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摘要翻译：
从理论上研究了初始孔隙率分别为1.0、1.26、1.83和2.31的冲击压缩钼的Hugoniot曲线。计算方法结合了零温和有限温电子贡献的第一性原理处理和离子热对总自由能贡献的平均场势方法。我们的计算结果很好地再现了多孔钼的Hugoniot性质。特别是在低孔隙率下，计算表明在所有数据范围内与实验测量完全一致。对于1.83和2.31两个大孔隙率值，在3.5km/s的粒子速度下，我们的结果与实验数据吻合得很好，并且随着粒子速度的进一步增加，有高估冲击波速度和Hugoniot压强的趋势。此外，还对多孔钼沿主Hugoniot方向的温度进行了广泛的研究。
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英文标题：
《Equation of state for shock-compressed porous molybdenum from
first-principles mean-field potential calculations》
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作者：
Qili Zhang, Ping Zhang, Gongmu Zhang, Haifeng Liu
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最新提交年份：
2007
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分类信息：
一级分类：Physics 物理学
二级分类：Materials Science 材料科学
分类描述：Techniques, synthesis, characterization, structure. Structural phase transitions, mechanical properties, phonons. Defects, adsorbates, interfaces
技术，合成，表征，结构。结构相变，力学性质，声子。缺陷，吸附质，界面
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一级分类：Physics 物理学
二级分类：Statistical Mechanics 统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
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英文摘要：
The Hugoniot curves for shock-compressed molybdenum with initial porosities of 1.0, 1.26, 1.83, and 2.31 are theoretically investigated. The method of calculations combines the first-principles treatment for zero- and finite-temperature electronic contribution and the mean-field-potential approach for the ion-thermal contribution to the total free energy. Our calculated results reproduce the Hugoniot properties of porous molybdenum quite well. At low porosity, in particular, the calculations show a complete agreement with the experimental measurements over the full range of data. For the two large porosity values of 1.83 and 2.31, our results are well in accord with the experimental data points up to the particle velocity of 3.5 km/s, and tend to overestimate the shock-wave velocity and Hugoniot pressure when further increasing the particle velocity. In addition, the temperature along the principal Hugoniot is also extensively investigated for porous molybdenum.
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PDF链接：
https://arxiv.org/pdf/708.313
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