# NNIP-FeCH

**Repository Path**: pfsuo/NNIP-FeCH

## Basic Information

- **Project Name**: NNIP-FeCH
- **Description**: NNIP-FeCH from github
- **Primary Language**: Unknown
- **License**: Not specified
- **Default Branch**: main
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2025-09-16
- **Last Updated**: 2025-09-16

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

The NNIP is for the ternary $\alpha$-Fe-C-H system, it can well describe interactions of H/C with perfect and defective $\alpha$-Fe, H with cementite, H with ferrite-cementite interface, also works well for $\alpha$-Fe, hydrogen gas.
please cite: a paper which has been accepted by JOM  entitled: Machine-learning Interatomic Potentials for the Ternary α-Fe–C–H System: Toward Million-Atom Simulations of Hydrogen Embrittlement in Steel