日本金属学会誌

J. Japan Inst. Metals, Vol. 60, No. 6 (1996),
pp. 553-559

A Numerical Calculation of Phase Decomposition ProcessBased on Discrete Type Diffusion Equation

Toshiyuki Koyama, Toru Miyazaki and Minoru Doi

Department of Materials Science and Engineering, Nagoya Institute of Technology, Nagoya

Abstract:

The numerical analysis of the diffusion controlled phase transformation based on the non-liner diffusion equation is one of the main subjects in the field of computer materials science. In the present study, we propose a new analyzing method of the nonlinear diffusion equation (``discrete type diffusion equation''), where the composition dependencies of atomic interaction energy, elasticity and mobility of atoms are taken into account so as to be able to calculate the phase decomposition in the real alloy system. Furthermore, the information on the solute atom occupation probability in the atom site is also included in the proposed calculation theory. The proposed new method has a capability of predicting not only the phase decomposition in the disordered phases but also the other phase transformations such as the stress-induced precipitates coarsening, order/disorder phase transitions, phase decompositions in ordering alloys and the formation process of tweed structures.


(Received December 13, 1995)

Keywords:

computer simulation, phase decomposition, theory, kinetics, diffusion equation, spinodal decomposition, non-liner, elastic strain energy


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