Phase Properties, Electronic States, and Atomic and Molecular Processes in Dense Multi-Ionic Plasmas

在自然界和实验室中遇到的稠密等离子体包括多离子物种的混合物。可能的相变（冻结、相分离、电离等）以及与之相关的原子过程是天体物理、惯性约束聚变研究和凝聚态物理应用中的重要问题.通过Monte Carlo（MC）模拟和积分方程理论的结合，精确确定了具有不同电荷比和组成的多种离子混合物的状态方程。绘制了白矮星材料（C-0，CFe，C-Ne-Fe）的相图.稠密氢等离子体状态方程、输运系数和屏蔽函数的解析模拟。“初始里德伯态”反映了金属-绝缘体边界附近强的电子-离子关联，以物理透明的方式被引入.稠密等离子体中核反应的一般和特殊特征的阐明：核聚变反应被分为二元过程（伽莫夫），少粒子过程（电子屏蔽）和多粒子过程（核间关联）。计算了白色矮星中C-C核反应率和金属物质中p-d、d-d和p-Li核反应率.利用MC模拟计算了中子星外壳的电导率和弹性模量.对库仑固体的自由能进行了量子MC模拟，得到了量子固体的状态方程.建立了描述原子态的自旋密度泛函方法。通过对He基态的显式计算，证实了该方法的有效性和准确性。

Dense plasmas encountered in nature and laboratories consist in mixtures of multi-ionic species. Possible phase transitions (freezing, phase separation, ionization, etc.) and associated atomic processes are important issues in the applications to astrophysics, inertialconfinement fusion research, and condensed matter physics.The progress made in this research includes the following :1. Accurate determination of the equations of state for a variety of ionic mixtures with different charge ratios and compositions through combination of Monte, - Carlo (MC) simuations and integral-equation theories. Phase diagrams for the white-dwarf stellar materials (C-0, CFe, C-Ne-Fe) have been constructed.2. Analytical modeling of the equations of state, the transport coefficients and the screening functions in dense hydrogen plasmas. "Incipient Rydberg states", reflecting the strong electron-ion correlations near the metal-insulator boundaries, have been incorporated in a physically transparent manner.3. Elucidation of general and specific features for nuclear reactions in dense plasmas : The nuclear-fusion reactions have been classified into the binary processes (Gamow), few-particle processes (electron-screened), and many-particle processes (internuclear correlations). The nuclear reaction rates for C-C in white -dwarfs and for p-d, d-d, and p-Li in metallic substances have been calculated.4. Conductivities and elastic moduli of the outer crust of neutron stars have been computed by means of MC simulations.5. Quantum MC simulations have been carried out for the free energy of Coulomb solids ; equation of state for quantum solids has been obtained.6. A spin-density functional method for describing atomic states has been formulated. The validity and accuracy have been confirmed through an explicit calculation of the He ground state.