Skip to main content Accessibility help
×
Home
Hostname: page-component-6f6fcd54b-xh56l Total loading time: 0.238 Render date: 2021-05-11T16:38:42.320Z Has data issue: true Feature Flags: {}

Multi-Scale Modeling of Interstitial Dislocation Loop Growth in Irradiated Materials

Published online by Cambridge University Press:  28 May 2012

Bei Ye
Affiliation:
Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439, U.S.A.
Di Yun
Affiliation:
Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439, U.S.A.
Zeke Insepov
Affiliation:
Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439, U.S.A.
Jeffrey Rest
Affiliation:
Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL 60439, U.S.A.
Get access

Abstract

In order to reduce the inherent uncertainty in kinetic theory models and promote their transition to become predictive methodologies, a multi-scale modeling approach is proposed and demonstrated in this work. KiValues of key materials properties such as point defect (vacancy and interstitial) migration enthalpies, as well as kinetic factors, such as dimer formation and defect recombination coefficients and self-interstitial atom – interstitial loop reaction rates, were obtained by ab initio/molecular dynamics calculations. A rate theory model was used to interpret the evolution of dislocation loops in irradiated molybdenum. Calculations of the dose dependence of average loop diameter were performed and compared to experimental measurements obtained from irradiations with high-energy electrons. The comparison demonstrates reasonable agreement between model-predicted and experiment-measured data.

Type
Articles
Copyright
Copyright © Materials Research Society 2012

Access options

Get access to the full version of this content by using one of the access options below.

References

1. Comprehensive Nuclear Materials, Konings, Rudy, Ed., Elsevier Science ISBN: 978-0-08-056027-4, March 2012 Google Scholar
2. Kaganas, G. and Rest, J., “A Physical Description of Fission Product Behavior in Fuels for Advanced Power Reactors”, Argonne National Laboratory Report ANL-07/24 (2007), DOI 10.2172/919331, http://www.osti.gov/bridge/product.biblio.jsp?osti_id=919331.Google Scholar
3. Stan, M., J. Nucl. Eng. Tech. 41, 39 (2009).CrossRefGoogle Scholar
4. Kresse, G., Furthmuller, J., Phys. Rev. B 54, 11 169 (1996).CrossRefGoogle Scholar
5. Derlet, P. M., Nguyen-Manh, D., Dudarev, S. L., Phys. Rev. B 76(5), 054107 (2007).CrossRefGoogle Scholar
6. Starikov, S. V., Insepov, Z., Rest, J., Kuksin, A.Y., Norman, G.E., Stegailov, V.V., Yanilkin, A.V., Phys. Rev. B 84, 104109 (2011).CrossRefGoogle Scholar
7. Yanilkin, A., Insepov, Z., Norman, G., Rest, J., Stegailov, V., Atomistic simulation of clustering and annihilation of point defects in Molybdenum, Accepted for publication in DIMAT 2011 Proceedings.CrossRefGoogle Scholar
8. Insepov, Z., Rest, J., Yacout, A.L., Ye, B., Yun, D., Kuksin, A.Y., Norman, G.E., Stegailov, V.V., Yanilkin, A.V., presented at the 2012 MRS Spring Meeting, San Francisco, CA, 2012 (unpublished).Google Scholar
9. Murphy, S.M., J. Nucl. Mater. 168, 31 (1989).CrossRefGoogle Scholar
10. Phillipp, F., Phys. Stat. Sol. (a) 104, 329342 (1987).CrossRefGoogle Scholar

Send article to Kindle

To send this article to your Kindle, first ensure no-reply@cambridge.org is added to your Approved Personal Document E-mail List under your Personal Document Settings on the Manage Your Content and Devices page of your Amazon account. Then enter the ‘name’ part of your Kindle email address below. Find out more about sending to your Kindle. Find out more about sending to your Kindle.

Note you can select to send to either the @free.kindle.com or @kindle.com variations. ‘@free.kindle.com’ emails are free but can only be sent to your device when it is connected to wi-fi. ‘@kindle.com’ emails can be delivered even when you are not connected to wi-fi, but note that service fees apply.

Find out more about the Kindle Personal Document Service.

Multi-Scale Modeling of Interstitial Dislocation Loop Growth in Irradiated Materials
Available formats
×

Send article to Dropbox

To send this article to your Dropbox account, please select one or more formats and confirm that you agree to abide by our usage policies. If this is the first time you use this feature, you will be asked to authorise Cambridge Core to connect with your <service> account. Find out more about sending content to Dropbox.

Multi-Scale Modeling of Interstitial Dislocation Loop Growth in Irradiated Materials
Available formats
×

Send article to Google Drive

To send this article to your Google Drive account, please select one or more formats and confirm that you agree to abide by our usage policies. If this is the first time you use this feature, you will be asked to authorise Cambridge Core to connect with your <service> account. Find out more about sending content to Google Drive.

Multi-Scale Modeling of Interstitial Dislocation Loop Growth in Irradiated Materials
Available formats
×
×

Reply to: Submit a response


Your details


Conflicting interests

Do you have any conflicting interests? *