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 …

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 …

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 …

Modeling dislocations and heat conduction in crystalline materials: atomistic/continuum coupling approaches

S Xu, X Chen - International Materials Reviews, 2019 - Taylor & Francis
Dislocations and heat conduction are essential components that influence properties and
performance of crystalline materials, yet the modelling of which remains challenging partly …

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 …

Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals

S Xu, JR Mianroodi, A Hunter, IJ Beyerlein… - Philosophical …, 2019 - Taylor & Francis
In the continuum context, the displacements of atoms induced by a dislocation can be
approximated by a continuum disregistry field. In this work, two phase-field (PF)-based …

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 …

Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys

Y Su, S Xu, IJ Beyerlein - Modelling and Simulation in Materials …, 2019 - iopscience.iop.org
In this work, selecting the equal-molar CoNiRu multi-principal element alloy (MPEA) as a
model material, we study dislocation core structures starting from first principles. We begin …

Local micro-mechanical stress conditions leading to pore nucleation during dynamic loading

CA Bronkhorst, H Cho, PW Marcy… - International Journal of …, 2021 - Elsevier
Accurately representing the process of porosity-based ductile damage in polycrystalline
metallic materials via computational simulations remains a significant challenge. The …

Multiscale Concurrent Atomistic-Continuum (CAC) modeling of multicomponent alloys

K Chu, A Diaz, Y Chen, T Zhu, DL McDowell - Computational Materials …, 2022 - Elsevier
Strengthening in complex multicomponent systems such as solid solution alloys is controlled
primarily by the dynamic interactions between dislocation lines and heterogeneously …