156 citations · 156 across the 4 of their papers we have counts for
5 papers
Evidence for Distributed Fault Energetics and Their Impact on Deformation in a Chemically Complex Alloy
Kaijun Yin, Jun-Ping Du, Peijun Yu +7
Chemically complex alloys feature intrinsically heterogeneous local chemical environments and, consequently, fluctuations in local fault energetics. However, experimentally quantif…
Dual Role of Mobile Interstitials in Defect Kinetics: From Retardation to Acceleration
Shihao Zhang, Shihao Zhu, Junping Du +3
Mobile interstitial atoms redistribute while defects migrate, complicating prediction of defect kinetics and leading to contradictory reports of acceleration and retardation. We fo…
Achieving Empirical Potential Efficiency with DFT Accuracy: A Neuroevolution Potential for the -Fe--C--H System
Fan-Shun Meng, Shuhei Shinzato, Zhiqiang Zhao +4
A neuroevolution potential (NEP) for the ternary -Fe--C--H system was developed based on a database generated from spin-polarized density functional theory (DFT) calculations, a…
An empirical formulation of accelerated molecular dynamics for simulating and predicting microstructure evolution in materials
Liang Wan, Qingsong Mei, Haowen Liu +4
Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we…
Hydrogen embrittlement controlled by reaction of dislocation with grain boundary in alpha-iron
Liang Wan, Wen Tong Geng, Akio Ishii +4
Hydrogen atoms absorbed by metals in the hydrogen-containing environments can lead to the premature fracture of the metal components used in load-bearing conditions. Since metals u…