The behavior of interstitials in irradiated graphite
Conference
·
OSTI ID:5926478
A computer model is developed to simulate the behavior of self-interstitials with particular attention to clustering. Owing to the layer structure of graphite, atomistic simulations can be performed using a large parallelepipedic supercell containing a few layers. In particular, interstitial clustering is studied here using a supercell that contains two basal planes only. Frenkel pairs are randomly produced. Interstitials are placed at sites between the crystal planes while vacancies are distributed in the two crystal planes. The size of the computational cell is 20000 atoms and periodic boundary conditions are used in two dimensions. Vacancies are assumed immobile whereas interstitials are given a certain mobility. Two point defect sinks are considered, direct recombination of Frenkel pairs and interstitial clusters. The clusters are assumed to be mobile up to a certain size where they are presumed to become loop nuclei. Clusters can shrink by emission of singly bonded interstitials or by recombination of a peripheral interstitial with a neighboring vacancy. The conditions under which interstitial clustering occurs are reported. It is shown that when clustering occurs the cluster size population gradually shifts towards the largest size cluster. The implications of the present results for irradiation growth and irradiation-induced amorphization are discussed.
- Research Organization:
- Oak Ridge National Lab., TN (United States)
- Sponsoring Organization:
- DOE; USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 5926478
- Report Number(s):
- CONF-911202-22; ON: DE92005167
- Country of Publication:
- United States
- Language:
- English
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36 MATERIALS SCIENCE
360602 -- Other Materials-- Structure & Phase Studies
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70 PLASMA PHYSICS AND FUSION TECHNOLOGY
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CARBON
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CRYSTAL STRUCTURE
ELEMENTAL MINERALS
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NONMETALS
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