Molecular simulation of amorphization by mechanical alloying

TitleMolecular simulation of amorphization by mechanical alloying
Publication TypeJournal Article
Year of Publication2004
AuthorsLund, AC, Schuh, CA
JournalActa Materialia
Pagination2123 - 2132
Date Published2004/05/03/

Mechanical alloying is studied through molecular statics Simulations, focusing on the process of amorphization of a binary system through extensive plastic straining. We identify a broad range of compositions that demonstrate full amorphization after sufficient plastic straining. We also develop dimensionless variables to describe the microstructural length scale, as well as the degree of atomic-level mixing. and show that data for many compositions and layer geometries can be described by a simple scaling law. This analysis reveals that amorphization occurs concurrently with the attainment of a perfectly mixed alloy, which ill turn occurs when all elemental phases have been refined to the length scale of a single atom. All of these results agree with mechanical alloying experiments described in the literature, and suggest new approaches to better compare independent experiments. (C) 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.