Published 2003 | Version v1
Miscellaneous Open

Molecular dynamics study on the interaction of a dislocation and radiation induced defect clusters in Fcc crystals

  • 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)

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Available from INIS in electronic form

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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.