Application of atomic simulation for studying hydrogen embrittlement phenomena and mechanism in iron-based alloys

L Dong, S Wang, G Wu, J Gao, X Zhou, HH Wu… - International Journal of …, 2022 - Elsevier
High-strength iron-based alloys serving in hydrogen-containing environments often faces a
critical problem of hydrogen embrittlement, which involves intricate mechanisms across …

Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling

SZ Chavoshi, S Xu - Progress in Materials Science, 2019 - Elsevier
Atomistic-based multiscale and molecular dynamics modeling are powerful tools to simulate
the localized strain problems, offering tremendous opportunities to bridge the knowledge …

An atomistic-to-microscale computational analysis of the dislocation pileup-induced local stresses near an interface in plastically deformed two-phase materials

Y Peng, R Ji, T Phan, W Gao, VI Levitas, L Xiong - Acta Materialia, 2022 - Elsevier
Taking the two-phase material as a model system, here we perform atomistic-to-microscale
computational analysis on how the dislocations pileup is formed at a buried interface …

Incorporation of tension-compression asymmetry into plastic damage phase-field modeling of quasi brittle geomaterials

T You, QZ Zhu, PF Li, JF Shao - International Journal of Plasticity, 2020 - Elsevier
Both experiments and theoretical investigations have evidenced the existence of
compressive-shear fracture mode in geomaterials like concrete, rocks and gypsum. Proper …

Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al

S Xu, JR Mianroodi, A Hunter, B Svendsen… - International Journal of …, 2020 - Elsevier
Many elementary deformation processes in metals involve the motion of dislocations. The
planes of glide and specific processes dislocations prefer depend heavily on their atomic …

An analysis of key characteristics of the Frank-Read source process in FCC metals

S Xu, L Xiong, Y Chen, DL McDowell - … of the Mechanics and Physics of …, 2016 - Elsevier
A well-known intragranular dislocation source, the Frank-Read (FR) source plays an
important role in size-dependent dislocation multiplication in crystalline materials. Despite a …

A comparison of different continuum approaches in modeling mixed-type dislocations in Al

S Xu, L Smith, JR Mianroodi, A Hunter… - … and Simulation in …, 2019 - iopscience.iop.org
Mixed-type dislocations are prevalent in metals and play an important role in their plastic
deformation. Key characteristics of mixed-type dislocations cannot simply be extrapolated …

Shear stress-and line length-dependent screw dislocation cross-slip in FCC Ni

S Xu, L Xiong, Y Chen, DL McDowell - Acta Materialia, 2017 - Elsevier
Screw dislocation cross-slip is important in dynamic recovery of deformed metals. A mobile
screw dislocation segment can cross slip to annihilate an immobile screw dislocation …

Sequential obstacle interactions with dislocations in a planar array

S Xu, DL McDowell, IJ Beyerlein - Acta Materialia, 2019 - Elsevier
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 …

A discrete–continuous model of three-dimensional dislocation elastodynamics

Y Cui, T Wang, S Luo, Z Li, Z Li - International Journal of Plasticity, 2022 - Elsevier
Unraveling the deformation mechanism of materials under extremely high strain rate is
critical from both scientific and engineering viewpoints. The elastodynamic effect of 3D high …