Abstract
We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic effects are more profound in the higher energy cascades and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than in Ni.
Original language | English |
---|---|
Pages (from-to) | 6-10 |
Number of pages | 5 |
Journal | Scripta Materialia |
Volume | 124 |
DOIs | |
State | Published - Nov 1 2016 |
Funding
This work was supported by Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center funded by the United States Department of Energy, Office of Science, Basic Energy Sciences . We appreciate the scientific discussions and interpretation of the experimental results with Yanwen Zhang at ORNL. We thank Ke Jin, ORNL, for polishing the sample surface suitable for the ion channeling measurements. The simulation used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, US Department of Energy, under Contract No. DEAC02-05CH11231.
Funders | Funder number |
---|---|
US Department of Energy | |
United States Department of Energy | |
Office of Science | |
Basic Energy Sciences |
Keywords
- Cascades
- Electronic effects
- Molecular dynamics
- Nickel and nickel alloys
- Two-temperature model