Linear collision sequences in bcc iron and the effect of thermal vibrations
Creators
Description
Linear collision sequences (LCS) in iron are studied by means of classical molecular dynamics (MD) with the code DYMOKA and its binary collision approximation (BCA) with MARLOWE. Two embedded atom potentials that essentially differ by their repulsive branches at short range are used in MD. The Moliere potential is used in the BCA, which screening distance is adjusted in such a way to match the repulsive embedded atom model potential branches. MD is used to estimate a direction dependent binding energy in replacement sequences calculated in the BCA. The BCA is then used to accumulate cascade statistics and to build LCS distributions at temperatures ranging from 0 to 1400 K. The results show that neither the LCS length distributions, nor their frequency of occurrence are significantly temperature dependent despite the wide range of temperature examined
Additional details
Identifiers
- PII
- S0168583X02008029;
Publishing Information
- Journal Title
- Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms
- Journal Volume
- 193
- Journal Issue
- 1-4
- Journal Page Range
- p. 341-345
- ISSN
- 0168-583X
- CODEN
- NIMBEU
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 34000795
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ATOM COLLISIONS; BCC LATTICES; BINDING ENERGY; COMPUTERIZED SIMULATION; D CODES; IRON; MOLECULAR DYNAMICS METHOD; MOLIERE THEORY; TEMPERATURE DEPENDENCE
- Descriptors DEC
- CALCULATION METHODS; COLLISIONS; COMPUTER CODES; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; ELEMENTS; ENERGY; METALS; SIMULATION; TRANSITION ELEMENTS
Optional Information
- Copyright
- Copyright (c) 2002 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.