Published 2007
| Version v1
Book
Stability and mobility of self-interstitial atoms and their clusters in Fe-Cr alloys: An atomic-level study
Creators
- 1. SCK-CEN, Boeretang 200, B-2400 Mol (Belgium)
- 2. Physics Dept., Atomistic Simulation Centre, Queen's Univ. Belfast, Univ. Road, BT7 1NN, Belfast (United Kingdom)
- 3. EDF-R and D, Les Renardieres, 77818 Moret-sur-Loing (France)
Description
We used DFT calculations and a recently developed empirical potential for FeCr to study in detail the stability and mobility of single-SIA and SIA clusters in FeCr alloys of different concentrations, up to 15%Cr. We show that the presence of Cr creates local trapping configurations that can significantly reduce the mobility of single SIA and SIA clusters, thereby explaining a number of experimental observations. The obtained results provide quantitative estimates of this effect for different FeCr compositions. (authors)
Additional details
Publishing Information
- Publisher
- American Nuclear Society - ANS
- Imprint Place
- La Grange Park (United States)
- ISBN
- 0-89448-059-6
- Imprint Pagination
- 6 p.
Conference
- Title
- Joint International Topical Meeting on Mathematics and Computations and Supercomputing in Nuclear Applications
- Acronym
- M and C + SNA 2007
- Dates
- 15-19 Apr 2007
- Place
- Monterey, CA (United States)
INIS
- Country of Publication
- United States
- Country of Input or Organization
- France
- INIS RN
- 42109231
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ATOMIC CLUSTERS; ATOMS; BINARY ALLOY SYSTEMS; CARRIER MOBILITY; CHROMIUM ALLOYS; DENSITY FUNCTIONAL METHOD; INTERSTITIALS; IRON ALLOYS; STABILITY
- Descriptors DEC
- ALLOY SYSTEMS; ALLOYS; CALCULATION METHODS; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; MOBILITY; POINT DEFECTS; TRANSITION ELEMENT ALLOYS; VARIATIONAL METHODS
Optional Information
- Notes
- 12 refs.