Classical molecular dynamics simulations of the deformation of metals under uniaxial monotonic loading: A review

A Kedharnath, R Kapoor, A Sarkar - Computers & Structures, 2021 - Elsevier
Nanoscale features present in structural and functional materials affect their macroscopic
properties and hence have been extensively studied. As experimental investigations of …

Deformation and failure in extreme regimes by high-energy pulsed lasers: a review

TP Remington, BA Remington, EN Hahn… - Materials Science and …, 2017 - Elsevier
The use of high-power pulsed lasers to probe the response of materials at pressures of
hundreds of GPa up to several TPa, time durations of nanoseconds, and strain rates of 10 6 …

Deformation behavior of ultra-strong and ductile Mg-Gd-Y-Zn-Zr alloy with bimodal microstructure

C Xu, GH Fan, T Nakata, X Liang, YQ Chi… - … Materials Transactions A, 2018 - Springer
An ultra-strong and ductile Mg-8.2 Gd-3.8 Y-1Zn-0.4 Zr (wt pct) alloy was developed by
using hot extrusion to modify the microstructure via forced-air cooling and an artificial aging …

Spall strength dependence on grain size and strain rate in tantalum

TP Remington, EN Hahn, S Zhao, R Flanagan… - Acta Materialia, 2018 - Elsevier
We examine the effect of grain size on the dynamic failure of tantalum during laser-shock
compression and release and identify a significant effect of grain size on spall strength …

Atomistic simulation of the shock wave in copper single crystals with pre-existing dislocation network

IA Bryukhanov - International Journal of Plasticity, 2022 - Elsevier
We present molecular dynamics simulations of shock compression and spall fracture in [111]
copper single crystals with pre-existing dislocations. Shock waves are simulated for an …

Molecular dynamics simulations of shock-induced plasticity in tantalum

D Tramontina, P Erhart, T Germann, J Hawreliak… - High Energy Density …, 2014 - Elsevier
Abstract We present Non-Equilibrium Molecular Dynamics (NEMD) simulations of shock
wave compression along the [001] direction in monocrystalline Tantalum, including pre …

On the ultimate tensile strength of tantalum

EN Hahn, TC Germann, R Ravelo, JE Hammerberg… - Acta Materialia, 2017 - Elsevier
Strain rate, temperature, and microstructure play a significant role in the mechanical
response of materials. Using non-equilibrium molecular dynamics simulations, we …

Amorphous intergranular films as toughening structural features

Z Pan, TJ Rupert - Acta Materialia, 2015 - Elsevier
The ability of amorphous intergranular films to mitigate damage formation at grain
boundaries is studied with molecular dynamics simulations. We find that such films can alter …

Strengthening effect of high-entropy alloys endowed by monolayer graphene

H Xie, Z Ma, W Zhang, H Zhao, L Ren - Materials Today Physics, 2022 - Elsevier
The graphene (Gr) can effectively confine the dislocation propagation, allowing for the
pronounced strengthening effect. However, due to the technical limitations of atomic …

Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution

CJ Ruestes, A Stukowski, Y Tang… - Materials Science and …, 2014 - Elsevier
Nanoindentation simulations are a helpful complement to experiments. There is a dearth of
nanoindentation simulations for bcc metals, partly due to the lack of computationally efficient …