Reverse Monte Carlo modelling of crystalline disorder

Reverse Monte Carlo modelling of crystalline disorder
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晶体无序的逆蒙特卡罗建模

DOI:
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发表时间:
2005
期刊:
影响因子:
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通讯作者:
M. Dove
M. Dove
中科院分区:
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文献类型:
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作者:
D. Keen;M. Tucker;M. Dove

文献摘要

被引文献

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反向蒙特卡罗(RMC)建模方法,虽然最初开发的解释结构数据从液体和非晶材料,已被广泛应用于类似的数据从晶体系统。这对于显示大量无序的材料特别有益。在这方面的工作将在这里简要回顾,包括一个总结的范围内的结晶材料已被研究使用RMC建模。最近的发展,特别是提高RMC建模方法的结晶系统也将被描述。
The reverse Monte Carlo (RMC) modelling method, although initially developed for interpreting structural data from liquids and amorphous materials, has been extensively applied to similar data from crystalline systems. This has been especially beneficial for materials which display a large amount of disorder. The work in this area will be briefly reviewed here, including a summary of the range of crystalline materials which have been studied using RMC modelling. Recent developments made specifically to improve the RMC modelling method for crystalline systems will also be described.