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Argon force field revisited: a molecular dynamic study
- Publication Year :
- 2022
-
Abstract
- We report the improvement of five argon force fields by scaling Lennard-Jones energy ($\epsilon$) and distance ($\sigma$) parameters to reproduce liquid-vapor phase diagram and surface tension simultaneously, with molecular dynamics. Original force fields reproduce only liquid-vapor phase diagram among other properties except surface tension. Results showed that all force fields converge in a nearby region in the $\epsilon$-$\sigma$ phase space, which is different from the original values. This study gives the intervals where the numerical values of $\epsilon$ and $\sigma$ reproduce both properties mentioned above.
- Subjects :
- Condensed Matter - Soft Condensed Matter
Condensed Matter - Statistical Mechanics
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2201.08155
- Document Type :
- Working Paper