采用等压分子动力学模拟方法，研究了从晶相到液相不同温度下RbCl体系的结构和性质．等压模拟给出与等客模拟一致的平衡性质、输运性质和结构特征．键序参数计算表明，在不计及导热过程情形下，体系在振荡弛豫时间量级内完成熔化过程．由于不需要密度数据，等压模拟有望发展成为材料设计中的一种手段 The isobaric molecular dynamics simulation method was used to study the structure and properties of RbCl system from crystalline phase to liquid phase at different temperatures. Isobaric simulations give the equilibrium properties, transport properties, and structural characteristics consistent with iso-passenger simulations. The calculation of the bond order parameter shows that the system completes the melting process within the order of the oscillation relaxation time without taking into account the thermal conduction process. Isobaric simulation is expected to develop as a means of material design due to the lack of density data