Hostname: page-component-76fb5796d-skm99 Total loading time: 0 Render date: 2024-04-25T12:56:10.764Z Has data issue: false hasContentIssue false
  • English
  • Français

Self-interstitial Diffusion in α-Zirconium

Published online by Cambridge University Press:  21 March 2011

W.J. Zhu  and
C.H. Woo
W.J. Zhu
Affiliation:
Hanchen Huang Department of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong
C.H. Woo
Affiliation:
Hanchen Huang Department of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong
Get access

Abstract

Self-interstitial Diffusion in α-Zirconium-Zr is studied using Molecular Dynamic (MD) and molecular static (MS) simulation using Ackland's many-body inter-atomic potential. The basal crowdion configuration is found to be the ground state. The diffusion process in Zr is complex. Four types of diffusion jumps can be identified, two in-plane and two out-of plane. The in-plane migration mechanism is dominated by one-dimensional crowdion motion along the [1120] directions, interrupted by occasional out-of-plane and on-line or off-line jumps. The mean lifetime before rotation of the crowdion is reported as a function of temperature. The activation energies for the diffusion processes are obtained. The diffusional anisotropy factor Dc/Da is also obtained, and compares well with experiment results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 677: Symposium AA – Advances in Materials Theory and Modeling–Bridging Over Multiple-Length and Time Scales , 2001 , AA7.31
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]. Nettley, P.T., Bridge, H. and Simmons, J.H.S., J. Brit. Nucl. Energy Soc. 2, 276 (1963).Google Scholar
[2]. Kelly, B.T., Second Conference On Industry Carbon and Graphite, Society of Chemical Industry, London (1966).Google Scholar
[3]. Nettley, P.T., Brocklehurst, J.E., Martin, W.H., Simmons, J.H.S., Advanced and High- Temperature Gas Cooled Reactors (Vienna:IAEA) (1969) p.603.Google Scholar
[4]. Kelly, B.T., Gray, B.S., Martin, W.H., Howard, V.C. and Jenkins, M.J., Society of Chemical Industry, London (1966), p.499.Google Scholar
[5]. Proceedings of the International Conference on Peaceful Uses of Atomic Energy, Geneva, 1955, Volume 7, United Nations (1956).Google Scholar
[6]. Buckley, S.N., Properties of Reactor Materials and Effects of Irradiation Damage, p.413, Butterworth, London (1962).Google Scholar
[7]. Fundamental Mechanisms of Radiation Induced Creep and Growth, eds. Carpenter, G.J.C., Coleman, C.E., MacEwen, S.R., J. Nucl. Mater. 90 (1980).Google Scholar
[8]. ASTM STP 633 (1977).Google Scholar
[9]. Fundamental Mechanisms of Radiation Induced Creep and Growth, eds. Woo, C.H. and McElroy, R.J., J. Nucl. Mater. 159 (1988).Google Scholar
[10]. Woo, C.H. and Goesele, U., J. Nucl. Mater. 119, 219 (1983).Google Scholar
[11]. Woo, C.H., J. Nucl. Mater. 159, 237 (1988).Google Scholar
[12]. Woo, C.H., ASTM STP 955, 70 (1987).Google Scholar
[13]. Holt, R.A., Woo, C.H. and Chow, C.K., J. Nucl. Mater. 205, 293 (1993).Google Scholar
[14]. Woo, C. H., Holt, R.A. and Griffith, M., “Anisotropic Diffusion of Point Defects: Effects on Irradiation Deformation”, Materials Modeling: from Theory to Technology. Institute of Physics Publishing, Bristol and Philadelphia, 1992, p.55.Google Scholar
[15]. Woo, C.H. Radiation Effects and Defects in Solids, 144, 145 (1998).Google Scholar
[16]. Fuse, M., J. Nucl. Mater. 136, 250 (1985).Google Scholar
[17]. Monti, A.M., Mater. Sci. Forum 15–18, 863 (1987).Google Scholar
[18]. Monti, A.M., Sarce, A., Grande, N. S., Phil. Mag. A 63, 925 (1991).Google Scholar
[19]. Ackland, G.J., Wooding, S.J. and Bacon, D.J., Phil. Mag. A 71, 553 (1995).Google Scholar
[20]. Oh, D.J. and Johnson, R.A., J. Mater. Res. 3 (1989) 471 Google Scholar
[21]. Igarashi, M., Khantha, M., and Vitek, V., Phil. Mag. B, 63, 603 (1991).Google Scholar
[22]. Fernandez, J.R., Monti, A.M., and Pasianot, R.C., J. Nucl. Mater. 229, 1 (1995).Google Scholar
[23]. Wooding, S.J. and Bacon, D.J., Phil. Mag, 76, 1033 (1997).Google Scholar
[24]. Wooding, S.J., Howe, L.M., Gao, F., Calder, A.F. and Bacon, D.J., J. Nucl. Mater. 254, 191 (1998).Google Scholar
[25]. Pasianot, R.C., Monti, A.M., J.Nucl. Mater. 276, 230 (2000).Google Scholar
[26]. Bacon, D.J., J. Nucl. Mater. 159, 176 (1988).Google Scholar
[27]. Hood, G.M., Zhou, H., Gupta, D., Shultz, R.J., J.Nucl. Mater. 233, 122 (1995).Google Scholar
[28]. Sankey, O.F., Niklewsky, D.J., Drabold, D.A., Dow, J.D., Phys. Rev. B 41, 12750 (1990).Google Scholar
[29]. Parrinello, M. and Rahman, A. J. Appl. Phys. 52, 7182 (1981).Google Scholar
[30]. Pasianot, R.C., Monti, A.M., J. Nucl. Mater. 264, 198 (1999).Google Scholar
[31]. Wen, M., Woo, C.H. and Huang, H.C., J. Comp. Aided Mater. Design., 7, 97 (2000)Google Scholar
[32]. Guinan, A.M., Stuart, R.N. and Borg, R.J., Phys. Rev. B 15, 699 (1977).Google Scholar