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
theta-phase tantalum nitride (theta-TaN) combines metallic conductivity with exceptionally high thermal conductivity, making it a potential material for device thermal management a…
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…