Computer simulation of ionic systems. Influence of boundary conditions

S.W. De Leeuw and J.W. Perram

Physica A: Statistical Mechanics and its Applications, 1981, vol. 107, issue 1, 179-189

Abstract: The results of molecular dynamics calculations for systems of charged particles under periodic boundary conditions are reported for the case in which the periodic array of particles makes a macroscopically large sphere surrounded by a continuum of dielectric constant ϵ′. It is shown that thermodynamic and most dynamic properties are independent of the nature of the surrounding medium. The conductivity σ(ω) of the system depends strongly on the dielectric properties of the surrounding medium.

Date: 1981
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:107:y:1981:i:1:p:179-189

DOI: 10.1016/0378-4371(81)90031-5

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