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 …
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 …
Assessment of atomistic coarse-graining methods
This paper reviews classical theories of coarse-graining and gives a short introduction to
representative coarse-grained atomistic models that were developed based on structure …
representative coarse-grained atomistic models that were developed based on structure …
Influence of scandium addition on microstructure and mechanical properties in nickel-based superalloys: an integrated multiscale modeling and experimental …
Microalloying has long been recognized as an effective method for improving the
mechanical properties of metallic materials and developing new ones. In this study, we …
mechanical properties of metallic materials and developing new ones. In this study, we …
Incorporation of tension-compression asymmetry into plastic damage phase-field modeling of quasi brittle geomaterials
Both experiments and theoretical investigations have evidenced the existence of
compressive-shear fracture mode in geomaterials like concrete, rocks and gypsum. Proper …
compressive-shear fracture mode in geomaterials like concrete, rocks and gypsum. Proper …
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 …
Multiscale coupling of molecular dynamics and peridynamics
We propose a multiscale computational model to couple molecular dynamics and
peridynamics. The multiscale coupling model is based on a previously developed multiscale …
peridynamics. The multiscale coupling model is based on a previously developed multiscale …
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 …