2021
DOI: 10.31349/revmexfis.67.061001
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Structural and thermodynamic properties for the BaMn(Fe=V)F7 Fluoride glass system by using the Hybrid Reverse Monte Carlo simulation

Abstract: The Hybrid Reverse Monte Carlo (HRMC) simulation has been widely used as a very useful method for displaying the pair partial distribution functions (PDFs) g(r) eliminating as soon as possible the artificial satellite peaks appear by the RMC simulation. The HRMC is an extension of the RMC algorithm, which introduces an energy penalty term (potential) in the acceptance criteria.The glass retains the structure presented by the liquid at the glass transition temperature Tg, and the thermodynamic properties are in… Show more

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