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Influence of modulated structures on ordering dynamics in CuAu

Bulbul Chakraborty, Ken Elder and Nigel Goldenfeld

Physica A: Statistical Mechanics and its Applications, 1996, vol. 224, issue 1, 113-127

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.

Date: 1996
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:224:y:1996:i:1:p:113-127

DOI: 10.1016/0378-4371(95)00319-3

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