Evolution of displacement cascades in Fe–Cr structures with different [001] tilt grain boundaries
| Autor: | Ishraq Shabib, Waseem Haider, Mohammad Abu-Shams |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
010302 applied physics
Nuclear and High Energy Physics Radiation Materials science 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Molecular physics Displacement (vector) Molecular dynamics Crystallography Tilt (optics) Martensite 0103 physical sciences Atom General Materials Science Grain boundary Irradiation 0210 nano-technology |
| Zdroj: | Radiation Effects and Defects in Solids. 172:364-378 |
| ISSN: | 1029-4953 1042-0150 |
| DOI: | 10.1080/10420150.2017.1278760 |
| Popis: | Reduced-activation ferritic/martensitic steels of Cr concentration between 2.25 and 12 wt% are candidate structural materials for next-generation nuclear reactors. In this study, molecular dynamics (MD) simulation is used to generate the displacement cascades in Fe–Cr structures with different Cr concentrations by using different primary knock-on atom (PKA) energies between 2 and 10 keV. A concentration-dependent model potential has been used to describe the interactions between Fe and Cr. Single crystals (SCs) of three different coordinate bases (e.g. [310], [510], and [530]) and bi-crystal (BC) structures with three different [001] tilt grain boundaries (GBs) (e.g. Σ5, Σ13, and Σ17) have been simulated. The Wigner–Seitz cell criterion has been used to identify the produced Frenkel pairs. The results show a marked difference between collisions observed in SCs and those in BC structures. The numbers of vacancies and interstitials are found to be significantly higher in BC structures than those fou... |
| Databáze: | OpenAIRE |
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