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 language | English (US) |
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Pages (from-to) | 113-127 |
Number of pages | 15 |
Journal | Physica A: Statistical Mechanics and its Applications |
Volume | 224 |
Issue number | 1-2 |
DOIs | |
State | Published - Feb 1 1996 |
ASJC Scopus subject areas
- Statistical and Nonlinear Physics
- Statistics and Probability