铋的固相及液相多相状态方程研究
Multiphase equation of states of solid and liquid phases for bismuth
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摘要: 铋在高温高压下存在一系列复杂相结构,相变伴随着密度、内能等物理性质的改变.采用半经验三项式Helmholtz自由能表达式,构建了铋的五个固相及液相的多相状态方程,其中离子热振动自由能计算基于经典平均场理论给出的平均场势函数模型开展.研究结果表明,状态方程计算给出的铋的相图、等温压缩线、液相的温度一密度曲线以及冲击Hugoniot线等均与实验测量符合较好,故可认为本文构建的铋的多相状态方程具有良好的参数合理性以及模型适用性.Abstract: Element bismuth (Bi) will experience complex phase transitions under high temperature and high pressure, which means signifi- cant changes in physical properties, such as density, energy, etc. Multiphase equations of states (EOSs) of both solid and liquid phases for Bi are presented. The EOSs are based on the three-term expression for Helmholtz free energy, where the ion vibration free energy is evaluated from the mean field potential model we recently proposed. The calculated results show that our multiphase EOSs can well reproduce the experimental data, including phase diagram, isotherms of solid phases, density measurements of liquid phase and shock-wave compression data, which proves the rationality of the parameter values and the universal nature of this model.
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