期刊
IONICS
卷 24, 期 5, 页码 1371-1376出版社
SPRINGER HEIDELBERG
DOI: 10.1007/s11581-017-2302-8
关键词
Ag+ conductors; Diffusion; Glasses; Ionic conductivities; Modeling
资金
- JSPS [JP15K05136]
- Grants-in-Aid for Scientific Research [15K05136] Funding Source: KAKEN
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.
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