Modeling Precipitate Microstructure Evolution in Alloys with First-Principles Energetic Information |
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| Journal | Materials Science Forum (Volumes 449 - 452) |
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| 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 |
| Citation | Veeramuthu Vaithianathan et al., 2004, Materials Science Forum, 449-452, 19 |
| Online since | March, 2004 |
| Authors | Veeramuthu Vaithianathan, C. Wolverton, Long Qing Chen |
| Keywords | Aluminium Alloy, First Principle, Multi-Scale, 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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