Modeling and simulation of microstructure in metallic systems based on multi-physics approaches
The complex interplay between chemistry, microstructure, and behavior of many
engineering materials has been investigated predominantly by experimental methods …
engineering materials has been investigated predominantly by experimental methods …
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 …
the localized strain problems, offering tremendous opportunities to bridge the knowledge …
Key computational modeling issues in integrated computational materials engineering
Designing materials for targeted performance requirements as required in Integrated
Computational Materials Engineering (ICME) demands a combined strategy of bottom–up …
Computational Materials Engineering (ICME) demands a combined strategy of bottom–up …
An atomistic-to-microscale computational analysis of the dislocation pileup-induced local stresses near an interface in plastically deformed two-phase materials
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 …
computational analysis on how the dislocations pileup is formed at a buried interface …
Concurrent atomistic–continuum simulations of dislocation–void interactions in fcc crystals
Dislocation interactions with distributed condensed vacancy clusters in fcc metals were
simulated via a concurrent atomistic–continuum method. Due to void strengthening, the …
simulated via a concurrent atomistic–continuum method. Due to void strengthening, the …
Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study
Sequential slip transfer across grain boundaries (GB) has an important role in size-
dependent propagation of plastic deformation in polycrystalline metals. For example, the …
dependent propagation of plastic deformation in polycrystalline metals. For example, the …
Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al
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 …
planes of glide and specific processes dislocations prefer depend heavily on their atomic …
Coarse-grained atomistic simulation of dislocations
This paper presents a new methodology for coarse-grained atomistic simulation of
dislocation dynamics. The methodology combines an atomistic formulation of balance …
dislocation dynamics. The methodology combines an atomistic formulation of balance …
Concurrent atomistic-continuum modeling of crystalline materials
Y Chen, S Shabanov, DL McDowell - Journal of Applied Physics, 2019 - pubs.aip.org
In this work, we present a concurrent atomistic-continuum (CAC) method for modeling and
simulation of crystalline materials. The CAC formulation extends the Irving-Kirkwood …
simulation of crystalline materials. The CAC formulation extends the Irving-Kirkwood …
Asymmetric molecular imaging through decoding odd-even high-order harmonics
YJ Chen, LB Fu, J Liu - Physical Review Letters, 2013 - APS
The exquisite procedure for imaging a molecular orbital with high-order harmonics proposed
by Itatani et al.[Nature (London) 432, 867 (2004)] encounters difficulty when extended to an …
by Itatani et al.[Nature (London) 432, 867 (2004)] encounters difficulty when extended to an …