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 …

Effect of short-range ordering and grain boundary segregation on shear deformation of CoCrFeNi high-entropy alloys with Al addition

R Babicheva, A Jarlöv, H Zheng, S Dmitriev… - Computational Materials …, 2022 - Elsevier
A method combining molecular dynamics (MD) and Monte Carlo (MC) simulation is used to
analyze the short-range ordering and grain boundary (GB) segregation in the bi-crystals of …

Atomistic simulations of the local slip resistances in four refractory multi-principal element alloys

RA Romero, S Xu, WR Jian, IJ Beyerlein… - International Journal of …, 2022 - Elsevier
The design and development of structural materials that can survive under the extreme
conditions of operation are critical to next generation aerospace and energy technologies …

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 …

Effects of short range ordering on the generalized stacking fault energy and deformation mechanisms in FCC multiprincipal element alloys

L Zhu, Z Wu - Acta Materialia, 2023 - Elsevier
Abstract Equiatomic FCC CrCoNi, VCoNi and CrCoNiFeMn exhibit distinctly different
deformation mechanisms where twinning is prevalent in CrCoNi and CrCoNiFeMn, but not …

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 …

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 …

Origin of deformation twinning in bcc tungsten and molybdenum

J Xiao, S Li, X Ma, J Gao, C Deng, Z Wu, Y Zhu - Physical Review Letters, 2023 - APS
Twinning is profuse in bcc transition metals (TMs) except bulk W and Mo. However, W and
Mo nanocrystals surprisingly exhibit twinning during room temperature compression, which …