Next generation safety analysis methods for SFRs (7) potential model for classical molecular dynamics on Pu-Fe system

Takahiro Ito, Tatsumi Arima, Masashi Himi

研究成果: 書籍/レポート タイプへの寄稿会議への寄与

2 被引用数 (Scopus)

抄録

Potential model for Modified Embedded Atom Method on Pu-Fe alloy system has been developed to analyze the metal reaction between Pu and Fe with classical molecular dynamics in the framework of the development of the new MPS-based code named 'COMPASS' [1] for meso-scale analysis of core disruptive accidents in Sodium-cooled fast reactor. The parameters on Pu-Fe interaction were determined so as to reproduce the properties of PuFe2 intermetallic compound, with applying the potential model for the individual components of Pu and Fe proposed in previous studies. First principle calculations were preformed to compensate for the available experimental data on the material properties of PuFe2. The developed model well reproduces the properties of PuFe2. In the simulation in which the solid Fe is in contact with liquid or solid Pu, formation of crystalline structure of Pu atoms mimicking the Fe structure is observed near the Pu-Fe interface.

本文言語英語
ホスト出版物のタイトルProceedings of the 17th International Conference on Nuclear Engineering 2009, ICONE17
ページ525-533
ページ数9
DOI
出版ステータス出版済み - 2009
イベント17th International Conference on Nuclear Engineering, ICONE17 - Brussels, ベルギー
継続期間: 7月 12 20097月 16 2009

出版物シリーズ

名前International Conference on Nuclear Engineering, Proceedings, ICONE
5

その他

その他17th International Conference on Nuclear Engineering, ICONE17
国/地域ベルギー
CityBrussels
Period7/12/097/16/09

!!!All Science Journal Classification (ASJC) codes

  • 原子力エネルギーおよび原子力工学

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