Abstract
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.
Original language | English (US) |
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Pages (from-to) | 4 |
Number of pages | 1 |
Journal | Physical review letters |
Volume | 88 |
Issue number | 12 |
DOIs | |
State | Published - 2002 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)