TY - JOUR
T1 - Microscopic master equation approach to diffusional transformations in inhomogeneous systems-single-site approximation and direct exchange mechanism
AU - Chen, Long Qing
AU - Simmons, J. A.
N1 - Funding Information:
Acknowledgements--Thwiso rk is supported by the ARPA/NIST Programo n Mathematical Modelionfg Microstructure Evolutiionn A dvanced Alloyasn d by NSF under the grant number DMR-93W11e8 9ar8e. very grateful tFoa nnieMui who did mosto f the computer programmwinogrk .W e also thankD rs John Cahna t NIST and R. Kikuchia t UCLA for enlightening discussions.
PY - 1994/9
Y1 - 1994/9
N2 - A computer simulation technique based on microscopic master equations is developed for modeling the dynamics of morphological evolution during diffusional phase transformations in binary solid solutions including barrierless nucleation of ordered domains, subsequent domain growth and coalescence, coarsening of antiphase domains, compositional phase separation, Ostwald ripening, and kinetics of simultaneous ordering and phase separation. Assuming a direct exchange mechanism for atomic diffusion and using the single-site approximation, the kinetic equations produce equilibrium states closer to the Bethe approximation than the Bragg-Williams approximation. Computer simulation examples of microstructural evolution during ordering, spinodal decomposition, and simultaneous ordering and phase separation in a binary solid solution are presented using a second-neighbor interaction model.
AB - A computer simulation technique based on microscopic master equations is developed for modeling the dynamics of morphological evolution during diffusional phase transformations in binary solid solutions including barrierless nucleation of ordered domains, subsequent domain growth and coalescence, coarsening of antiphase domains, compositional phase separation, Ostwald ripening, and kinetics of simultaneous ordering and phase separation. Assuming a direct exchange mechanism for atomic diffusion and using the single-site approximation, the kinetic equations produce equilibrium states closer to the Bethe approximation than the Bragg-Williams approximation. Computer simulation examples of microstructural evolution during ordering, spinodal decomposition, and simultaneous ordering and phase separation in a binary solid solution are presented using a second-neighbor interaction model.
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U2 - 10.1016/0956-7151(94)90392-1
DO - 10.1016/0956-7151(94)90392-1
M3 - Article
AN - SCOPUS:0028500324
SN - 0956-7151
VL - 42
SP - 2943
EP - 2954
JO - Acta Metallurgica Et Materialia
JF - Acta Metallurgica Et Materialia
IS - 9
ER -