Hostname: page-component-586b7cd67f-rdxmf Total loading time: 0 Render date: 2024-11-24T07:27:35.190Z Has data issue: false hasContentIssue false
  • English
  • Français

Cascade Overlap in hcp Zirconium: Defect Accumulation and Microstructure Evolution with Radiation using Molecular Dynamics Simulations

Published online by Cambridge University Press:  01 February 2013

Prithwish K. Nandi  and
Jacob Eapen
Prithwish K. Nandi
Affiliation:
Department of Nuclear Engineering, North Carolina State University, Raleigh, NC 27695
Jacob Eapen
Affiliation:
Department of Nuclear Engineering, North Carolina State University, Raleigh, NC 27695
Get access

Abstract

Molecular dynamics simulations are performed to investigate the defect accumulation and microstructure evolution in hcp zirconium (Zr) – a material which is widely used as clad for nuclear fuel. Cascades are generated with a 3 keV primary knock-on atom (PKA) using an embedded atom method (EAM) potential with interactions modified for distances shorter than 0.1 Å. With sequential cascade simulations we show the emergence of stacking faults both in the basal and prism planes, and a Shockley partial dislocation on the basal plane.

Keywords

radiation effectsZrsimulation
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1514: Symposium HH – Advances in Materials for Nuclear Energy , 2013 , pp. 37 - 42
Copyright
Copyright © Materials Research Society 2013 

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

Willaime, F. and Massobrio, C., Phys. Rev. Lett. 63, 2244 (1989).10.1103/PhysRevLett.63.2244CrossRefGoogle Scholar
Morris, J. R., Ye, Y. Y., Ho, K. M., Chan, C. T. and Yoo, M. H., Phil. Mag. A 72, 751 (1995).10.1080/01418619508243798CrossRefGoogle Scholar
Serra, A. and Bacon, D. J., Phil. Mag. A 73, 333 (1996).10.1080/01418619608244386CrossRefGoogle Scholar
Wooding, S. J. and Bacon, D. J., Phil. Mag. A 76, 1033 (1997).10.1080/01418619708200013CrossRefGoogle Scholar
Wooding, S. J., Howe, L. M., Gao, F., Calder, A. F. and Bacon, D. J., J. Nucl. Mater. 254, 191 (1998).10.1016/S0022-3115(97)00365-6CrossRefGoogle Scholar
Ackland, G. J., Wooding, S. J. and Bacon, D. J., Phil. Mag. A 71, 553 (1995).10.1080/01418619508244468CrossRefGoogle Scholar
de Diego, N. and Bacon, D. J., Phil. Mag. A 80, 1393 (2000).10.1080/01418610008212126CrossRefGoogle Scholar
Gao, F., Bacon, D. J., Howe, L. M. and So, C. B., J. Nucl. Mater. 294, 288 (2001).10.1016/S0022-3115(01)00483-4CrossRefGoogle Scholar
Willaime, F., J. Nucl. Mater. 323, 205 (2003).10.1016/j.jnucmat.2003.08.005CrossRefGoogle Scholar
Kulikov, D. and Hou, M., J. Nucl. Mater. 342, 131 (2005).10.1016/j.jnucmat.2005.04.004CrossRefGoogle Scholar
de Diego, N., Osetsky, Y. N. and Bacon, D. J., J. Nucl. Mater. 374, 87 (2008).10.1016/j.jnucmat.2007.07.011CrossRefGoogle Scholar
de Diego, N., Serra, A., Bacon, D. J. and Osetsky, Y. N., Modelling Simul. Mater. Sci. Eng. 19, 035003 (2011).10.1088/0965-0393/19/3/035003CrossRefGoogle Scholar
Mendelev, M. I. and Ackland, G. J., Phil. Mag. Lett. 87, 349 (2007).10.1080/09500830701191393CrossRefGoogle Scholar
Becker, C.A., “Atomistic simulations for engineering: Potentials and challenges” in Tools, Models, Databases and Simulation Tools Developed and Needed to Realize the Vision of ICME, ASM (2011). http://www.ctcms.nist.gov/potentials Google Scholar
Plimpton, S., J. Comp Phys. 117, 1 (1995 ). http://lammps.sandia.gov 10.1006/jcph.1995.1039CrossRefGoogle Scholar
Nose, S. A., J. Chem. Phys. 81, 511 (1984).; W. G. Hoover, Phys. Rev. A 31, 1695 (1985).10.1063/1.447334CrossRefGoogle Scholar
Terentyev, D., Lagerstedt, C., Olsson, P., Nordlund, K., Wallenius, J., Becquart, C. S., and Malerba, , J. Nuc. Mater. 351, 65 (2006).10.1016/j.jnucmat.2006.02.020CrossRefGoogle Scholar
Honeycutt, D. J., Andersen, H. C., J. Phys. Chem. 91, 4950 (1987).10.1021/j100303a014CrossRefGoogle Scholar
Pearson, ., A handbook of lattice spacings and structures of metals (Pergamon, Oxford, 1967).Google Scholar
Kittel, C., Introduction of Solid State Physics, (NY: Wiley, 1986).Google Scholar
Pasianot, R. C. and Monti, A. M., J. Nucl. Mater 264, 198 (1999).10.1016/S0022-3115(98)00477-2CrossRefGoogle Scholar
Igarashi, M., Khantha, M. and Vitek, V., Phil. Mag. B 63, 603 (1991).10.1080/13642819108225975CrossRefGoogle Scholar
Pronk, S. and Frankel, D., Phys. Rev. Lett. 90, 255501 (2003).10.1103/PhysRevLett.90.255501CrossRefGoogle Scholar
http://www.webelements.com/zirconium/ Google Scholar
Stukwoski, A. and Albe, K., Modelling Simul. Mater. Sci. Eng. 18, 085001 (2010).10.1088/0965-0393/18/8/085001CrossRefGoogle Scholar