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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
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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

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Articles
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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 

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