Partial structure factors reveal atomic dynamics in metallic alloy melts

被引:22
作者
Nowak, B. [1 ]
Holland-Moritz, D. [1 ]
Yang, F. [1 ]
Voigtmann, Th. [1 ,2 ]
Kordel, T. [1 ]
Hansen, T. C. [3 ]
Meyer, A. [1 ]
机构
[1] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Mat Phys Weltraum, D-51170 Cologne, Germany
[2] Heinrich Heine Univ, Phys Dept, Univ Str 1, D-40225 Dusseldorf, Germany
[3] ILL Grenoble, F-38042 Grenoble, France
关键词
INITIO MOLECULAR-DYNAMICS; NI; SIMULATION; DIFFUSION; GLASSES; DENSITY; ZR;
D O I
10.1103/PhysRevMaterials.1.025603
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We investigate the dynamical decoupling of the diffusion coefficients of the different components in a metallic alloy melt, using a combination of neutron diffraction, isotopic substitution, and electrostatic levitation in Zr-Ni melts. We show that excess Ni atoms can diffuse more freely in a background of saturated chemical interaction, causing their dynamics to become much faster and thus decoupled than anticipated from the interparticle interactions. Based on the mode-coupling theory of the glass transition, the averaged structure as given by the partial static structure factors is able to explain the observed dynamical behavior.
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页数:5
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