Hostname: page-component-6d856f89d9-8l2sj Total loading time: 0 Render date: 2024-07-16T07:25:50.803Z Has data issue: false hasContentIssue false
  • English
  • Français

A Molecular Dynamics Simulation Study of Defect Production in Vanadium

Published online by Cambridge University Press:  21 February 2011

K. Morishita  and
T. Diaz De La Rubia
K. Morishita
Affiliation:
Lawrence Livermore National Laboratory, P.O. Box 808, L-268, Livermore, CA 94550 University of Tokyo, Department of Quantum Engineering and Systems Science, 7–3-1 Hongo, Bunkyo-ku, Tokyo 113, Japan
T. Diaz De La Rubia
Affiliation:
Lawrence Livermore National Laboratory, P.O. Box 808, L-268, Livermore, CA 94550
Get access

Abstract

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 fee metals reported in the literature.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 396: Symposium A – Ion-Solid Interactions for Materials Modification and Processing , 1995 , 39
Copyright
Copyright © Materials Research Society 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1 Scidman, D.N., Averback, R.S. and Benedek, R., Phys. Status Solidi (b)144, 85 (1987).Google Scholar
2 Woo, C.H. and Singh, B.N., Phys. Status Solidi (b) 159, 609 (1990); J. Nucl. Mater. 179–181, 1207 (1991).Google Scholar
3 Diaz de la Rubia, T., Averback, R.S., Benedek, R. and Robertson, I.M., Rad. Eff. Def. Sol. 113, 39 (1990).Google Scholar
4 Diaz de la Rubia, T. and Guinan, M.W., Mater. Sci. Forum 97–99, 23 (1992).Google Scholar
5 Foreman, A.J.E., Phythian, W.J. and English, C.A., Philos. Mag. A 66, 671 (1992).Google Scholar
6 Phythian, W.J., Stoller, R.E., Foreman, A.J.E., Calder, A.F. and Bacon, D.J., J. Nucl. Mater. 223, 245 (1995).Google Scholar
7 Bacon, D.J., Calder, A.F., Gao, F., Kapinos, V.G. and Wooding, S.J., Nucl. Instr. and Meth. B 102, 37 (1995).Google Scholar
8 Calder, A.F. and Bacon, D.J., J. Nucl. Mater. 207, 25 (1993).Google Scholar
9 Diaz de la Rubia, T. and Guinan, M.W., J. Nucl. Mater. 174, 151 (1990).Google Scholar
10 Adams, J.B. and Foiles, S.M., Phys. Rev. B 41, 3316 (1990).Google Scholar
11 Johnson, R.A. and Oh, D.J., J. Mater. Res. 4, 1195 (1989).Google Scholar
12 Finnis, M.W. and Sinclair, J.E., Philos. Mag. A 50, 45 (1984); 53, 161 (E) (1986).Google Scholar
13 Rebonato, R., Welch, D.O., Hatcher, R.D. and Bilello, J.C., Philos. Mag. A 55, 655 (1987).Google Scholar
14 Ouyang, Y. and Zhang, B., Phys. Lett. A 192, 79 (1994).Google Scholar
15 Wang, Y.R. and Boercker, D.B., J. Appl. Phys. 78, 1 (1995).Google Scholar
16 Landorf-Bornstein New Series 25, 115 (1991).Google Scholar
17 Turchi, P.E.A. (private communication).Google Scholar
18 Wilson, W.D., Haggmark, L.G. and Biersack, J.P., Phys. Rev. B 15, 2458 (1977).Google Scholar
19 Proennecke, S., Caro, A., Victoria, M., Diaz de la Rubia, T. and Guinan, M.W., J. Mater. Res. 6, 483 (1991).Google Scholar
20 Jung, P., in Atomic Collisions in Solids, vol. 1, edited, by Datz, S., Appleton, R. and Moak, CD. (Plenum, New York, 1975), p.87.Google Scholar
21 Foreman, A.J.E., English, C.A. and Phythian, W.J., Philos. Mag. A 66, 655 (1992).Google Scholar
22 Gao, F. and Bacon, D.J., Philos. Mag. A 71, 43 (1995).Google Scholar
23 Jung, P., Radiation Effects 35, 155 (1978); J. Nucl. Mater. 117, 70 (1983).Google Scholar
24 ASTM E521, Standard Practice for Neutron Radiation Damage Simulation by Charged-Particle Irradiation, Annual Book of ASTM Standards, vol. 12.02 (American Society of Testing and Materials, Philadelphia, 1994).Google Scholar
25 See, e.g., A Scientific Chronological Table (MARUZEN, Tokyo, 1994) (in Japanese).Google Scholar
26 Norgett, M.J., Robinson, M.T. and Torrens, I.M., Nucl. Eng. Des. 33, 50 (1975).Google Scholar
27 English, C.A. and Jenkins, M.L., Mater. Sci. Forum 15–18, 1008 (1987).Google Scholar