Examination of the Effect of Vacancy Detachment Rates on Kinetic Monte Carlo Simulations of bcc Metals
| Autor: | Alexander P. Moore, Richard T. Hoffman, Chaitanya Deo |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Void (astronomy)
Materials science Mechanical Engineering Binding energy Astrophysics::Cosmology and Extragalactic Astrophysics 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Molecular physics Condensed Matter::Materials Science Molecular dynamics Mechanics of Materials Vacancy defect Lattice (order) 0103 physical sciences General Materials Science Irradiation Kinetic Monte Carlo 010306 general physics 0210 nano-technology Constant (mathematics) |
| Zdroj: | MRS Advances. 1:2489-2494 |
| ISSN: | 2059-8521 |
| DOI: | 10.1557/adv.2016.513 |
| Popis: | A Kinetic Monte Carlo simulation, using a modified version of the SPPARKS code, of simple defects and complex vacancy clusters was run on a bcc lattice. In this simulation the complexity of void formation was varied by introducing a detachment rate for individual vacancies leaving the void and either treating this value as constant for all size voids or having this value be dependent on the size of the void. Molecular Dynamics simulations were used to determine the binding energies of vacancies for voids of varying size. The simulation was then run over long time periods to determine the number of defects in the simulation under irradiation conditions. It was found that the additional complexity of size dependent void detachment rates had little effect on the defect concentrations and thus a constant barrier should be sufficient for simulations of voids in bcc metals. |
| Databáze: | OpenAIRE |
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