anisotropic tensile strength 1fracture mechanics 1machine-learning potentials 1molecular dynamics 1thermal management 1theta-taN 1
From the 1 of 2 linked papers with an AI index.
2 papers
cond-mat.mtrl-sci2026
Anisotropic Tensile Strength and Fracture Mechanism of -TaN: A Machine-Learning Potential Molecular Dynamics Study
Chenyang Cao, Hongfei Li, Shuo Cao
The paper uses a machine‑learning interatomic potential in molecular dynamics simulations to quantify the direction‑dependent tensile strength, elastic modulus, and fracture behavi…
cond-mat.mtrl-sci2025
Structural and transport properties of LiTFSI/G3 electrolyte with machine-learned molecular dynamics
Chenyang Cao, Liyi Bai, Shuo Cao +4
The lithium bis(trifluoromethylsulfonyl)azanide-triglyme electrolyte plays a critical role in the performance of lithium-ion batteries. However, its solvation structure and transpo…