Molecular dynamics and Metropolis Monte Carlo studies with embedded-atom-method potentials in Fe-Cr alloys

Research output: Report/bookBLG - Open report

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Abstract

This report includes and reviews all work performed within WP4 in Getmat, using atomic-level computer simulations with embedded-atom-method (EAM) type interatomic potentials (namely using molecular dynamics and Metropolis Monte Carlo techniques) to address the following fundamental questions concerning Fe-Cr alloys: 1. Is the primary damage produced in displacement cascades influenced by the Cr content? If so, how? 2. Does Cr change the stability of radiation-produced defects? 3. Is the diffusivity of cascade-produced defects changed by Cr content? 4. How do Cr atoms redistribute under irradiation inside the material under the action of thermodynamic driving forces and radiation-defect fluxes? 5. Does Cr influence the glide of dislocations? If so, how? 6. Does Cr influence the interaction between dislocations and radiation-produced defects? The answers that can be given so far to these questions are contained in the report.

Details

Original languageEnglish
PublisherBelgian Nuclear Research Center
Number of pages58
Volume1
Edition0
Publication statusPublished - Oct 2011

Publication series

NameSCK•CEN Reports
PublisherStudiecentrum voor Kernenergie
No.BLG-1081

Keywords

  • Atomistic simulation, Fe-Cr alloys

ID: 241580