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

Autor:	Takahiro Ito, Tatsumi Arima, Hiroaki Yugo, Masashi Himi
Rok vydání:	2013
Předmět:	Nuclear and High Energy Physics Structural material Chemistry Thermodynamics Nanotechnology Atomic diffusion Metal Molecular dynamics Nuclear Energy and Engineering visual_art Atom visual_art.visual_art_medium Material properties Dissolution Eutectic system
Zdroj:	Journal of Nuclear Science and Technology. 50:265-276
ISSN:	1881-1248 0022-3131
DOI:	10.1080/00223131.2013.772443
Popis:	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...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f5f4345d971c02e30dc2ea38d198f90b https://doi.org/10.1080/00223131.2013.772443 Zobrazit plný text záznamu