocation nucleation from six symmetric tilt grain boundaries (GB) using bicrystal models in …
The role of crystal orientation in cracking performance of HCP magnesium single crystals
X Lai, S Ran, X Pei, H Zhang, F Wang - Mechanics of Materials, 2024 - Elsevier
This work was committed to conducting atomistic simulations for exploring the crystal
orientation dependence of fracture behavior in hexagonal close-packed (HCP) magnesium …
orientation dependence of fracture behavior in hexagonal close-packed (HCP) magnesium …
Coupling effect of twin boundary and void on the mechanical properties of bulk nanotwinned copper: an atomistic simulation
Molecular dynamics simulations are performed to analyze the uniaxial tensile deformation
behaviors of nanotwinned copper bulk containing pre-existing multiple spherical/ellipsoidal …
behaviors of nanotwinned copper bulk containing pre-existing multiple spherical/ellipsoidal …