标题： 熔融碳中的奇异集体动力学 显示英文标题

标题： Exotic collective dynamics in molten Carbon

摘要： 熔融碳在$T=5500$~K 和压力范围$10$-$40$GPa 范围内的集体纵向和横向传播模式从{\it 从头计算}基础以及机器学习分子动力学中报告。集体动力学中的一个显著奇异特性是单组分液体的电流谱函数的双峰形状，这证明了波数范围$k>1$\AA $^{-1}$ 内存在纵向传播模式的第二分支。结果显示，反映粒子及其最近邻笼子的反相运动的时间相关函数导致了奇异低频振动分支的相同频率。广义集体模式的理论框架被应用于恢复密度-密度、磁化率的虚部和纵向电流-电流相关的时间依赖性。 显示英文摘要

摘要： Collective longitudinal and transverse propagating modes in molten Carbon at $T=5500$~K and pressure range $10$-$40$ GPa are reported from {\it ab initio} based as well as machine learned molecular dynamics. A striking exotic feature in collective dynamics is the two-peak shape of the current spectral functions of the single-component liquid, which makes evidence of a second branch of longitudinal propagating modes in the wave number range $k>1$\AA$^{-1}$. It is shown that time correlation functions reflecting the out-of-phase motion of particles and their cages of nearest neighbors results in the same frequencies of the exotic low-frequency branch of vibrations. A theoretical framework of generalized collective modes is applied to recover the time dependence of density-density, imaginary part of susceptibility and longitudinal current-current correlations.