Molecular-Dynamic Computer Simulation Study of Structural and Transport Properties of Some Amorphous Alloys

O.S. Trushin, P. Nayak, V.S. Stepanyuk, A.A. Katsnelson and A. Szasz
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O.S. Trushin: Moscow State University, Moscow 117234, USSR
P. Nayak: Moscow State University, Moscow 117234, USSR
V.S. Stepanyuk: Moscow State University, Moscow 117234, USSR
A.A. Katsnelson: Moscow State University, Moscow 117234, USSR
A. Szasz: Laboratory of Surface and Interface Physics, Eötvös University, Muzeum krt. 6–8, H-1088, Budapest, Hungary

International Journal of Modern Physics C (IJMPC), 1991, vol. 02, issue 01, 523-526

Abstract: Here we present the molecular-dynamics computer simulation for a few systems ofNi1−xPx(x=0.2,0.25),Fe1−xPx (x=0.24), andFe1−xBx (x=0.15)to explore the dynamic phase transformation from liquid to amorphous state through rapid quenching and the structure of these alloys at atomic level. The truncated Morse potential has been used to model the interaction between the atoms. The results of computer simulation for the pair correlation function for these systems reveal some interesting features of the corresponding alloy going from the melt to amorphous state through fast cooling. Finally the analysis of Voronoy polyhedron statistic leads us to propose possible models for the structure at atomic level for these alloys in the amorphous state. For theNi75P25system it is also revealed that the metastable state depends on the method of preparation of the sample.

Date: 1991
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DOI: 10.1142/S0129183191000810

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