TY - JOUR
T1 - Multiscale Modeling of Precipitate Microstructure Evolution
AU - Vaithyanathan, V.
AU - Wolverton, C.
AU - Chen, L. Q.
PY - 2002
Y1 - 2002
N2 - We demonstrate how three “state-of-the-art” techniques may be combined to build a bridge between atomistics and microstructure: (1) first-principles calculations, (2) a mixed-space cluster expansion approach, and (3) the diffuse-interface phase-field model. The first two methods are used to construct the driving forces for a phase-field microstructural model of [Formula presented]- [Formula presented] precipitates in Al: bulk, interfacial, and elastic energies. This multiscale approach allows one to isolate the physical effects responsible for precipitate microstructure evolution.
AB - We demonstrate how three “state-of-the-art” techniques may be combined to build a bridge between atomistics and microstructure: (1) first-principles calculations, (2) a mixed-space cluster expansion approach, and (3) the diffuse-interface phase-field model. The first two methods are used to construct the driving forces for a phase-field microstructural model of [Formula presented]- [Formula presented] precipitates in Al: bulk, interfacial, and elastic energies. This multiscale approach allows one to isolate the physical effects responsible for precipitate microstructure evolution.
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U2 - 10.1103/PhysRevLett.88.125503
DO - 10.1103/PhysRevLett.88.125503
M3 - Article
AN - SCOPUS:84887840420
SN - 0031-9007
VL - 88
SP - 4
JO - Physical Review Letters
JF - Physical Review Letters
IS - 12
ER -