Atomistic aspects of fracture

E Bitzek, JR Kermode, P Gumbsch - International Journal of Fracture, 2015 - Springer
Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic
scale therefore critically influence the toughness and overall fracture behavior of materials …

Atomistic modeling of fracture

P Andric, WA Curtin - … and Simulation in Materials Science and …, 2018 - iopscience.iop.org
Atomistic modeling of fracture is intended to illuminate the complex response of atoms in the
very high stressed region just ahead of a sharp crack. Accurate modeling of the atomic scale …

Influence of microstructure on the cutting behaviour of silicon

S Goel, A Kovalchenko, A Stukowski, G Cross - Acta Materialia, 2016 - Elsevier
We use molecular dynamics simulation to study the mechanisms of plasticity during cutting
of monocrystalline and polycrystalline silicon. Three scenarios are considered:(i) cutting a …

Molecular dynamics simulation study of deformation mechanisms in 3C–SiC during nanometric cutting at elevated temperatures

SZ Chavoshi, X Luo - Materials Science and Engineering: A, 2016 - Elsevier
Molecular dynamics (MD) simulation was employed in this study to elucidate the dislocation/
amorphization-based plasticity mechanisms in single crystal 3C–SiC during nanometric …

Machine learning for metallurgy II. A neural-network potential for magnesium

M Stricker, B Yin, E Mak, WA Curtin - Physical Review Materials, 2020 - APS
Interatomic potentials are essential for studying fundamental mechanisms of deformation
and failure in metals and alloys because the relevant defects (dislocations, cracks, etc.) are …

Atomistic study of hydrogen embrittlement of grain boundaries in nickel: I. Fracture

A Tehranchi, WA Curtin - Journal of the Mechanics and Physics of Solids, 2017 - Elsevier
Hydrogen ingress into a metal is a persistent source of embrittlement. Fracture surfaces are
often intergranular, suggesting favorable cleave crack growth along grain boundaries (GBs) …

New theory for Mode I crack-tip dislocation emission

P Andric, WA Curtin - Journal of the Mechanics and Physics of Solids, 2017 - Elsevier
A material is intrinsically ductile under Mode I loading when the critical stress intensity K Ie
for dislocation emission is lower than the critical stress intensity K Ic for cleavage. K Ie is …

Stress intensity factors, T-stresses and higher order coefficients of the Williams series expansion and their evaluation through molecular dynamics simulations

LV Stepanova, ON Belova - Mechanics of Advanced Materials and …, 2023 - Taylor & Francis
Molecular dynamics method and finite element analysis are applied for the analysis of the
stress field in the neighborhood of the crack tip in a copper plate with a single edge notch …

Modelling of ultra-thin steel sheet in two-stage tensile deformation considering strain path change and grain size effect and application in multi-stage microforming

R Zhang, Z Xu, L Peng, X Lai, MW Fu - International Journal of Machine …, 2021 - Elsevier
Multi-stage plastic deformation of metallic sheets for fabrication of complex micro structures
with high aspect ratio features in different industrial clusters has been prevailing due to …

Twinning anisotropy of tantalum during nanoindentation

S Goel, B Beake, CW Chan, NH Faisal… - Materials Science and …, 2015 - Elsevier
Unlike other BCC metals, the plastic deformation of nanocrystalline Tantalum (Ta) during
compression is regulated by deformation twinning. Whether or not this twinning exhibits …