Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
CALCULATIONS OF SYSTEMATICS IN B2 STRUCTURE 3D TRANSITION-METAL ALUMINIDES
Autore:
SCHULTZ PA; DAVENPORT JW;
Indirizzi:
GE CO,CORP RES & DEV SCHENECTADY NY 12301 BROOKHAVEN NATL LAB,DEPT PHYS UPTON NY 11973
Titolo Testata:
Journal of alloys and compounds
fascicolo: 2, volume: 197, anno: 1993,
pagine: 229 - 242
SICI:
0925-8388(1993)197:2<229:COSIBS>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRONIC-STRUCTURE CALCULATIONS; CHARGE-TRANSFER; ORBITAL METHOD; INTERMETALLIC COMPOUNDS; HYDROGEN EMBRITTLEMENT; COHESIVE PROPERTIES; BAND-STRUCTURE; ALLOYS; FEAL; DENSITY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
74
Recensione:
Indirizzi per estratti:
Citazione:
P.A. Schultz e J.W. Davenport, "CALCULATIONS OF SYSTEMATICS IN B2 STRUCTURE 3D TRANSITION-METAL ALUMINIDES", Journal of alloys and compounds, 197(2), 1993, pp. 229-242

Abstract

An all-electron total energy local density functional approach was used to examine features in the electronic structure of B2 structure transition metal aluminides that are possible factors affecting brittleness in these intermetallics. Noting that iron, cobalt and nickel all form stable aluminides with nearly identical lattice parameters, yet manifest different physical properties, we compared calculated results for B2 FeAl, CoAl, NiAl and CuAl, with an eye toward elucidating those features that correlate with the observed physical properties. The first-principles calculations accurately reproduced the formation energiesof these compounds. Detailed analyses of the results explicitly demonstrated that factors commonly associated with bonding and brittleness in intermetallics-valency, ionicity and directional bonding-cannot in fact be the critical factors governing the behavior of these materials.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 25/11/20 alle ore 07:23:02