Loosening of the structure in a mixed alkali glass | Zendy

Junko Habasaki | Zendy; Yasuaki Hiwatari | Zendy

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Loosening of the structure in a mixed alkali glass

Author(s) -

Junko Habasaki,

Yasuaki Hiwatari

Publication year - 1998

Publication title -

physical review. e, statistical physics, plasmas, fluids, and related interdisciplinary topics

Language(s) - English

Resource type - Journals

eISSN - 1095-3787

pISSN - 1063-651X

DOI - 10.1103/physreve.58.5111

Subject(s) - alkali metal , diffusion , jump , ionic bonding , chemical physics , materials science , ion , jump diffusion , jump process , molecular dynamics , thermodynamics , physics , chemistry , computational chemistry , quantum mechanics

It is known that both loosening of glass structure and reduction of ionic diffusion coefficient occur in themixed alkali system. We have performed molecular dynamics simulations of the mixed alkali system and haveobserved both characteristics in different time regions. A large decrease in the ionic diffusion coefficient is dueto the interception of the jump where the jump path keeps its characteristics. The contribution of accelerateddynamics due to cooperative jumps decreases in such paths. On the other hand, in longer time regions, themotion of the framework has been found to accompany the small number of jump events of alkali metal ionsto unlike ion sites. @S1063-651X~98!03210-3

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