从计算机模拟中获得漫射散射模式——回顾。

T. Welberry
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摘要

本文介绍了原子模型晶体的漫射散射计算在近50年来的发展情况。随着电子区域探测器和同步辐射的出现,不仅观测到的漫射x射线散射数据的质量得到了极大的提高,而且计算机能力的巨大提高也使得从蒙特卡罗模型中计算出与观测结果质量相当的模式成为可能。
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Obtaining diffuse scattering patterns from computer simulations - a retrospective.
The paper describes how the calculation of diffuse scattering from atomistic model crystals has developed over the last approximately 50 years. Not only has the quality of observed diffuse X-ray scattering data improved immensely with the advent of electronic area detectors and synchrotron radiation but the enormous increase in computer power has enabled patterns, of comparable quality to the observations, to be calculated from a Monte Carlo model.
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