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首页> 外文期刊>Journal of synchrotron radiation >High-temperature EXAFS study of solid and liquid rhodium
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High-temperature EXAFS study of solid and liquid rhodium

机译:固态和液态铑的高温EXAFS研究

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摘要

Accurate EXAFS spectra of solid and liquid rhodium at very high temperature were recorded at the E.S.R.F. (BM29, Grenoble) The short range g(r) was determined using reliable EXAFS data-analysis methods based on ab-initio multiple scattering calculations. Experimental results were compared with molecular-dynamics (MD) calculations. The first neighbor distribution departs from a simple Gaussian model, even at moderate temperatures in the solid phase.
机译:在E.S.R.F.中记录了非常高温度下固态和液态铑的精确EXAFS光谱。 (BM29,格勒诺布尔)使用可靠的EXAFS数据分析方法,基于从头算的多次散射计算,确定了短距离g(r)。将实验结果与分子动力学(MD)计算进行了比较。即使在固相的中等温度下,第一邻居分布也偏离了简单的高斯模型。

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