Ab initio modeling of dislocation core properties in metals and semiconductors

D Rodney, L Ventelon, E Clouet, L Pizzagalli… - Acta Materialia, 2017 - Elsevier
Dislocation cores, the regions in the immediate vicinity of dislocation lines, control a number
of properties such as dislocation mobility, cross-slip and short-range interactions with other …

Recent progress in discrete dislocation dynamics and its applications to micro plasticity

G Po, MS Mohamed, T Crosby, C Erel, A El-Azab… - Jom, 2014 - Springer
We present a self-contained review of the discrete dislocation dynamics (DDD) method for
the numerical investigation of plasticity in crystals, focusing on recent development and …

Nanoscale precipitates as sustainable dislocation sources for enhanced ductility and high strength

S Peng, Y Wei, H Gao - Proceedings of the National …, 2020 - National Acad Sciences
Traditionally, precipitates in a material are thought to serve as obstacles to dislocation glide
and cause hardening of the material. This conventional wisdom, however, fails to explain …

Plasticity of metal nanowires

CR Weinberger, W Cai - Journal of Materials Chemistry, 2012 - pubs.rsc.org
The mechanisms of plasticity in metal nanowires with diameters below 100 nm are
reviewed. At these length scales, plasticity in face-centered-cubic metals subjected to …

Dislocation nucleation in Al single crystal at shear parallel to (111) plane: Molecular dynamics simulations and nucleation theory with artificial neural networks

AE Mayer, VS Krasnikov, VV Pogorelko - International Journal of Plasticity, 2021 - Elsevier
We develop the theory of homogeneous nucleation of dislocations, which predicts plasticity
incipience in FCC single crystal using material properties at elastic stage. In contrast to …

The interaction mechanisms between dislocations and nano-precipitates in CuFe alloys: A molecular dynamic simulation

H Bao, H Xu, Y Li, H Bai, F Ma - International Journal of Plasticity, 2022 - Elsevier
Molecular dynamics (MD) simulations are employed to study the interaction mechanisms
between dislocations and nano-precipitates in CuFe alloys. On one hand, the critical shear …

Atomistic modeling of surface and grain boundary dislocation nucleation in FCC metals

Y Zhang, K Ding, S Stangebye, D Chen, J Kacher… - Acta Materialia, 2022 - Elsevier
Dislocation nucleation plays a critical role in the plastic deformation of crystalline materials.
However, it is challenging to predict the active mode and associated rate of dislocation …

[HTML][HTML] Theory of history-dependent multi-layer generalized stacking fault energy—A modeling of the micro-substructure evolution kinetics in chemically ordered …

P Yu, JP Du, S Shinzato, FS Meng, S Ogata - Acta Materialia, 2022 - Elsevier
In this study, a chemical order related concept “history-dependent multi-layer generalized
stacking fault energy”(HDML-GSFE) was proposed, and it was then demonstrated by …

Atomistic interpretation of extra temperature and strain-rate sensitivity of heterogeneous dislocation nucleation in a multi-principal-element alloy

SC Dai, ZC Xie, YJ Wang - International Journal of Plasticity, 2022 - Elsevier
Incipient plasticity of crystals is usually initiated from versatile pre-existing crystalline defects
of different geometries and length scales that formed during materials fabrication and …

The effects of composition and microstructure on compressive strength of Ag-Au nanoparticles

T Fedyaeva, S Mathesan, A Bisht, Z Liang, D Mordehai… - Acta Materialia, 2023 - Elsevier
Hemispherical nanoparticles of Ag-33 at.% Au and Ag-60 at.% Au alloys were fabricated by
solid state dewetting of Ag-Au bilayers deposited on a sapphire substrate. The in-situ …