2 papers
cond-mat.mtrl-sci2025
Lattice thermal conductivity of 16 elemental metals from molecular dynamics simulations with a unified neuroevolution potential
Shuo Cao, Ao Wang, Zheyong Fan +4
Metals play a crucial role in heat management in electronic devices, such as integrated circuits, making it vital to understand heat transport in elementary metals and alloys. In t…
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…