Reinforcing materials modelling by encoding the structures of defects in crystalline solids into distortion scores
AM Goryaeva, C Lapointe, C Dai, J Dérès… - Nature …, 2020 - nature.com
This work revises the concept of defects in crystalline solids and proposes a universal
strategy for their characterization at the atomic scale using outlier detection based on …
strategy for their characterization at the atomic scale using outlier detection based on …
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 …
Insights into dislocation climb efficiency in FCC metals from atomistic simulations
Dislocation climb is a mechanism fundamental to high temperature deformation processes,
annealing of quenched-in defects, and irradiated defect absorption in metals. It is known …
annealing of quenched-in defects, and irradiated defect absorption in metals. It is known …
Crystal plasticity modeling of hydrogen and hydrogen-related defects in initial yield and plastic flow of single-crystal stainless steel 316L
Understanding of and accounting for various mechanisms that affect inelastic deformation of
crystalline metals in the presence of hydrogen remains an unsettled issue. Macroscopic …
crystalline metals in the presence of hydrogen remains an unsettled issue. Macroscopic …
Multiscale modeling of hydrogen-affected crack tip damage using fully coupled chemo-mechanical crystal plasticity framework for austenitic stainless steel
Hydrogen embrittlement is a long-standing issue in engineering structural applications with
a multitude of competing hypotheses and theories. Despite advances in experimental and …
a multitude of competing hypotheses and theories. Despite advances in experimental and …
Atomic scale simulations for the diffusion-assisted crossing of dislocation anchored by vacancy clusters
Nanosize vacancy clusters, characterized in metals after plastic deformation, irradiation or
specific heat treatments are suspected to participate in materials hardening through their …
specific heat treatments are suspected to participate in materials hardening through their …
Effect of sintering germanium epilayers on dislocation dynamics: From theory to experimental observation
High-quality germanium epilayers on Si with low threading-dislocation density were
achieved by sintering of porous Ge/Si films. The process consists in the formation of porous …
achieved by sintering of porous Ge/Si films. The process consists in the formation of porous …
Atomic-scale properties of jogs along 1/2< 110>{1¯ 10} edge dislocations in MgO
JH Zhai, P Hirel, P Carrez - Scripta Materialia, 2020 - Elsevier
We report atomic-scale simulations of the structure and formation energies of jog pairs on
1/2< 110>{1¯ 10} edge dislocations in magnesium oxide (MgO). The atomic configurations …
1/2< 110>{1¯ 10} edge dislocations in magnesium oxide (MgO). The atomic configurations …
The core structure of screw dislocations with [001] Burgers vector in MgSiO olivine
S Mahendran, P Carrez… - Comptes …, 2021 - comptes-rendus.academie-sciences …
In this study, we report atomistic calculations of the core structure of screw dislocations with
[001] Burgers vector in Mg2SiO4 olivine. Computations based on the THB1 empirical …
[001] Burgers vector in Mg2SiO4 olivine. Computations based on the THB1 empirical …
[图书][B] Atomistic Simulations of Dislocation Core Reconfiguration in FCC Metals and Alloys
A Abu-Odeh - 2023 - search.proquest.com
Dislocations are line defects present in crystalline materials that govern the plastic
deformation of metals and metallic alloys. These defects are described by continuum …
deformation of metals and metallic alloys. These defects are described by continuum …