Simulation of transport properties of α-AgI1 − x Clx(0 < x < 0.25) by the molecular dynamics method

Autor:	B. Yu. Mazniker, E. S. Povolotskaya, A. K. Ivanov-Shitz
Rok vydání:	2002
Předmět:	Molecular dynamics Chemistry Diffusion Chlorine atom Physics::Atomic and Molecular Clusters Ionic conductivity Physical chemistry Thermodynamics General Materials Science General Chemistry Physics::Chemical Physics Condensed Matter Physics Solid solution
Zdroj:	Crystallography Reports. 47:117-119
ISSN:	1562-689X 1063-7745
DOI:	10.1134/1.1447038
Popis:	The transport characteristics of the α-AgI1 − x Clx solid solutions have been calculated by the molecular dynamics method. It is established that the diffusion coefficient of cations decreases with an increase in the concentration of chlorine atoms, which agrees with the well-known experimental data on the behavior of ionic conductivity.
Databáze:	OpenAIRE
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