Memoirs of the Faculty of Engineering, Okayama University
Published by Faculty of Enginerring, Okayama University

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Memoirs of the School of Engineering, Okayama University

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Molecular Dynamics ofa Coulomb System with Deformable Periodic Boundary Conditions

Totsuji, Hiroo
Shirokoshi Hideki
Abstract
Variable shape molecular dynamics is formulated for the one-component plasma and the structural transition from the fcc lattice to the bcc lattice has been observed. It is emphasized that the condition of constant volume should be imposed when deformations of periodic boundary conditions are taken into account.
ISSN
0475-0071
NCID
AA10699856