Atomistic simulations on the interfacial interaction of metallic fuel and structural materials in SFRs - Molecular dynamics model for Pu-Fe system

Takahiro Ito, Tatsumi Arima, Masashi Himi, Hiroaki Yugo

Research output: Contribution to journalArticlepeer-review

Abstract

Interaction between metallic fuel and steel structures is one of the predominant phenomena in the progress of core disruptive accidents of Sodium-cooled fast reactor. In this study, the atomic diffusion across the interface between Pu and Fe was investigated by using molecular dynamics. The simulation was performed by using Modified Embedded Atom Method (MEAM). The interactions between plutonium and iron atoms were calculated by using the newly developed potential model determined so as to reproduce the material properties of PuFe2 and Pu6Fe. The material properties of the compounds predicted with the developed potential were in good agreement with the referenced data. The dissolution or melting at the interface between solid Fe and solid or liquid Pu were simulated by contacting semi-infinite slabs (or liquid layer) of them. Dissolution was observed for all the tested temperature conditions from 800 K up to 1700 K. The melting at the interface was also observed on the interface between solid Fe and PuFe2 slabs at the temperature approximately 100 K below the melting temperature of PuFe 2 obtained based on the present model.

Original languageEnglish
Pages (from-to)265-276
Number of pages12
Journaljournal of nuclear science and technology
Volume50
Issue number3
DOIs
Publication statusPublished - Mar 1 2013

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Nuclear Energy and Engineering

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