Influence of modulated structures on ordering dynamics in CuAu

Bulbul Chakraborty, Ken Elder, Nigel Goldenfeld

Research output: Contribution to journalArticlepeer-review

Abstract

Using a microscopic model, we have studied the evolution of microstructure in a model metallic alloy. The Hamiltonian was derived from the effective medium theory of cohesion in metals (EMT): an approximation scheme for integrating out the electronic degrees of freedom and constructing an effective classical Hamiltonian. The alloy chosen for this study was CuAu which exhibits a sequence of first-order phase transitions: disordered → modulated → ordered. To describe the dynamics of ordering, a free energy functional was constructed from the EMT Hamiltonian and used in a Langevin equation. This study demonstrates the feasibility of predicting microstructure in alloys starting from a description based on the electronic structure of alloys. The simulations exhibit interesting features in late-stage growth which are attributed to the presence of the modulated phase as a metastable phase in the ordered regime.

Original languageEnglish (US)
Pages (from-to)113-127
Number of pages15
JournalPhysica A: Statistical Mechanics and its Applications
Volume224
Issue number1-2
DOIs
StatePublished - Feb 1 1996

ASJC Scopus subject areas

  • Statistics and Probability
  • Condensed Matter Physics

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