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Title: 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:
 [1];  [1];  [1];  [1];  [2];  [3]
  1. Los Alamos National Laboratory
  2. Univ. of Nebraska–Lincoln
  3. MIT
Publication Date:
Research Org.:
Los Alamos National Lab. (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
TRN: US201214%%309
DOE Contract Number:  
AC52-06NA25396
Resource Type:
Conference
Resource Relation:
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.
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.
Liu, Xiang-Yang, Uberuaga, Blas P., Germann, Timothy C., Misra, Amit, Nastasi, Michael, and Demkowicz, Michael. Tue . "Mechanism for recombination of radiation-induced point defects at interphase boundaries". United States. 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 = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2012},
month = {6}
}

Conference:
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