Dynamics from diffraction

Goodwin AL; Tucker MG; Cope ER; Dove MT; Keen DA

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Dynamics from diffraction

机译：衍射动力学

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We explore the possibility that detailed dynamical information might be extracted from powder diffraction data. Our focus is a recently reported technique that employs statistical analysis of atomistic configurations to calculate dynamical properties from neutron total scattering data. We show that it is possible to access the phonon dispersion of low-frequency modes using such an approach, without constraining the results in terms of some pre-defined dynamical model. The high-frequency regions of the phonon spectrum are found to be less well preserved in the diffraction data. (c) 2006 Published by Elsevier B.V.

机译：我们探索了从粉末衍射数据中提取详细动力学信息的可能性。我们的重点是最近报道的一项技术，该技术采用原子结构的统计分析来从中子总散射数据计算动力学特性。我们表明，可以使用这种方法访问低频模式的声子色散，而不会在某些预定义的动力学模型方面限制结果。发现声子光谱的高频区域在衍射数据中保留得较差。（c）2006年由Elsevier B.V.发布

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《Physica, B. Condensed Matter》 |2006年第1期|共3页
作者
Goodwin AL; Tucker MG; Cope ER; Dove MT; Keen DA;
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正文语种 eng
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关键词
total scattering; reverse Monte Carlo; phonons; LATTICE-DYNAMICS; LEAD;

机译：总散射;反向蒙特卡罗;声子;格动学;铅;

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Dynamics from diffraction

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