Nanometer-scale phase separation in Al60Ge30Mn10 amorphous alloy
Nanometer-scale phase separation in Al60Ge30Mn10 amorphous alloy
复制标题
Al60Ge30Mn10非晶合金纳米级相分离
DOI：
10.1016/j.jallcom.2019.06.006
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发表时间：
2019
影响因子：
6.2
通讯作者：
Jiang J. Z.
中科院分区：
文献类型：
--
作者：
Tang Y.;Wang X. D.;Cao Q. P.;Liu S. Y.;Zhang D. X.;Zhang J.;Wu Z. H.;Xie H. L.;Xiao T. Q.;Jiang J. Z.
研究了Al60Ge30Mn10非晶合金中纳米尺度的相分离现象，其中所有原子对都具有负混合热。在这里，我们使用实验（X射线衍射，X射线吸收精细结构，小角X射线散射和透射电子显微镜）和模拟（从头算分子动力学和反向蒙特卡罗）技术相结合，以解决原子和微米级结构的相分离的Al 60 Ge 30 Mn 10非晶合金。结构因子中出现三个特征峰，对应三种不同非均质结构的组分波动区。详细研究了三个特征峰的来源，并将其归因于不同的原子对。通过分析主多面体之间的局部化学有序性，我们发现不同的相在原子结构、组成和键取向有序性上表现出差异。研究结果为从原子尺度上理解Al60Ge30Mn10非晶合金中的纳米级相分离现象提供了理论依据。
Nanometer-scale phase separation has been explored in an Al60Ge30Mn10amorphous alloy, where all atomic pairs have negative heats of mixing. Here we use a combination of experimental (X-ray diffraction, X-ray absorption fine structure, small angle X-ray scattering and transmission electron microscopy) and simulation (Ab initiomolecular dynamics and reverse Monte Carlo) techniques to resolve the atomic- and micrometer-level structures in the phase-separated Al60Ge30Mn10amorphous alloy. Three characteristic peaks appear in the structure factor, linking with three kinds of composition fluctuation regions with different heterogeneous structures. The origin of three characteristic peaks is investigated in details and attributed to different atomic pairs. By analyzing the local chemical ordering between main polyhedra, we find that various phases exhibit differences in atomic structure, composition and bond-orientational order. The results obtained here provide atomic-scale understanding of the nanometer-scale phase separation phenomenon in Al60Ge30Mn10amorphous alloy.