Towards the first-principles investigation of ordering dynamics

Tetsuo Mohri, Munekazu Ohno, Ying Chen

研究成果: Conference article査読

9 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)3075-3080
ページ数6
ジャーナルMaterials Science Forum
475-479
IV
DOI
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 22004 11月 5

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

フィンガープリント

「Towards the first-principles investigation of ordering dynamics」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル