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 …

Nanoindentation based properties of Inconel 718 at elevated temperatures: A comparison of conventional versus additively manufactured samples

H Wang, A Dhiman, HE Ostergaard, Y Zhang… - International Journal of …, 2019 - Elsevier
In this work, temperature dependent mechanical properties of conventional and additive
manufactured Inconel 718 (IN718) after solution and aging (SA) heat treatment were …

Influence of scandium addition on microstructure and mechanical properties in nickel-based superalloys: an integrated multiscale modeling and experimental …

L Li, J Li, F Liu, L Tan, Q Fang, Y Wei - International Journal of Plasticity, 2023 - Elsevier
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 …

Frank-Read source operation in six body-centered cubic refractory metals

S Xu, Y Su, LTW Smith, IJ Beyerlein - Journal of the Mechanics and Physics …, 2020 - Elsevier
Abstract The Frank-Read (FR) source is a well-known intragranular dislocation source that
plays an important role in size-dependent dislocation multiplication in metallic crystals. In …

Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study

S Xu, L Xiong, Y Chen, DL McDowell - npj Computational Materials, 2016 - nature.com
Sequential slip transfer across grain boundaries (GB) has an important role in size-
dependent propagation of plastic deformation in polycrystalline metals. For example, the …

Plasticity induced anelasticity: The atomistic origin

S Manda, S Kumar, NN Pai, L Soni, U Tewary… - International Journal of …, 2024 - Elsevier
Plastic deformation is associated with developments in both dislocation density and residual
strain. This study used multi-scale diffraction-based, X-ray as well as electron diffraction …

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 …

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

J Tan, U Villa, N Shamsaei, S Shao, HM Zbib… - International Journal of …, 2021 - Elsevier
Multiscale models of materials, consisting of upscaling discrete simulations to continuum
models, are unique in their capability to simulate complex materials behavior. The …

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 …