关键词: 相平衡原理, 第一性原理热力学方法, 吉布斯自由能, 相图

Abstract: Equilibrium conditions and equilibrium properties of multiphase systems are

important contents in thermodynamics teaching. In order to make students understand the

basic theory and the knowledge of thermody- namics deeply，the ab initio atomistic

thermodynamics method based on principle of phase equilibrium is analyzed in detail，and the

corresponding academic research results are introduced into teaching，which not only help to improve

students'understanding and application of thermodynamic equilibrium properties，but also provide a

certain reference for design of teaching contents.

Key words: principle of phase equilibrium, ab initio atomistic thermodynamics method, the Gibbs free energy, phase diagram