39 citations · 72 across the 3 of their papers we have counts for
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Machine-learning interatomic potential for molecular dynamics simulation of ferroelectric KNbO3 perovskite
Hao-Cheng Thong, XiaoYang Wang, Han Wang +3
Ferroelectric perovskites have been ubiquitously applied in piezoelectric devices for decades, among which, eco-friendly lead-free (K,Na)NbO3-based materials have been recently dem…
A Tungsten Deep Neural-Network Potential for Simulating Mechanical Property Degradation Under Fusion Service Environment
XiaoYang Wang, YiNan Wang, LinFeng Zhang +2
Tungsten is a promising candidate material in fusion energy facilities. Molecular dynamics (MD) simulations reveal the atomistic scale mechanisms, so they are crucial for the under…
A Generalizable Machine-learning Potential of Ag-Au Nanoalloys and its Application on Surface Reconstruction, Segregation and Diffusion
Yinan Wang, Xiaoyang Wang, Linfeng Zhang +2
Owing to the excellent catalysis properties of Ag-Au binary nanoalloy, nanostructured Ag-Au, such as Ag-Au nanoparticles and nanopillars, have been under intense investigation. To…