Computer simulation of displacement cascade damage in metals

Book · Fri Sep 01 00:00:00 EDT 1995

OSTI ID:99422

Gao, F; Wooding, S J; Calder, A F; Bacon, D J ^[1]

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1. The University, Liverpool (United Kingdom). Dept. of Materials Science and Engineering

MD (molecular dynamics) simulations of displacement cascades in a variety of metals of different crystal structure and an ordered alloy are discussed. Frenkel-pair production at the end of the cascade process is well below the NRT theoretical value in all cases and a new empirical relationship between Frenkel-pair number and damage energy is assessed. In contrast with this, antisite production efficiency in ordered alloys increases with increasing energy, as does the atomic mixing of the different atomic species. The degree of clustering of interstitials in cascades in material-dependent. These results are discussed in relation to the highly disordered zone formed in the thermal spike.

• OSTI ID: 99422
• Report Number(s): CONF-941144-; ISBN 1-55899-275-8; TRN: 95:019079
• Resource Relation: Conference: Fall meeting of the Materials Research Society (MRS), Boston, MA (United States), 28 Nov - 9 Dec 1994; Other Information: PBD: 1995; Related Information: Is Part Of Microstructure of irradiated materials; Robertson, I.M. [ed.] [Univ. of Illinois, Urbana, IL (United States). Dept. of Materials Science and Engineering]; Rehn, L.E. [ed.] [Argonne National Lab., IL (United States). Materials Science Div.]; Zinkle, S.J. [ed.] [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.]; Phythian, W.J. [ed.] [AEA Technology-Harwell, Oxon (United Kingdom)]; PB: 588 p.; Materials Research Society symposium proceedings, Volume 373
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ALLOYS
ATOMIC DISPLACEMENTS
METALS
FRENKEL DEFECTS
THEORETICAL DATA
COMPUTERIZED SIMULATION
INTERMETALLIC COMPOUNDS