Recent progress in the phase-field dislocation dynamics method

S Xu - Computational Materials Science, 2022 - Elsevier
The phase-field dislocation dynamics (PFDD) method, originated in 2002, is a continuum
dislocation model that uses order parameters to describe dislocation slips in crystalline …

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

LTW Smith, Y Su, S Xu, A Hunter, IJ Beyerlein - International Journal of …, 2020 - Elsevier
In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-
principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is …

Local slip resistances in equal-molar MoNbTi multi-principal element alloy

S Xu, Y Su, WR Jian, IJ Beyerlein - Acta Materialia, 2021 - Elsevier
In this work, we calculate the local slip resistances (LSRs) in equal-molar MoNbTi multi-
principal element alloy via molecular static simulations. We consider dislocations of either …

Dislocation transmission across Σ3 {112} incoherent twin boundary: a combined atomistic and phase-field study

T Ma, H Kim, N Mathew, DJ Luscher, L Cao, A Hunter - Acta Materialia, 2022 - Elsevier
Grain boundaries (GBs) in polycrystalline materials act as impediments to dislocation motion
and result in strengthening. Understanding slip transmission through GBs, specifically twin …

Interaction of extended dislocations with nanovoid clusters

AM Roach, S Xu, DJ Luscher, DS Gianola… - International Journal of …, 2023 - Elsevier
Voids of nanoscale dimensions in irradiated metals can act as obstacles to dislocation
motion and cause strengthening. In this work, nanovoid strengthening and the influences of …

Generalized stacking fault energies and Peierls stresses in refractory body-centered cubic metals from machine learning-based interatomic potentials

X Wang, S Xu, WR Jian, XG Li, Y Su… - Computational Materials …, 2021 - Elsevier
The generalized stacking fault energies (GSFE) and Peierls stresses are strongly related to
the mechanical properties of refractory metals. In this work, the GSFE curves and Peierls …

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 …

Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals

Y Su, S Xu, IJ Beyerlein - Journal of Applied Physics, 2019 - pubs.aip.org
In this work, we use density functional theory to calculate the entire generalized stacking
fault energy (GSFE) surface for eight transition metals with a face-centered cubic structure …

Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys

S Xu, E Hwang, WR Jian, Y Su, IJ Beyerlein - Intermetallics, 2020 - Elsevier
In this work, we utilize atomistic simulations to calculate the generalized stacking fault
energies (GSFEs), which are related to the dislocation glide process, on four types of slip …

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 …