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Dynamical Ionic Clusters with Flowing Electron Bubbles from Warm to Hot Dense Iron along the Hugoniot Curve

机译:具有流动电子气泡的动态离子团簇从暖到热   沿着Hugoniot曲线的密铁

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摘要

The complex structures of warm and hot dense matter are essential tounderstand the behaviors of materials in high energy density physics processesand provide new features of matter constitutions. Here, along a new unifiedfirst-principle determined Hugoniot curve of iron from normal condensedcondition up to 1 Gbar, the novel structures characterized by the ionicclusters and separated "electron bubbles" are revolutionarily unraveled usingnewly developed quantum Langevin molecular dynamics (QLMD). Subsistence ofcomplex clusters, with bonds formed by inner shell electrons of neighbor ions,can persist in the time length of 50 femto-seconds dynamically with quantumflowing bubbles, which are produced by the interplay of Fermi electrondegeneracy, the ionic coupling and the dynamical nature. With the inclusion ofthose complicated features in QLMD, the present data could serve as afirst-principle benchmark in a wide range of temperatures and densities.
机译:热和热致密物质的复杂结构对于理解高能密度物理过程中材料的行为并提供物质构成的新特征至关重要。在这里,沿着一条新的统一的第一性原理,从常态冷凝状态到1 Gbar的铁的Hugoniot曲线,利用新开发的量子朗格文分子动力学(QLMD)革命性地揭示了以离子团簇和分离的“电子气泡”为特征的新型结构。由费米电子简并,离子耦合和动力学性质的相互作用产生的量子流气泡,可以使动态团簇的存在维持在50飞秒的时间范围内,而复杂团簇具有由相邻离子的内壳电子形成的键。通过在QLMD中包含这些复杂的功能,当前数据可以在各种温度和密度范围内作为第一性原则基准。

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