Molecular dynamics study of one-component soft-core system: thermodynamic properties in the supercooled liquid and glassy states.

Abstract

Molecular dynamics simulations were performed to study the thermal properties of a supercooled liquid near the glass transition regime and of glasses in a one-component soft-core system with the pair potential φn(r) = ɛ(σ/r)(n), in which n = 12. The results are examined along a phase diagram, in which the compressibility factor defined by [Formula: see text… (More)
DOI: 10.1063/1.4799880

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