Paper Title:
From Phase Equilibria to Transformation Dynamics
  Abstract

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, M. Ohno, Y. Chen, "From Phase Equilibria to Transformation Dynamics", Defect and Diffusion Forum, Vol. 263, pp. 21-30, 2007
Online since
March 2007
Export
Price
$32.00
Share

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

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

Authors: Tetsuo Mohri, Munekazu Ohno, Ying Chen
Abstract:Phase Field Method (PFM) is hybridized with Cluster Variation Method (CVM) to investigate the ordering dynamics of L10-disorder transition at...
3075
Authors: Seiji Miura, J.H. Kim, Kenji Ohkubo, Yoshisato Kimura, N. Sekido, Yoshinao Mishima, Tetsuo Mohri
1507
Authors: Tetsuo Mohri, Nao Fujihashi, Ying Chen
Abstract:Phase Field Method is combined with the Cluster Variation Method within the square approximation, and the multiscale ordering behavior from...
1935
Authors: Munekazu Ohno, Ying Chen, Tetsuo Mohri
Abstract:Multi-scale simulation of ordering process from electronic, atomistic scales to microstructural scale was carried out by hybridizing Phase...
401
Authors: Tetsuo Mohri
Abstract:Cluster Variation Method (CVM) has been widely recognized as one of the most reliable theoretical tools to study phase equilibria in metallic...
1496