Effects of metal impurities on the optical properties of polyethylene in the warm dense-matter regime
Effects of metal impurities on the optical properties of polyethylene in the warm dense-matter regime
复制标题
DOI：
10.1103/physrevb.81.214301
复制
发表时间：
2010-06
影响因子：
3.7
通讯作者：
D. Horner;J. Kress;L. Collins
中科院分区：
文献类型：
--
作者：
D. Horner;J. Kress;L. Collins
对于温暖的致密物质体系，我们通过采用温度依赖的密度泛函理论的量子分子动力学模拟，研究了将金属杂质（Al）引入导电性差的混合物（CH{sub 2}）对状态方程、电导率和光学性质的影响，模拟温度在1到4 eV之间，密度从环境固体到几倍压缩。只有当金属浓度高于50%时，其直流电导率和Rosseland平均不透明度等性质才与纯CH{sub 2}的结果有显著差异。该系统代表了广泛的环境，包括行星内部、惯性约束聚变胶囊和激光产生的等离子体。
For the warm dense-matter regime, we have examined the effects on the equation of state, conductivity, and optical properties of the introduction of a metal impurity (Al) into a poorly conducting mixture (CH{sub 2}) by means of quantum molecular-dynamics simulations employing temperature-dependent density-functional theory for temperatures between 1 and 4 eV and densities from ambient solid to a few times compressed. The properties such as dc conductivity and Rosseland mean opacity exhibit significant departures from the pure CH{sub 2} results only for metal concentrations above about 50%. The system is representative of a wide range of environments that include planetary interiors, inertial confinement fusion capsules, and laser-produced plasmas.