activity
20232025
most citedGeneral-purpose machine-learned potential for 16 elemental metals and their alloys

203 citations · 208 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2025★ 1 cited

Dual Role of Nb in Defect-Mediated Strength and Ductility of γ-TiAl Alloys

Zhiqiang Zhao, Siyao Shuang, Kepeng Ouyang +8

The origin of the superior high-temperature strength of γ-TiAl with high Nb addition remains highly controversial, largely due to the unclear role of Nb atoms. Using large-scale hy…

cond-mat.mtrl-sci2025

Anomalous strain-dependent thermal conductivity in superelastic screw-dislocated graphites

Yu Li, Zhiqiang Zhao, Zhuhua Zhang +2

The design of strain-stable, or even strain-enhanced thermal transport materials is critical for stable operation of high-performance electronic devices. However, most nanomaterial…

cond-mat.mes-hall2025★ 1 cited

A high-efficiency neuroevolution potential for tobermorite and calcium silicate hydrate systems with ab initio accuracy

Xiao Xu, Shijie Wang, Haifeng Qin +4

Tobermorite and Calcium Silicate Hydrate (C-S-H) systems are indispensable cement materials but still lack a satisfactory interatomic potential with both high accuracy and high com…

cond-mat.mtrl-sci2024★ 3 cited

A general-purpose neural network potential for Ti-Al-Nb alloys towards large-scale molecular dynamics with ab initio accuracy

Zhiqiang Zhao, Wanlin Guo, Zhuhua Zhang

High Nb-containing TiAl alloys exhibit exceptional high-temperature strength and room-temperature ductility, making them widely used in hot-section components of automotive and aer…

cond-mat.mtrl-sci2023★ 203 cited

General-purpose machine-learned potential for 16 elemental metals and their alloys

Keke Song, Rui Zhao, Jiahui Liu +25

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicabil…