Structure alterations in Al-Y-based metallic glasses with La and Ni addition
Structure alterations in Al-Y-based metallic glasses with La and Ni addition
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DOI：
10.1063/1.4944653
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发表时间：
2016-03
影响因子：
3.2
通讯作者：
X. M. Shi;X. D. Wang;Q. Yu;Q. Cao;D. X. Zhang;Jun-rong Zhang;T. Hu;L. Lai;Xie Hongbing;T. Xiao;J. Jiang
中科院分区：
文献类型：
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作者：
X. M. Shi;X. D. Wang;Q. Yu;Q. Cao;D. X. Zhang;Jun-rong Zhang;T. Hu;L. Lai;Xie Hongbing;T. Xiao;J. Jiang
采用高能X射线衍射、X射线吸收精细结构结合从头算分子动力学和反向MonteCarlo模拟方法研究了Al_（89）Y_（11）、Al_（90）Y_（6.5）La_（3.5）和Al_（82.8）Y_（6.07）Ni_（8La）_（3.13）金属玻璃的原子结构。结果表明，La部分取代Y原子对玻璃形成能力（GFA）的改善有限，但La原子降低了Y原子周围的有序度，也降低了以Al原子为中心的二十面体状多面体的比例.而Ni原子的加入则显著提高了GFA，使其倾向于位于以Al、Y和La原子为中心的多面体壳层中，主要形成以Ni为中心的二十面体状多面体，增强了团簇之间的空间连通性，抑制了晶化。
The atomic structures of Al89Y11, Al90Y6.5La3.5, and Al82.8Y6.07Ni8La3.13metallic glasses have been studied by using high energy X-ray diffraction, X-ray absorption fine structure combined with the ab initiomolecular dynamics and reverse Monte Carlo simulations. It is demonstrated that the partial replacement of Y atoms by La has limited improvement of the glass forming ability(GFA), although La atoms reduce the ordering around Y atoms and also the fractions of icosahedron-like polyhedra centered by Al atoms. In contrast, Ni atoms can significantly improve the GFA, which are inclined to locate in the shell of polyhedra centered by Al, Y, and La atoms, mainly forming Ni-centered icosahedron-like polyhedra to enhance the spatial connectivity between clusters and suppress the crystallization.