A molecular dynamics simulation study of defect production in vanadium
- Lawrence Livermore National Lab., CA (United States)
We performed molecular dynamics simulations to investigate the process of defect production in pure vanadium. The interaction of atoms was described by the EAM interatomic potential modified at short range to merge smoothly with the universal potential for description of the high energy recoils in cascades. The melting point of this EAM model of vanadium was found to be consistent with the experimental melting temperature. The threshold energies of displacement events in the model system are also consistent with experimental minimum threshold in vanadium, and its average was found to be 44 eV. We evaluated the efficiencies of defect production in the displacement events initiated by recoils with kinetic energy up to 5 keV, and found that the probability of cluster formation is smaller than that of simulated events in fcc metals reported in the literature.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- Ministry of Education, Science and Culture (Japan)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 192432
- Report Number(s):
- UCRL-JC-122972; CONF-951155-43; ON: DE96005372; TRN: 96:001619
- Resource Relation:
- Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 27 Nov - 1 Dec 1995; Other Information: PBD: 23 Jan 1995
- Country of Publication:
- United States
- Language:
- English
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