Mechanism for recombination of radiation-induced point defects at interphase boundaries
Abstract
MD studies of collision cascades in KS-type Cu-Nb interfaces are performed, revealing that Cu interstitials are preferentially loaded into the interface while on the bcc Nb side there is very little absorption of interstitials. The interstitial loading effect at two types of heterogeneous Cu-Nb interfaces, both KS-type and SPD {l_brace}112{r_brace}-type interfaces is studied: (a) The Cu interstitials are observed to spontaneously emit from both types of interfaces to annihilate vacancies in the nearby bulk, (b) MD and NEB studies are used to characterize low barrier emission processes. Our study also indicates that interstitials do not lose their identity when absorbed even at interfaces where they become significantly delocalized.
- Authors:
-
- Los Alamos National Laboratory
- Univ. of Nebraska–Lincoln
- MIT
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1044106
- Report Number(s):
- LA-UR-12-22299
Journal ID: ISSN 1098--0121; TRN: US201214%%309
- DOE Contract Number:
- AC52-06NA25396
- Resource Type:
- Conference
- Resource Relation:
- Journal Volume: 85; Journal Issue: 1; Conference: COSIRES 2012 Computer Simulations of Radiation Effects in Solids ; 2012-06-24 - 2012-06-29 ; Santa Fe, New Mexico, United States
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; ABSORPTION; COMPUTERIZED SIMULATION; INTERSTITIALS; POINT DEFECTS; RADIATION EFFECTS; RECOMBINATION; VACANCIES
Citation Formats
Liu, Xiang-Yang, Uberuaga, Blas P, Germann, Timothy C, Misra, Amit, Nastasi, Michael, and Demkowicz, Michael. Mechanism for recombination of radiation-induced point defects at interphase boundaries. United States: N. p., 2012.
Web. doi:10.1103/PhysRevB.85.012103.
Liu, Xiang-Yang, Uberuaga, Blas P, Germann, Timothy C, Misra, Amit, Nastasi, Michael, & Demkowicz, Michael. Mechanism for recombination of radiation-induced point defects at interphase boundaries. United States. https://doi.org/10.1103/PhysRevB.85.012103
Liu, Xiang-Yang, Uberuaga, Blas P, Germann, Timothy C, Misra, Amit, Nastasi, Michael, and Demkowicz, Michael. 2012.
"Mechanism for recombination of radiation-induced point defects at interphase boundaries". United States. https://doi.org/10.1103/PhysRevB.85.012103. https://www.osti.gov/servlets/purl/1044106.
@article{osti_1044106,
title = {Mechanism for recombination of radiation-induced point defects at interphase boundaries},
author = {Liu, Xiang-Yang and Uberuaga, Blas P and Germann, Timothy C and Misra, Amit and Nastasi, Michael and Demkowicz, Michael},
abstractNote = {MD studies of collision cascades in KS-type Cu-Nb interfaces are performed, revealing that Cu interstitials are preferentially loaded into the interface while on the bcc Nb side there is very little absorption of interstitials. The interstitial loading effect at two types of heterogeneous Cu-Nb interfaces, both KS-type and SPD {l_brace}112{r_brace}-type interfaces is studied: (a) The Cu interstitials are observed to spontaneously emit from both types of interfaces to annihilate vacancies in the nearby bulk, (b) MD and NEB studies are used to characterize low barrier emission processes. Our study also indicates that interstitials do not lose their identity when absorbed even at interfaces where they become significantly delocalized.},
doi = {10.1103/PhysRevB.85.012103},
url = {https://www.osti.gov/biblio/1044106},
journal = {},
issn = {1098--0121},
number = 1,
volume = 85,
place = {United States},
year = {Tue Jun 19 00:00:00 EDT 2012},
month = {Tue Jun 19 00:00:00 EDT 2012}
}