Nano-scale phase separation in amorphous Fe-B alloys: Atomic and cluster ordering
Nano-scale phase separation in amorphous Fe-B alloys: Atomic and cluster ordering
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DOI：
10.1016/j.actamat.2008.09.005
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发表时间：
2009-01-01
期刊：
影响因子：
9.4
通讯作者：
Akdeniz, M. V.
中科院分区：
文献类型：
--
作者：
Aykol, M.;Mekhrabov, A. O.;Akdeniz, M. V.
通过赝势近似下的合金电子理论结合蒙特卡罗平衡和反向蒙特卡罗模拟计算相互作用场，对非晶态Fe80B20和Fe83B17合金中出现的纳米级相分离进行了研究。从三个拓扑方面对该现象进行了识别：（1）发现存在大小约为0.9纳米的纯铁簇以及厚度约为0.72纳米的纯铁轮廓；（2）观察到富铁的高度变形体心立方区域；（3）发现以硼为中心的棱柱单元形成高配位和低配位的不同区域。硼棱柱以多面体有序为主。所有拓扑方面都被汇编成一个二维投影模型，用于预测对短程和中程有序的贡献以及相应的间距关系。结果在几何上涉及近似黄金比例的比例。（C）2008 Acta Materialia Inc.由Elsevier Ltd.出版。保留所有权利。
Nano-scale phase separation encountered in metallic glasses is investigated for amorphous Fe80B20 and Fe83B17 alloys in an interaction field calculated via electronic theory of alloys in pseudopotential approximation combined with MC equilibration and reverse MC simulation. The phenomenon is identified regarding three topological aspects: (1) pure Fe-clusters as large as similar to 0.9 nm and pure Fe-contours similar to 0.72 nm thick are found to exist; (2) Fe-rich highly deformed-bcc regions are observed; (3) B-centered prismatic units are found to form distinct regions of high and low coordination. Polytetrahedral order prevails for B-prisms. All topological aspects are compiled into a two-dimensional projection model for predicting contributions to short- and medium-range order and corresponding spacing relations. The outcome geometrically involves proportions approximating the golden ratio. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.