TY - JOUR
T1 - Influence of modulated structures on ordering dynamics in CuAu
AU - Chakraborty, Bulbul
AU - Elder, Ken
AU - Goldenfeld, Nigel
N1 - Funding Information:
The authors wish to thank W. Klein and Karl Ludwig for many enlightening conversations. The work of BC was supported in part by the NSF grants DMR-9208084 and DMR-952093. KRE acknowledges the support of grant NSF-DMR-8920538, administered through the University of Illinois Materials Research Laboratory. NG acknowledges partial support from the National Science Foundation through grant NSF-DMR-93-14938.
PY - 1996/2/1
Y1 - 1996/2/1
N2 - 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.
AB - 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.
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U2 - 10.1016/0378-4371(95)00319-3
DO - 10.1016/0378-4371(95)00319-3
M3 - Article
AN - SCOPUS:4243511083
SN - 0378-4371
VL - 224
SP - 113
EP - 127
JO - Physica A: Statistical Mechanics and its Applications
JF - Physica A: Statistical Mechanics and its Applications
IS - 1-2
ER -