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Model for phase coexistence in phase transitions
Authors:Y Wang  R Ahuja  B Johansson
Abstract: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. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Keywords:pressure‐induced phase transition  phase coexistence  mean‐field potential approach  NaCl  LAPW
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