Molecular dynamics simulations of high energy cascades in iron
- Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.
A series of high-energy, up to 20 keV, displacement cascades in iron have been investigated for times up to 200 ps at 100 K using the method of molecular dynamics simulation. The simulations were carried out using the MOLDY code and a modified version of the many-body interatomic potential developed by Finnis and Sinclair. The paper focuses on those results obtained at the highest energies, 10 and 20 keV. The results indicate that the fraction of the Frenkel pairs surviving in-cascade recombination remains fairly high in iron and that the fraction of the surviving point defects that cluster is lower than in materials such as copper. In particular, vacancy clustering appears to be inhibited in iron. Some of the interstitial clusters were observed to exhibit an unexpectedly complex, three-dimensional morphology. The observations are discussed in terms of their relevance to microstructural evolution and mechanical property changes in irradiated iron-based alloys.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States); Nuclear Regulatory Commission, Washington, DC (United States)
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 52840
- Report Number(s):
- CONF-941144-129; ON: DE95010116; TRN: 95:011853
- Resource Relation:
- Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 28 Nov - 9 Dec 1994; Other Information: PBD: [1994]
- Country of Publication:
- United States
- Language:
- English
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