Machine learning for high-entropy alloys: Progress, challenges and opportunities

X Liu, J Zhang, Z Pei - Progress in Materials Science, 2023 - Elsevier
High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional
mechanical properties and the vast compositional space for new HEAs. However …

Probing the effects of hydrogen on the materials used for large-scale transport of hydrogen through multi-scale simulations

G Cheng, X Wang, K Chen, Y Zhang… - … and Sustainable Energy …, 2023 - Elsevier
The successful realization of a hydrogen economy is crucially dependent on a
comprehensive understanding of the effects of hydrogen on the hydrogen infrastructure …

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 …

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 …

Multiscale modeling of dislocation-mediated plasticity of refractory high entropy alloys

F Zhao, W Liu, X Yi, Y Zhang, H Duan - … of the Mechanics and Physics of …, 2024 - Elsevier
Refractory high entropy alloys (RHEAs) have drawn growing attention due to their
remarkable strength retention at high temperatures. Understanding dislocation mobility is …

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 …

Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single-and polycrystal tantalum

S Lee, H Cho, CA Bronkhorst, R Pokharel… - International Journal of …, 2023 - Elsevier
A physically-informed continuum crystal plasticity model is presented to elucidate
deformation mechanisms, dislocation evolution and the non-Schmid effect in body-centered …

Atomic-scale hidden point-defect complexes induce ultrahigh-irradiation hardening in tungsten

RY Zheng, WR Jian, IJ Beyerlein, WZ Han - Nano Letters, 2021 - ACS Publications
Tungsten displays high strength in extreme temperature and radiation environments and is
considered a promising plasma facing material for fusion nuclear reactors. Unlike other …

[HTML][HTML] Ideal simple shear strengths of two HfNbTaTi-based quinary refractory multi-principal element alloys

S Xu, WR Jian, IJ Beyerlein - APL Materials, 2022 - pubs.aip.org
Atomistic simulations are employed to investigate chemical short-range ordering in two body-
centered cubic refractory multi-principal element alloys, HfMoNbTaTi and HfNbTaTiZr, and …

Nanoindentation of tungsten: From interatomic potentials to dislocation plasticity mechanisms

FJ Domínguez-Gutiérrez, P Grigorev, A Naghdi… - Physical Review …, 2023 - APS
In this study, we employed molecular dynamics simulations, both traditional and machine
learned, to emulate spherical nanoindentation experiments of crystalline W matrices at …