A molecular dynamics study of superionic Ag<inf>2</inf>Se

J. P. Rino; Y. M.M. Hornos; G. A. Antonio; I. Ebbsjö; R. K. Kalia; P. Vashishta

doi:10.1016/0167-2738(89)90385-8

A molecular dynamics study of superionic Ag<inf>2</inf>Se

J. P. Rino
, Y. M.M. Hornos
, G. A. Antonio
, I. Ebbsjö
, R. K. Kalia
, P. Vashishta

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Structural and dynamical correlations in superionic Ag2Se are studied with the molecular dynamics method using an effective interatomic potential which incorporates the short-range repulsion, charge-dipole and the long-range Coulomb interactions. We focus on the behavior of the pair-correlation functions, partial static structure factors, the temperature dependence of the constant of self diffusion for Ag, and Haven's ratio. The results compare favorably with experimental measurements. © 1989.

Original language	English
Pages (from-to)	968-973
Number of pages	6
Journal	Solid State Ionics
Volume	32-33
Issue number	PART 2
DOIs	https://doi.org/10.1016/0167-2738(89)90385-8
State	Published - Jan 1 1989
Externally published	Yes

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title = "A molecular dynamics study of superionic Ag2Se",

abstract = "Structural and dynamical correlations in superionic Ag2Se are studied with the molecular dynamics method using an effective interatomic potential which incorporates the short-range repulsion, charge-dipole and the long-range Coulomb interactions. We focus on the behavior of the pair-correlation functions, partial static structure factors, the temperature dependence of the constant of self diffusion for Ag, and Haven's ratio. The results compare favorably with experimental measurements. {\textcopyright} 1989.",

author = "Rino, \{J. P.\} and Hornos, \{Y. M.M.\} and Antonio, \{G. A.\} and I. Ebbsj{\"o} and Kalia, \{R. K.\} and P. Vashishta",

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AU - Rino, J. P.

AU - Hornos, Y. M.M.

AU - Antonio, G. A.

AU - Ebbsjö, I.

AU - Kalia, R. K.

AU - Vashishta, P.

PY - 1989/1/1

Y1 - 1989/1/1

N2 - Structural and dynamical correlations in superionic Ag2Se are studied with the molecular dynamics method using an effective interatomic potential which incorporates the short-range repulsion, charge-dipole and the long-range Coulomb interactions. We focus on the behavior of the pair-correlation functions, partial static structure factors, the temperature dependence of the constant of self diffusion for Ag, and Haven's ratio. The results compare favorably with experimental measurements. © 1989.

AB - Structural and dynamical correlations in superionic Ag2Se are studied with the molecular dynamics method using an effective interatomic potential which incorporates the short-range repulsion, charge-dipole and the long-range Coulomb interactions. We focus on the behavior of the pair-correlation functions, partial static structure factors, the temperature dependence of the constant of self diffusion for Ag, and Haven's ratio. The results compare favorably with experimental measurements. © 1989.

UR - https://www.scopus.com/pages/publications/0024613312

U2 - 10.1016/0167-2738(89)90385-8

DO - 10.1016/0167-2738(89)90385-8

M3 - Article

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VL - 32-33

SP - 968

EP - 973

JO - Solid State Ionics

JF - Solid State Ionics

IS - PART 2

ER -

A molecular dynamics study of superionic Ag<inf>2</inf>Se

Abstract

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