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Titolo:
Self-interstitial configuration in BCC metals. An analysis based on many-body potentials for Fe and Mo
Autore:
Simonelli, G; Pasianot, R; Savino, EJ;
Indirizzi:
Comis Nacl Energia Atom, Dept Mat, RA-1429 Buenos Aires, DF, Argentina Comis Nacl Energia Atom Buenos Aires DF Argentina RA-1429 , DF, Argentina CONICET, RA-1033 Buenos Aires, DF, Argentina CONICET Buenos Aires DF Argentina RA-1033 033 Buenos Aires, DF, Argentina Univ Nacl Tucuman, Inst Fis, RA-4000 San Miguel De Tucuman, Tucuman, Argentina Univ Nacl Tucuman San Miguel De Tucuman Tucuman Argentina RA-4000 gentina
Titolo Testata:
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
fascicolo: 2, volume: 217, anno: 2000,
pagine: 747 - 758
SICI:
0370-1972(200002)217:2<747:SCIBMA>2.0.ZU;2-9
Fonte:
ISI
Lingua:
ENG
Soggetto:
EMBEDDED-ATOM METHOD; COMPUTER-SIMULATION; TRANSITION-METALS; ALPHA-IRON; POINT-DEFECT; INTERATOMIC POTENTIALS; DISPLACEMENT CASCADES; POSITRON-ANNIHILATION; SCREW DISLOCATIONS; VACANCY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
40
Recensione:
Indirizzi per estratti:
Indirizzo: Pasianot, R Comis Nacl Energia Atom, Dept Mat, Av Libertador 8250, RA-1429Buenos Aires, DF, Argentina Comis Nacl Energia Atom Av Libertador 8250 Buenos Aires DF Argentina RA-1429
Citazione:
G. Simonelli et al., "Self-interstitial configuration in BCC metals. An analysis based on many-body potentials for Fe and Mo", PHYS ST S-B, 217(2), 2000, pp. 747-758

Abstract

A computer simulation study of the static distortion and stability of self-interstitials in Fe and Mo is presented. Many-body potentials of the type Embedded Atom and Embedded Defect, both developed by us, are employed. We confirm a result found earlier, that relatively short-range potentials predict the (measured) [110] dumbbell configuration to be of minimum energy, while longer range ones favour [111] extended structures. This finding is rationalized by considering the resulting different energy distributions withinthe defect cores. Also, for most potentials studied more than one mechanically stable interstitial is found. Based on the analysis of the saddle point configurations obtained with either interatomic potential, interstitial migration via both short and long jumps are expected in Fe, whereas only short jumps would be relevant in Mo.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 02/04/20 alle ore 02:47:43