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首页> 外文期刊>Crystallography reports >Diffusion Paths for Interstitial Impurities in Different Polymorphic Modifications of Niobium Silicide Nb5Si3
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Diffusion Paths for Interstitial Impurities in Different Polymorphic Modifications of Niobium Silicide Nb5Si3

机译:硅化铌的不同多态性修饰中的间质杂质的扩散路径NB5SI3

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摘要

Structural models of the alpha, beta, and gamma modifications of Nb5Si3 silicides, which are used as a reinforcing phase in composites obtained in situ based on the Nb-Si system, have been constructed by computer simulation methods. A geometric analysis of unit cells is performed using the H-poisk program to estimate the voids existing in the structures. The results of measuring the number of voids and their sizes are reported. A conclusion about possible diffusion paths of interstitial boron, carbon, nitrogen and oxygen atoms is drawn based on the calculation results, and the solubility of these impurities in the structure of each Nb5Si3 modification is estimated.
机译:通过计算机仿真方法构建了基于NB-Si系统的基于NB-Si系统的复合材料中使用的NB5SI3硅化物的结构模型,已经通过计算机模拟方法构建。 使用H-Poisk程序执行单位小区的几何分析,以估计结构中存在的空隙。 报道了测量空隙数量及其尺寸的结果。 基于计算结果绘制了间质硼,碳,氮和氧原子的可能扩散路径的结论,估计这些杂质在每个NB5SI3改性的结构中的溶解度。

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