Model for phase coexistence in phase transitions

被引：0

作者：

Wang, Y ^{[1
]}

Ahuja, R

Johansson, B

机构：

[1] Royal Inst Technol, Dept Mat Sci & Engn, S-10044 Stockholm, Sweden

[2] Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

[3] Penn State Univ, University Pk, PA 16802 USA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2004年 / 97卷 / 06期

关键词：

pressure-induced phase transition; phase coexistence; mean-field potential approach; NaCl; LAPW;

D O I：

10.1002/qua.20003

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 propose a general model for describing the phenomena of phase coexistence in relation to pressure induced phase transformations by means of the T-P distribution in statistical thermodynamics. Using the well-known B1-B2 transition in NaCl as a prototype, we demonstrate how phase coexistence gives rise to the changes in the bulk modulus and the equation-of-state across the transition. (C) 2004 Wiley Periodicals, Inc.

引用

页码：961 / 965

页数：5

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