Segregation effects in the formation of nanostructured NixAl1-x alloys: a computer simulation study

Marc Hou; Evgeni E. Zhurkin

doi:10.1117/12.417641

1 February 2001 Segregation effects in the formation of nanostructured Ni_xAl_1-xalloys: a computer simulation study

Marc Hou, Evgeni E. Zhurkin

Proceedings Volume 4348, Fourth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2001) https://doi.org/10.1117/12.417641
Event: Fourth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 2000, St. Petersburg, Russian Federation

Abstract

Cluster assembled materials represent a novel class of nanostructured solids which properties may strongly deviate from those of single crystal or amorphous solids with the same composition. At present time, most studies report about mono- elemental nanostructured materials. However, alloys and, in particular, bimetallic systems are well known for their technological interest and are of high innovative potentialities in their nanostructured form. The aim of the present work is to model on the atomic scale the structural and segregation properties in the Ni_xAl_1-x bimetallic nanostructured materials that are synthesized from isolated clusters. Therefore, we use classical Molecular Dynamics (MD) and Metropolis Monte-Carlo (MC) techniques. The combination of MC and MD codes allows modelling both the syntheses of these materials and the segregation phenomenon.

Citation Download Citation

Marc Hou and Evgeni E. Zhurkin "Segregation effects in the formation of nanostructured Ni_xAl_1-xalloys: a computer simulation study", Proc. SPIE 4348, Fourth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (1 February 2001); https://doi.org/10.1117/12.417641

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