MOLECULAR DYNAMICS SIMULATIONS OF DAMAGE CASCADES CREATION IN OXIDE-PARTICLE-EMBEDDED Fe Conference Paper uri icon

abstract

  • Copyright 2017 ASME. Oxide-dispersion-strengthened(ODS)alloys have been identified as one promising candidate alloy type for high temperature reactor applications. Understanding irradiation stability of ODS alloys relies on atomic scale modeling such as molecular dynamics simulations. In this study, yttrium and oxygen charges in Y 2 O 3 oxide particles, which are embedded in pure Fe matrix, are optimized to achieve stabilities observed in experiments. Deviation from the optimized charges causes self-explosion and instability of oxide particles. Molecular dynamics simulations further show that under such optimized charge conditions, damage cascade creation and defect developments can be appropriately modeled.

published proceedings

  • PROCEEDINGS OF THE 25TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING, 2017, VOL 5

author list (cited authors)

  • Mustafa, A. M., Li, Z., & Shao, L.

complete list of authors

  • Mustafa, AM||Li, Zhongyu||Shao, Lin

publication date

  • January 2017