Paper Title:

A Modeling Study of Cyclical Phase Transformations

Periodical Materials Science Forum (Volumes 475 - 479)
Main Theme PRICM-5
Edited by Z.Y. Zhong, H. Saka, T.H. Kim, E.A. Holm, Y.F. Han and X.S. Xie
Pages 3081-3086
DOI 10.4028/www.scientific.net/MSF.475-479.3081
Citation Jong K. Lee, 2005, Materials Science Forum, 475-479, 3081
Online since January, 2005
Authors Jong K. Lee
Keywords Free Energy Change, Mechanical Alloying (MA), Phase Transformation
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Abstract

Recent work has shown evidence of cyclical phase transformations taking place during mechanical alloying. Cyclical phase transformations resemble dynamic equilibrium in the sense that both equilibrium and non-equilibrium phases are simultaneously present during milling, but phase fractions vary during cyclical transformations. A brief thermodynamic and kinetic account is first discussed to establish the criteria for cyclical transformations. A two-dimensional molecular dynamic work is then presented to demonstrate cyclical phase transitions between an equilibrium and a non-equilibrium phase during mechanical alloying. A model binary crystal made of 57 Lennard-Jones atoms is studied to illustrate cyclical transitions between an equilibrium rhombus and a non-equilibrium square phase.