463 citations · 571 across the 5 of their papers we have counts for
4 papers · 1 filter
A Transferable Machine-Learned Potential Enabling Large-Scale Copper-Carbon Simulations from Equilibrium to Extreme Conditions
Feiyu Zhou, Wei Qiu, Yan Chen +4
Cu-C materials and interfaces are central to diamond thermal management, metallization, graphene growth and carbon-coating technologies, but atomistic simulations across these appl…
Side-Chain Tuning of Thermal-Expansion Crossover in Metal-Organic Frameworks
Wei Qiu, Penghua Ying
Achieving continuous control over macroscopic thermal expansion remains a fundamental challenge in solid-state physics. Using classical and path-integral molecular dynamics alongsi…
Sub-micrometer phonon mean free paths in metal-organic frameworks revealed by machine-learning molecular dynamics simulations
Penghua Ying, Ting Liang, Ke Xu +4
Metal-organic frameworks (MOFs) are a family of materials that have high porosity and structural tunability and hold great potential in various applications, many of which requirin…
Investigation of Deformation and Fracture Mechanisms in Two-dimensional Gallium Telluride Multilayers Using Nanoindentation
Yan Zhou, Shi Zhou, Penghua Ying +12
Two-dimensional (2D) materials possess great potential for flexible devices, ascribing to their outstanding electrical, optical, and mechanical properties. However, their mechanica…