Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA.
Max-Planck-Institut für Festkörperforschung, D-70569 Stuttgart, Germany.
Sci Rep. 2016 Dec 15;6:39212. doi: 10.1038/srep39212.
The relationships among the pressure P, volume V, and temperature T of solid-state materials are described by their equations of state (EOSs), which are often derived from the consideration of the finite-strain energy or the interatomic potential. These EOSs consist of typically three parameters to determine from experimental P-V-T data by fitting analyses. In the empirical approach to EOSs, one either refines such fitting parameters or improves the mathematical functions to better simulate the experimental data. Despite over seven decades of studies on EOSs, none has been found to be accurate for all types of solids over the whole temperature and pressure ranges studied experimentally. Here we show that the simple empirical EOS, P = α1(PV) + α2(PV)2 + α3(PV)3, in which the pressure P is indirectly related to the volume V through a cubic polynomial of the energy term PV with three fitting parameters α1 − α3, provides accurate descriptions for the P-vs-V data of condensed matter in a wide region of pressure studied experimentally even in the presence of phase transitions.
固态物质的压力 P、体积 V 和温度 T 之间的关系由其状态方程 (EOS) 描述,这些方程通常源于有限应变能或原子间势的考虑。这些 EOS 通常由三个参数组成,需要通过拟合分析从实验 P-V-T 数据中确定。在状态方程的经验方法中,人们要么改进这种拟合参数,要么改进数学函数,以更好地模拟实验数据。尽管对状态方程进行了超过 70 年的研究,但在实验研究的整个温度和压力范围内,没有一种状态方程被发现对所有类型的固体都适用。在这里,我们表明,简单的经验状态方程 P=α1(PV)+α2(PV)2+α3(PV)3,其中压力 P 通过能量项 PV 的三次多项式与三个拟合参数α1-α3间接相关,为实验研究的压力范围内的凝聚态物质的 P-V 数据提供了准确的描述,即使在相变存在的情况下也是如此。