Time evolution of a quenched binary alloy. III. Computer simulation of a two-dimensional model system

M. Rao, M. H. Kalos, J. L. Lebowitz, and J. Marro
Phys. Rev. B 13, 4328 – Published 15 May 1976
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Abstract

We present new results of computer simulations of the time evolution of a model binary alloy following quenching. Our model system is a square lattice the sites of which are occupied by one of two species of atoms, say A and B. There is a nearest-neighbor interaction favoring segregation into an A-rich and a B-rich phase at low temperatures, T<Tc. Starting with a random configuration (corresponding to an "infinite" temperature) and a 50 or 20% concentration of A atoms the system is quenched to a temperature T=0.59Tc and we observe (using Monte-Carlo simulations of a nearest-neighbor exchange dynamics) the segregation into the two phases. We study the evolution of the structure function S(k,t) and the energy and compare their observed asymptotic behavior with theoretical power-law predictions. We also study, when there is a 20% concentration of A atoms, the cluster distribution and other characteristic parameters of the A droplets such as average cluster size l¯, average cluster energy ε¯, etc. The phase segregation appears to take place in two distinct stages: (i) a "rapid" condensation of the A atoms into "liquid" drops and a "gas" phase consisting of monomers, dimers, etc., and (ii) a "slow" growth of the droplets by coagulation through diffusion of large droplets and by evaporation of monomers, etc., from one droplet and their condensation on other droplets. By marking and following the clusters, a diffusion constant Dl for the center of mass of clusters of size l is obtained and its dependence on l is studied.

  • Received 24 December 1975

DOI:https://doi.org/10.1103/PhysRevB.13.4328

©1976 American Physical Society

Authors & Affiliations

M. Rao

  • Courant Institute of Mathematical Sciences, New York University, New York, New York 10012
  • Belfer Graduate School of Science, Yeshiva University, New York, New York 10033

M. H. Kalos

  • Courant Institute of Mathematical Sciences, New York University, New York, New York 10012

J. L. Lebowitz and J. Marro*

  • Belfer Graduate School of Science, Yeshiva University, New York, New York 10033

  • *Permanent address: Departmento de Fisica Théorica Universidad de Barcelona and Instituto de Fisica Théorica del CSIC, Barcelona-14, Spain.

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Vol. 13, Iss. 10 — 15 May 1976

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