From Phase Equilibria to Transformation Dynamics

Abstract:

Article Preview

First principles calculations have been applied in various fields in Materials Science. The authors have been attempting to reproduce a binary phase diagram by combining FLAPW electronic structure total energy calculations with Cluster Variation Method of statistical mechanics. Such a first principles calculation for static equilibrium has been quite successful for a series of Febased alloy systems. Recently, main attention is directed towards the extension of the first principles calculation to phase transformation dynamics by incorporating Phase Field Method. A series of preliminary calculations on disorder-L10 ordering in Fe-Pd and –Pt are satisfactory and the evolution process of Anti-Phase Boundaries was reproduced. In the present report, first-principles calculations of phase equilibria and phase transformation are briefly reviewed. Particular focuses are placed on coarse graining operation which authors developed and and time scaling as a remaining problem.

Info:

Periodical:

Edited by:

J. Čermák and I. Stloukal

Pages:

21-30

DOI:

10.4028/www.scientific.net/DDF.263.21

Citation:

T. Mohri et al., "From Phase Equilibria to Transformation Dynamics", Defect and Diffusion Forum, Vol. 263, pp. 21-30, 2007

Online since:

March 2007

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.