Lennard-Jones Mixing Rule Calculator

Potential Parameters of a Pair of A-B Atom

Link of this site: https://sites.google.com/view/riset-arkundato/lj-mixingrule

Released on 10 July 2022 citing this site : https://sites.google.com/view/riset-arkundato/mixingrule Dr. Artoto Arkundato

MIXING RULE CALCULATOR FOR LENNARD-JONES POTENTIAL

Description: The following CALCULATOR are tables for calculating potential parameters of Lennard-Jones with various mixing formula schemes

Dr. Artoto Arkundato, S.Si., M.Si Ver 01. Created on 09 July 2022.

If you use this CALCULATOR, please don't forget to include the citation of this website and also related article in your publication. Thanks

https://sites.google.com/view/riset-arkundato/mixingrule
https://journalskuwait.org/kjs/index.php/KJS/article/view/17205

New Mixing Rule of Lennard-Jones Potential Parameter

Artoto Arkundato et al

Diffusion coefficient calculation of iron in liquid lead using molecular dynamics method with new mixing rule for Lennard-Jones potential parameters DOI: 10.48129/kjs.17205

Lorentz Bertholet Mixing Rule of Lennard-Jones Potential

Reference:https://en.wikipedia.org/wiki/Combining_rules

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Collect. Czech. Chem. Commun. 2009, Vol. 74, No. 2, pp. 363–391 doi:10.1135/cccc2007198

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