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A New Method of Materials Characterization for a Complex System by Obtaining the Middle Range Ordering

机译:通过获得中间范围有序性的复杂系统材料表征的新方法

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Middle range ordering is known to be of great importance for characterizing the structure of various substances in a variety of states. This is particularly true for a complex system. An attempt has been made to present a new method for obtaining information including middle range ordering. In this method, the realistic atomic scale model structure is estimated by fitting both the ordinary interference function and the environmental interference function obtained from anomalous X-ray scattering (AXS) data with model calculation using reverse Monte Carlo (RMC) simulation technique and then middle range ordering in the range of a few nanometers can be visualized. The usefulness of this new method has been demonstrated by some impressive results of molten CuBr and corrosion products (FeOOH) formed on the steel surface.
机译:已知中间范围的排序对于表征处于各种状态的各种物质的结构非常重要。对于复杂的系统尤其如此。已经尝试提出一种用于获得包括中间范围排序的信息的新方法。在这种方法中,通过使用反蒙特卡洛(RMC)模拟技术对模型进行计算,然后对从异常X射线散射(AXS)数据获得的普通干扰函数和环境干扰函数进行拟合,从而估算真实的原子尺度模型结构可以看到几纳米范围内的有序排列。钢表面上形成的熔融CuBr和腐蚀产物(FeOOH)的一些令人印象深刻的结果证明了这种新方法的实用性。

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