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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >EXAFS measurements and reverse Monte Carlo modeling of atomic structure in amorphous Ni80P20 alloys
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EXAFS measurements and reverse Monte Carlo modeling of atomic structure in amorphous Ni80P20 alloys

机译：Ni80P20非晶态合金的原子结构的EXAFS测量和反向蒙特卡洛建模

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This paper presents a full account of the EXAFS measurements and reverse Monte Carlo (RMC) modeling of the atomic arrangements and short-to-medium range structure in an amorphous Ni-P alloy, expanding on the description included in our recent publication [H.W. Sheng, W.K. Luo, F.M. Alamgir, J.M. Bai, E. Ma, Nature 439 (2006) 419]. The atomic packing is analyzed from the standpoint of solute atoms. The short-to-medium range structure is discussed based on single-solute-centered quasi-equivalent clusters that form due to strong chemical short-range ordering, and the topological order is described in terms of both intra-cluster and inter-cluster dense packing for efficient filling of space. This analysis is also conducted for amorphous Ni80P20 prepared via different processing routes, to observe if the polyamorphism suggested in literature for amorphous Ni-P can be confirmed from the local structure perspective. The structural differences between the proposed polymorphs are apparently subtle and a full resolution of this issue is found to be beyond the capabilities of our EXAFS/RMC modeling approach. The amorphous structural features uncovered are also compared briefly with those observed before in amorphous alloy systems with positive heat of mixing. (C) 2007 Elsevier B.V. All rights reserved.
机译：本文全面介绍了EXAFS测量和非晶Ni-P合金中原子排列和短至中程结构的反向蒙特卡洛（RMC）建模，在我们最近的出版物[H.W.盛国。罗， Alamgir，J.M。Bai，E。Ma，自然439（2006）419]。从溶质原子的角度分析原子堆积。基于由于化学短程有序而形成的以单溶质为中心的准等价簇，讨论了中短范围结构，并根据簇内和簇间稠密性描述了拓扑顺序包装以有效填充空间。还对通过不同工艺路线制备的非晶态Ni80P20进行了分析，以观察是否可以从局部结构角度确认文献中建议的非晶态Ni-P的多态性。拟议的多晶型物之间的结构差异显然是微妙的，并且发现此问题的完整解决方案超出了我们的EXAFS / RMC建模方法的能力。还简单地将发现的非晶态结构特征与以前在具有正混合热的非晶态合金系统中观察到的那些进行了比较。 （C）2007 Elsevier B.V.保留所有权利。

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