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Correlation between local structure of melts and glass forming ability for Fe78M9B13 (M=Nb, Si, and Zr) alloys

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5 Author(s)
Pan, S.P. ; The Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University-Southern Campus, Jinan 250061, People’s Republic of China ; Qin, J.Y. ; Gu, T.K. ; Yang, L.
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The structures of Fe78M9B13 (M=Nb, Si, and Zr) melts have been studied by ab initio molecular dynamics simulation. The essential features of the structures are the same in these melts. Prism-type local atomic arrangements dominate around B atoms and icosahedral-like clusters are frequently found around Fe atoms. However, the structures of the three melts differ in the degree of structural distortion caused by introducing M atoms to the prisms. The structural and dynamical properties of these melts change with different M elements, suggesting that they are closely correlated with their glass formation. The degree of complexity of molten structure caused by the interactions among Fe, M, and B may play an important role in their glass forming ability.

Published in:

Journal of Applied Physics  (Volume:105 ,  Issue: 1 )