Clérouin Jean, Renaudin Patrick, Noiret Pierre
Département de Physique Théorique et Appliquée, CEA/DAM Ile-de-France, Bruyères-le-Châtel 91297 Arpajon Cedex, France.
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Feb;77(2 Pt 2):026409. doi: 10.1103/PhysRevE.77.026409. Epub 2008 Feb 28.
We measured the thermodynamical and transport properties of boron in the warm dense matter regime ( 15000 K<T<25000 K and rho=0.094 g/cm3). Experimental data are compared with quantum molecular dynamics (QMD) simulations. We find a very good agreement between data and calculations, which permits us to transform experimental energies into temperatures, and allows us to compare conductivities with an average atom model coupled with a Kubo-Greenwood calculations. Contact is made between computationally intensive QMD simulation codes and fast average atom models.
我们测量了处于温稠密物质状态(15000 K < T < 25000 K且ρ = 0.094 g/cm³)下硼的热力学和输运性质。将实验数据与量子分子动力学(QMD)模拟结果进行了比较。我们发现数据与计算结果非常吻合,这使我们能够将实验能量转换为温度,并能将电导率与结合了久保 - 格林伍德计算的平均原子模型进行比较。在计算量较大的QMD模拟代码与快速平均原子模型之间建立了联系。