SiC-1SSF-MLFF

Published: 19 April 2024| Version 1 | DOI: 10.17632/h8jsf45skc.1
Contributor:
Haonan Chen

Description

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

Licence