Molecular dynamics study on the interaction of a dislocation and radiation induced defect clusters in Fcc crystals
Creators
- 1. Japan Atomic Energy Research Institute Center for Promotion of Computational Science and Engineering (Japan)
- 2. Japan Research Institute, Energy and Environment Technology Group, Science Division, Limited (Japan)
- 3. Japan Atomic Energy Research Institute, Department of Materials Science (Japan)
Description
Irradiation of high-energy neutrons and charged particles into solids is known to cause a significant change in mechanical properties, in particular, hardening of metals. Hardening of solids arises as a result of interactions of dislocations with irradiation induced defect clusters. Molecular dynamics method combined with the visualization method has been used to elucidate these complex pinning structures in details. In particular, we have successfully observed the transient process for the formation of a super-jog from an edge dislocation and interstitial and vacancy clusters under irradiation cascade conditions. Parallel molecular dynamics programs, called as Parallel Molecular Dynamics Stencil (PMDS), have been developed in order to perform these large scale simulations for materials simulations. The contents of the program and its parallel performance are also reported. (authors)
Availability note (English)
Available from INIS in electronic formFiles
35106306.pdf
Files
(570.6 kB)
Name | Size | Download all |
---|---|---|
md5:fc55be32502987922f0047e36433f60f
|
570.6 kB | Preview Download |
Additional details
Publishing Information
- Imprint Pagination
- 9 p.
- Report number
- INIS-FR--2668
Conference
- Title
- International conference on supercomputing in nuclear applications SNA'2003
- Dates
- 22-24 Sep 2003
- Place
- Paris (France)
INIS
- Country of Publication
- France
- Country of Input or Organization
- France
- INIS RN
- 35106306
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Quality check status
- Yes
- Descriptors DEI
- ATOMIC DISPLACEMENTS; COMPUTERIZED SIMULATION; EDGE DISLOCATIONS; FCC LATTICES; MOLECULAR DYNAMICS METHOD; PARALLEL PROCESSING; RADIATION HARDENING;
- Descriptors DEC
- CALCULATION METHODS; CRYSTAL DEFECTS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; DISLOCATIONS; HARDENING; LINE DEFECTS; PHYSICAL RADIATION EFFECTS; PROGRAMMING; RADIATION EFFECTS; SIMULATION;
Optional Information
- Notes
- 5 refs.