EQUATION OF STATE OF FLUID He+H2 MIXTURES UNDER HIGH PRESSURE

A statistical mechanical variational theory and an improved van der Waals one-fluid model have been used to compute the equation of state of fluid He+H₂ mixtures with different H₂:He compositions under high pressure. The first-order quantum correction is included. Comparing the present results with Monte Carlo simulations indicates that the quantum corrections for calculating the thermodynamic properties become increasingly important at lower temperatures.     

高温高密度氦的压缩特性及其结构的分子动力学模拟

用分子动力学方法和不同参数的指数 6势函数计算了T =30 4K的高密度氦的等温压缩线和能量分布 .给出了能精确描述高密度氦原子间相互作用的指数 6势函数优化参数 .并用优化的势函数计算了高密度氦T =30 0K和T =2 98K的等温压缩线 ,计算结果和实验值非常吻合 .进一步用优化的势函数模拟了高温高密度氦的状态方程及其结构 ,发现当把 ρ限定为 1 .6 0g /cm³ 时 ,其径向分布函数的第 2个峰将在 2 0 0 0～ 30 40K区间消失 ,表明此时发生了固 液相变过程 .     

高压熔化的自由体积理论

 根据液体的自由体积理论导出了高压熔化的积分表达式。利用熔点处粒子的自由体积与其平均体积之比很小这一特性,给出了简化的自由体积高压熔化公式,简化公式具有与通常使用的高压Lindemann熔化公式完全相同的形式。初步探讨了Lindemann定律的物理内涵。     

Equation of State of the Fluid He-Ne Binary Mixtures at High Pressures and High Temperatures

The fluid variational free energy model is applied to calculate the equation of state (EOS) of the fluid (Ne/3,2He/3) mixtures at 296K. The pair potential is used to describe the He-Ne interaction. The calculated EOSs at 296Kare compared with the experiments for solid Ne(He)2. The validity of the potential and the calculated model is verified by comparison. The present model is extended to calculate the equation of state of the fluid He-Ne mixtures with different He:Ne compositions in the pressure 0-160 GPa and temperature up to 10000 K.     

Melting and Grüneisen parameters of NaCl at high pressure

The Buckingham potential has been employed to simulate the melting and thermodynamic parameters of sodium chloride (NaCl) using the molecular dynamics (MD) method. The constant-volume heat capacity and Grüneisen parameters have been obtained in a wide range of temperatures. The calculated thermodynamic parameters are found to be in good agreement with the available experimental data. The NaCl melting simulations appear to validate the interpretation of superheating of the solid in the one-phase MD simulations. The melting curve of NaCl is compared with the experiments and other calculations at pressure 0－30GPa range.     

稠密氘气物态方程研究

 用二级轻气炮作为加载手段,通过瞬态辐射高温计对样品氘的冲击压缩层的光谱辐射亮度历史进行测量,测得氘气中冲击波速度和冲击温度,并用离解电离平衡方程从理论上分析了冲击压缩下稠密气体的组分,理论计算的Hugoniot曲线及冲击温度和实验结果吻合。     

准等熵压缩的数值模拟研究

 就阻抗递变的多层组合飞片对靶样品的冲击压缩过程进行了一维平面应变数值模拟计算,其中,等熵线采用逐步递推法计算。以水和钽为靶的计算结果显示,这种多层组合飞片对水和钽均产生了很好的准等熵压缩效果。其中,对水的计算结果与国外文献报道的结果一致;计算的钽/氟化锂窗口界面速度历史与实验结果十分吻合。因此,用适当匹配的多层组合飞片对靶样品产生准等熵压缩是可行的,提出的准等熵压缩的数值模拟方法是可靠的。     

超高速发射装置的数值模拟

 应用二维Lagrangian有限元程序EPFT101对超高速发射装置作数值模拟设计。对速度超过10 km/s的发射飞片作了系统研究。为防止飞片的破碎和熔化,采用密度梯度结构装置冲击固定飞片,为使固定飞片达到最大的可能发射速度,采用了筒的延伸技术,并通过数值模拟,优化了超高速发射条件。计算结果表明,当密度梯度结构装置的初始冲击速度为5.8 km/s（或6.0 km/s）时,1.063 g钛合金飞片的速度可达到10 km/s以上。飞片的纵横比为0.3。