eam-potential-using-lammps
This a simulation of lithium melting carried out in LAMMPS a Molecular Dynamics software.
Science Score: 44.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
-
○Academic publication links
-
○Academic email domains
-
○Institutional organization owner
-
○JOSS paper metadata
-
○Scientific vocabulary similarity
Low similarity (2.8%) to scientific vocabulary
Repository
This a simulation of lithium melting carried out in LAMMPS a Molecular Dynamics software.
Basic Info
- Host: GitHub
- Owner: ronfan
- Language: Shell
- Default Branch: main
- Size: 247 KB
Statistics
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
EAM-potential-using-LAMMPS
This a simulation of lithium melting carried out in LAMMPS a Molecular Dynamics software.
The set pu is a two boxes, a section of solid and a section of liquid and the two box are put in contact to investigate the melting temperature of
lithium-body centred and face centred structure. The aime of the simulation is to plot a melting curve.
The simulation for this project utilises the EAM potential data trained by Nichol and Ackland through Machine Learning.
Owner
- Login: ronfan
- Kind: user
- Repositories: 1
- Profile: https://github.com/ronfan
Citation (CITATION.cff)
cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: Li
given-names: RongFang
orcid: https://orcid.org/1234-5678-9101-1121
title: "LAMMPS Molecular dynamics simulation of Lithium structure BCC and FCC"
version: 2.0.4
doi: 10.5281/zenodo.1234
date-released: 2023-04-06