从fcc到sc的相变模型：压力诱导相变

提出了一个从面心立方（ｆｃｃ）到简立方（ｓｃ）的相变模型，模型中的粒子之间的相互作用是势是各向异性的Ｌｅｎｎａｒｄ－Ｊｏｎｅｓ势，用ＭｏｎｔｅｔＣａｒｌｏ方法研究了该模型的有序无序转变以及相变温度与压力的关系，结果表明，序参量和晶格常数随温度而增大并在相变点有一个突变，亚稳态的存在和两相共存表明该相变是一个典型的一级相变，该模型可以唯象地描述固体Ｃ５０的相变特征。

A MODEL OF PHASE TRANSITION FROM fcc TO sc:PRESSURE INDUCED TRANSITION

A model of transition from face centered cubic (fcc) to simple cubic (sc) is constructed. In the model, the interaction between particles is the anisotropic Lennard Jones potential, the order disorder transition and the pressure dependence of the transition temperature of the model have been studied by the Monte Carlo method. The results show that the order parameter and the lattice constant increase with the temperature and have a abrupt change at the transition temperature. The occurrence of metastable states and coexistence of phase show that the transition is a typical first order transition. The model may phenomeno logically describe many characters of order disorder transition in solid C 60 .