MELTING LINE OF YUKAWA SYSTEM BY COMPUTER-SIMULATION

被引:214
作者
MEIJER, EJ
FRENKEL, D
机构
[1] FOM-Institute for Atomic and Molecular Physics, 1098 SJ Amsterdam
关键词
D O I
10.1063/1.459898
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We located the melting line of the Yukawa system by determining the free energy of both fluid and solid phases by computer simulations. At the high densities the fluid freezes into a body-centered-cubic (bcc) solid, whereas for low densities it freezes into a face-centered-cubic (fcc) solid. For both the bcc-fluid and the fcc-fluid part of the melting line two coexistence points were determined. We observed that the relative root-mean-square displacement in the solid (Lindeman ratio) varies considerable along the melting line. A the bcc-fluid part of the melting line the Lindeman ratio equals 0.19, whereas at the fcc-solid part of the melting line it is smaller than 0.16.
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页码:2269 / 2271
页数:3
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