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Titolo:
Atomistic study of fracture of nanoscale materials by molecular dynamics and lattice Green's function methods
Autore:
Masuda-Jindo, K; Menon, M; Van Hung, V;
Indirizzi:
Tokyo Inst Technol, Dept Mat Sci & Engn, Midori Ku, Yokohama, Kanagawa 2268503, Japan Tokyo Inst Technol Yokohama Kanagawa Japan 2268503 anagawa 2268503, Japan Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA Univ Kentucky Lexington KY USA 40506 ys & Astron, Lexington, KY 40506 USA Hanoi Natl Pedagog Univ, Hanoi, Vietnam Hanoi Natl Pedagog Univ Hanoi Vietnam Natl Pedagog Univ, Hanoi, Vietnam
Titolo Testata:
JOURNAL DE PHYSIQUE IV
fascicolo: PR5, volume: 11, anno: 2001,
pagine: 11 - 18
SICI:
1155-4339(200109)11:PR5<11:ASOFON>2.0.ZU;2-6
Fonte:
ISI
Lingua:
ENG
Soggetto:
DISLOCATION NUCLEATION; CARBON NANOTUBES; SEMICONDUCTORS; CRACKS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
26
Recensione:
Indirizzi per estratti:
Indirizzo: Masuda-Jindo, K Tokyo Inst Technol, Dept Mat Sci & Engn, Midori Ku, Yokohama, Kanagawa 2268503, Japan Tokyo Inst Technol Yokohama Kanagawa Japan 2268503 Japan
Citazione:
K. Masuda-Jindo et al., "Atomistic study of fracture of nanoscale materials by molecular dynamics and lattice Green's function methods", J PHYS IV, 11(PR5), 2001, pp. 11-18

Abstract

ne fracture behaviors of nanoscale sp-bonded materials have been studied using the molecular dynamics and lattice Green's function methods. Ile initial atomic structures of the crack are determined both from the elastic solutions as well as from those by lattice Green's function method for the infinite systems. Firstly, we calculate the Green function for the defective lattice, with dislocation and crack, by solving the Dyson equation, appropriate for absolute zero temperature. After the lattice Green functions of the absolute zero temperature have been determined, the lattice parameters and interatomic force constants are adjusted to fit to materials at temperatureT. In general, we have found that the lattice trapping and stress intensity factors for dislocation emission K-Ile. The fracture and strength properties are also investigated for the nanocrystalline materials like semiconductor quantum wire and nanotubes. The O(N) tight-binding molecular dynamics (TBMD) method is used to analyze the reconstruction of atomic bonding near the crack tip as well as the cleaved surface. We compare the fracture behavior of nanoscale materials with those of corresponding bulk-size materials.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 28/11/20 alle ore 23:14:07