3 years ago

Structure and transport properties of AgI–AgCl–CsCl glasses: molecular dynamics study

Shigeki Matsunaga

Abstract

Molecular dynamics (MD) simulation have been performed to investigate the structure and transport properties of molten and glass state of silver alkali halide, AgI–AgCl–CsCl. The screened Born-Mayer type potentials including the polarizability of ions have been used in MD. The temperature dependence of the structure, conductivity, share viscosity, and relaxation times have been discussed by MD results. Electrical density of states for molten and glass states have also been examined using ab initio calculation.

Publisher URL: https://link.springer.com/article/10.1007/s11581-017-2302-8

DOI: 10.1007/s11581-017-2302-8

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