论文标题
\ textIt {ab intib}对冲击压缩铜的研究
An \textit{ab initio} study of shock-compressed copper
论文作者
论文摘要
我们通过密度功能理论分子动力学模拟在温暖的物质状态下研究了冲击压缩的铜。我们使用神经网络驱动的原子间电位来增加模拟框的大小，并在流体动力学上提取热力学特性。我们显示了模拟结果与在环境压力下在熔点附近的固体铜和液体铜下的实验数据的一致性。此外，对冲击压缩的铜中的动态离子离子结构因子进行了彻底的分析，并提取了声音的绝热速度，并与实验数据进行了比较。
We investigate shock-compressed copper in the warm dense matter regime by means of density functional theory molecular dynamics simulations. We use neural-network-driven interatomic potentials to increase the size of the simulation box and extract thermodynamic properties in the hydrodynamic limit. We show the agreement of our simulation results with experimental data for solid copper at ambient conditions and liquid copper near the melting point under ambient pressure. Furthermore, a thorough analysis of the dynamic ion-ion structure factor in shock-compressed copper is performed and the adiabatic speed of sound is extracted and compared with experimental data.
