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Theoretical investigation on the solid-liquid phase transition of gallium through free energy analysis

Anuj Debnath1, Chandan K Das2

  • 1Department of Chemical Engineering, National Institute of Technology Rourkela, Rourkela, 769008, India.

Journal of Molecular Modeling
|March 27, 2024
PubMed
Abstract

Keywords:
And Gibbs–Duhem integrationFree energyModified embedded atom method (MEAM) potentialMultiple histogram reweighting (MHR)Pseudo-supercritical path

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