SiC-1SSF-MLFF
Published: 19 April 2024| Version 1 | DOI: 10.17632/h8jsf45skc.1
Contributor:
Haonan ChenDescription
Trained MLFF to simulate 1SSFs in 4H-SiC. See "Machine-learning enhanced thermal stability investigation of single Shockley stacking faults in 4H-SiC" for details.
Files
Steps to reproduce
The MLFF was trained using VASP with hundreds of on-the-fly MLFF MD simulations in a designed scheme. See article "Machine-learning enhanced thermal stability investigation of single Shockley stacking faults in 4H-SiC" for details.
Institutions
Xiamen University
Categories
Silicon Carbide, Dislocation, Force Field
Funding
Ministry of Science and Technology of the People's Republic of China
2021YFB3401604