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K-edge Absorption spectra in Warm Dense Matter

机译:温热致密物质的K-Edge吸收光谱

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The recent development of compact, short (ps or sub-ps) X-ray sources gives access to the structural nature of short time-scale phenomena and to the study of very transient systems such as warm dense materials. Among the structural tools used for the study of static (solid) materials,X-ray Absorption Fine Structure (XAFS) spectroscopy has proven to provide useful information on the local structure (atomic arrangement) and on the electronic Density of States. In a context where the matter is disordered but highly correlated, we present K-edge absorption studies of warm, dense aluminum. The range of temperature starts from the solid and extend to the strongly correlated plasma regime. We describe here two theoretical approaches for the the calculation of the K-edge absorption features. The first one involves a (Modified) HyperNetted Chain - Neutral Pseudo Atom (MHNC-NPA) model of dense matter coupled with a specific model of the XAFS features. The second one is based on ab initio Quantum Molecular Dynamics (QMD) simulations from which a Kubo-Greenwood formulation combined with the Projector Augmented Wave (PAW) formalism gives a direct access to the X-ray absorption spectra. These spectra are compared with recent Kedge absorption measurements in aluminum targets isochorically heated by laser-created protons and probed by a short X-ray backlighting source.
机译:最近的紧凑型,短(PS或Sub-PS)X射线源的开发,可获得短时间规模现象的结构性质,并对非常瞬态系统(如温致密材料)的研究。在用于研究静态(固体)材料的结构工具中,X射线吸收细结构(XAFS)光谱已经证明是关于局部结构(原子排列)的有用信息和状态的电子密度。在问题紊乱但高度相关的背景下,我们呈现了温暖,致密铝的K-Edge吸收研究。温度范围从固体开始并延伸到强相关的等离子体状态。我们在这里描述了两个理论方法,用于计算K-Edge吸收特征。第一个涉及(修改的)的高纳的链中立中性伪原子(MHNC-NPA)模型与XAFS特征的特定模型耦合。第二个基于AB Initio量子分子动力学(QMD)模拟,从中,与投影仪增强波(PAW)形式主义相结合的Kubo-Greenwood配方可直接进入X射线吸收光谱。将这些光谱与最近通过激光产生的质子同化加热的铝靶中的铝靶标的测量值进行比较,并通过短X射线背光源探测。

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