Phase Field Method (PFM) is hybridized with Cluster Variation Method (CVM) to investigate the ordering dynamics of L10-disorder transition at atomistic and microstructural scales simultaneously. For this, coarse graining operation is attempted on the inhomogeneous free energy functional of CVM. The resultant gradient energy coefficient is found out to be dependent on temperature and order parameters, which is in marked contrast to a conventional PFM formalism. Electronic structure total energy calculations for Fe-Pd system are incorporated to the hybridized scheme and the first principles calculation of microstructural evolution process is attempted.
|ジャーナル||Materials Science Forum|
|出版ステータス||Published - 2005|
|イベント||PRICM 5: The Fifth Pacific Rim International Conference on Advanced Materials and Processing - Beijing, China|
継続期間: 2004 11月 2 → 2004 11月 5
ASJC Scopus subject areas