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Vacancy clustering and prismatic dislocation loop formation in aluminum

Gavirini, Vikram and Bhattacharya, Kaushik and Ortiz, Michael (2007) Vacancy clustering and prismatic dislocation loop formation in aluminum. Physical Review B, 76 (18). Art. No. 180101. ISSN 1098-0121.

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The formation of prismatic dislocation loops is an important factor leading to radiation damage of metals. However, the formation mechanism and the size of the smallest stable loop has remained unclear. In this Rapid Communication, we use electronic structure calculations with millions of atoms to address this problem in aluminum. Our results show that there is a cascade of larger and larger vacancy clusters with smaller and smaller energy. Further, the results show that a seven vacancy cluster on the (111) plane can collapse into a stable prismatic loop. This supports the long-standing hypothesis that vacancy clustering leads to a prismatic loop, and that these loops can be stable at extremely small sizes. Finally our results show that it is important to conduct calculations using realistic concentrations (computational cell size) to obtain physically meaningful results.

Item Type:Article
Related URLs:
URLURL TypeDescription
Bhattacharya, Kaushik0000-0003-2908-5469
Ortiz, Michael0000-0001-5877-4824
Additional Information:©2007 The American Physical Society. (Received 9 October 2007; published 15 November 2007). The financial support of the Army Research Office under MURI Grant No. DAAD19-01-1-0517 and the support of the Department of Energy through Caltech’s ASC Center for the Simulation of the Dynamic Response of Materials is gratefully acknowledged.
Funding AgencyGrant Number
Army Research Office (ARO)DAAD19-01-1-0517
Department of Energy (DOE)UNSPECIFIED
Subject Keywords:aluminium; dislocation loops; radiation effects; vacancies (crystal)
Issue or Number:18
Record Number:CaltechAUTHORS:GAVprb07
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9192
Deposited By: Archive Administrator
Deposited On:20 Nov 2007
Last Modified:24 Feb 2020 10:30

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