Kink bands promote exceptional fracture resistance in a NbTaTiHf refractory medium-entropy alloy

DH Cook, P Kumar, MI Payne, CH Belcher, P Borges… - Science, 2024 - science.org
Single-phase body-centered cubic (bcc) refractory medium-or high-entropy alloys can retain
compressive strength at elevated temperatures but suffer from extremely low tensile ductility …

Molecular dynamics study on the strengthening mechanisms of Cr–Fe–Co–Ni high-entropy alloys based on the generalized stacking fault energy

A Jarlöv, W Ji, Z Zhu, Y Tian, R Babicheva, R An… - Journal of Alloys and …, 2022 - Elsevier
The correlation between the generalized stacking fault energy and the strengthening
mechanisms of Cr–Fe–Co–Ni high-entropy alloys during uniaxial tensile deformation is …

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 …

Unraveling dislocation-based strengthening in refractory multi-principal element alloys

T Wang, J Li, M Wang, C Li, Y Su, S Xu… - npj Computational …, 2024 - nature.com
Refractory multi-principal element alloys (RMPEAs) draw great interest with their superior
mechanical properties and extremely high melting points, yet the strengthening mechanism …

Electronic descriptors for dislocation deformation behavior and intrinsic ductility in bcc high-entropy alloys

PPPO Borges, RO Ritchie, M Asta - Science Advances, 2024 - science.org
Controlling the balance between strength and damage tolerance in high-entropy alloys
(HEAs) is central to their application as structural materials. Materials discovery efforts for …

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 …

Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys

H Zheng, LTW Fey, XG Li, YJ Hu, L Qi… - npj Computational …, 2023 - nature.com
Refractory multi-principal element alloys (RMPEAs) are promising materials for high-
temperature structural applications. Here, we investigate the role of short-range ordering …

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 …