Hostname: page-component-78c5997874-t5tsf Total loading time: 0 Render date: 2024-11-19T06:26:38.099Z Has data issue: false hasContentIssue false
  • English
  • Français

Kinetic Monte Carlo simulations of cascades in Fe alloys

Published online by Cambridge University Press:  21 March 2011

C. Domain ,
C.S. Becquart  and
J.C. van Duysen
C. Domain
Affiliation:
EDF-R&D, Département EMA, F-77250 Moret sur Loing, France
C.S. Becquart
Affiliation:
Laboratoire de Métallurgie Physique et Génie des Matériaux, UMR 8517, Université de Lille I, F-59655 Villeneuve d'Ascq Cédex, France
J.C. van Duysen
Affiliation:
EDF-R&D, Département EMA, F-77250 Moret sur Loing, France
Get access

Abstract

The Pressurized Water Reactor vessel steels are embrittled by neutron irradiation. Among the solute atoms, copper play an important role in the embrittlement and different Cu-rich defects have been experimentally observed to form. We have investigated by Kinetic Monte Carlo (KMC) on rigid lattices the evolution of the primary damage. Since the point defects created by the displacement cascades have very different kinetics, their evolution is tracked in two steps. In a first step, we have studied their recombination in the cascade region and the formation of interstitial clusters using “object diffusion”. The parameters of this model are based on MD simulations, or on first principles calculations. In a second part, we have investigated the subsequent evolution of the primary damage with a model based on a vacancy jump mechanism. These simulations which rely on an adapted EAM potential show the formation of copper rich defects. Some of the potential's predictions that played a key role in the model were checked by ab initio calculations. The defects obtained from these simulations, subsequent to the primary damage created by displacement cascades, exhibit similarities with the ones observed by atom probe. The influence of temperature and Cu content on the final damage was investigated.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 650: Symposium R – Microstructural Processes in Irradiated Materials-2000 , 2000 , R3.25
Copyright
Copyright © Materials Research Society 2001

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

REFERENCES

1 Averback, R.S. and Rubia, T. Diaz de la, Solid State Physics, 51, 281 (1998).Google Scholar
2 Calder, A.F. and Bacon, D.J., Jour. Nucl. Mater. 207, 25 (1993).Google Scholar
3 Becquart, C.S., Domain, C., Legris, A. and Duysen, J.C. Van, Jour. Nucl. Mater 280, 73 (2000).Google Scholar
4 Becquart, C.S., Domain, C. and Duysen, J.C. Van, to appear in Jour. Nucl. Mater.Google Scholar
5 Ludwig, S. M., Farkas, D., Pedraza, D. and Schmauder, S., Modelling Simul. Mater. Sci. Eng., 6, 19 (1998).Google Scholar
6 Young, W.M. and Elcock, E.W., Proc. phys. Soc. 89, 75 (1966).Google Scholar
7 Soneda, N. and Rubia, T. Diaz de la, Phil. Mag. A, 78, 995 (1998).Google Scholar
8 Gao, F., Bacon, D.J., Barashev, A.V. and Heinisch, H.L., MRS Proc., Vol. 540, 703 (1999).Google Scholar
9 Osetsky, Yu. N., Bacon, D.J., Serra, A., Singh, B.N. and Golubov, S.I., Jour. Nucl. Mater 276, 65 (2000).Google Scholar
10 Schilling, W., Jour. Nucl. Mater. 69&70, 465 (1978).Google Scholar
11 Vienna Ab Initio Package, Kresse, G. and Hafner, J., Phys. Rev. B 47, 558 (1993); ibid. 49, 14251 (1994).Google Scholar
12 Doan, N.V., Jour. Nucl. Mater. 283–287, 763–767 (2000).Google Scholar
13 Vehanen, A., Hautojärvi, P., Johansson, J., Yli-Kauppila, J. and Moser, P., Phys. Rev. B 25, 762 (1982).Google Scholar
14 Domain, C., Becquart, C.S. and Duysen, J.C. Van, MRS Proc., Vol. 540, 643 (1999).Google Scholar
15 Brauer, G. and Popp, K., Phys. Status Solidi 102, 79 (1987).Google Scholar
16 Möslang, A., Albert, E., Recknagel, E., Weidinger, A. and Moser, P., Hyperfine Interactions 15, 409 (1983).Google Scholar
17 Phythian, W.J., Foreman, A.J.E., English, C.A., Buswell, J.T., Hetherington, M., Roberts, K. and Pizzini, S., 15th International Symposium on Effects of Radiation on Materials, ASTM STP 1125, Stoller, R.E, Kumar, A.S. and Gelles, D.S., Eds., ASTM, Philadelphia, 131 (1992).Google Scholar
18 Odette, G.R., Wirth, B.D., J. Nucl. Mater. 251, 157 (1997).Google Scholar
19 Pareige, P., Welzel, S. and Auger, P., Jour. de Phys. IV, C 5, 229 (1996).Google Scholar