Modeling Precipitate Microstructure Evolution in Alloys with First-Principles Energetic Information |
| Journal |
Materials Science Forum (Volumes 449 - 452) |
| Volume |
Designing, Processing and Properties of Advanced Engineering Materials |
| Edited by |
S.-G. Kang and T. Kobayashi |
| Pages |
19-24 |
| DOI |
10.4028/www.scientific.net/MSF.449-452.19 |
| Online since |
March, 2004 |
| Authors |
Veeramuthu Vaithianathan,
C. Wolverton,
L.Q. Chen
|
| Keywords |
Aluminum Alloy, First Principles, Multiscale, Phase-Field Method, Precipitate Morphology |
| Abstract |
This short article reports our recent effort to integrate the mesoscale phase-field
method with first-principles total energy calculations, linear response theory, as well as mixedspace cluster expansion. A particular example of applying such a multiscale approach to the case of precipitation of semicoherent θ' particles in an Al-matrix is presented. |
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