Dislocation–obstacle interactions at the atomic level

DJ Bacon, YN Osetsky, D Rodney - Dislocations in solids, 2009 - Elsevier
Dislocation–obstacle interactions that resist the glide of dislocations in metals, and hence
increase the applied stress necessary for plastic deformation, are treated at the atomic scale …

Multiscale modelling of nanomechanics and micromechanics: an overview

NM Ghoniem, EP Busso, N Kioussis… - Philosophical …, 2003 - Taylor & Francis
Recent advances in analytical and computational modelling frameworks to describe the
mechanics of materials on scales ranging from the atomistic, through the microstructure or …

Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps

J Guénolé, WG Nöhring, A Vaid, F Houllé, Z **e… - Computational Materials …, 2020 - Elsevier
In atomistic simulations, pseudo-dynamical relaxation schemes often exhibit better
performance and accuracy in finding local minima than line-search-based descent …

An atomic-level model for studying the dynamics of edge dislocations in metals

YN Osetsky, DJ Bacon - … and simulation in materials science and …, 2003 - iopscience.iop.org
A model for simulating the dynamic behaviour of edge dislocations in metals at the atomic
level is presented. The model extends an earlier approach based on an array of edge …

Dislocation core effects on mobility

W Cai, VV Bulatov, J Chang, J Li, S Yip - Dislocations in solids, 2004 - Elsevier
The purpose of this chapter is to discuss the atomic structure and interactions in the
dislocation core and their effects on dislocation mobility from the standpoint of theoretical …

Molecular dynamics simulation of screw dislocations interacting with interstitial frank loops in a model FCC crystal

D Rodney - Acta Materialia, 2004 - Elsevier
Molecular dynamics simulations of screw dislocations interacting with interstitial Frank loops
are performed using specific boundary conditions in a model face-centered-cubic nickel …

Influence of kinetic effect on interaction between edge dislocation and irradiated dislocation loops in BCC Tantalum

Q Bao, Z Li, B Zhu, S Liang, J Zhu, M Huang… - International Journal of …, 2023 - Elsevier
In this paper, the interaction between an edge dislocation and irradiation< 100> sessile self-
interstitial atom (SIA) type dislocation loops (DLs) is studied by atomistic simulations in BCC …

A jogged dislocation governed strengthening mechanism in nanotwinned metals

H Zhou, X Li, S Qu, W Yang, H Gao - Nano letters, 2014 - ACS Publications
Atomistic simulations reveal a new and unique strengthening mechanism in nanotwinned
metals governed by the collective motion of multiple necklace-like extended jogged …

Atomistic phase field chemomechanical modeling of dislocation-solute-precipitate interaction in Ni–Al–Co

JR Mianroodi, P Shanthraj, P Kontis, J Cormier, B Gault… - Acta Materialia, 2019 - Elsevier
Dislocation-precipitate interaction and solute segregation play important roles in controlling
the mechanical behavior of Ni-based superalloys at high temperature. In particular, the …

Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

S Zhao, YN Osetsky, Y Zhang - Journal of Alloys and Compounds, 2017 - Elsevier
Single-phase concentrated solid solution alloys (CSAs), including high entropy alloys,
exhibit excellent mechanical properties compared to conventional dilute alloys. However …