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Volumn 59, Issue 5, 1999, Pages 3393-3407

Interatomic potentials for monoatomic metals from experimental data and ab initio calculations

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[No Author keywords available]

Indexed keywords


EID: 0000484342     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.3393     Document Type: Article
Times cited : (1402)

References (62)
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    • Vitek, V.1    Ackland, G.J.2    Cserti, J.3
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    • Generally, the density at the jumping atom in the saddlepoint configuration depends on the trade-off between fewer neighbors (due to the involvement of a vacancy), and shorter interatomic distances. Our calculations for Ni, Al, and a number of other metals using different EAM potentials available to us always show a lower density at the jumping atom in the relaxed saddle-point configuration than at a regular lattice site. The ratio of the two densities is typically around 0.8. This observation seems to be rather general, but at least it is true for Ni and Al
    • Generally, the density at the jumping atom in the saddlepoint configuration depends on the trade-off between fewer neighbors (due to the involvement of a vacancy), and shorter interatomic distances. Our calculations for Ni, Al, and a number of other metals using different EAM potentials available to us always show a lower density at the jumping atom in the relaxed saddle-point configuration than at a regular lattice site. The ratio of the two densities is typically around 0.8. This observation seems to be rather general, but at least it is true for Ni and Al.
  • 49
    • 85038914247 scopus 로고    scopus 로고
    • R. A. Johnson, Many Atom Interactions, Proceedings in Physics, Vol. 48. Springer Verlag, Berlin (1990), p. 85
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    • The potential function for Al and Ni [(Formula presented) (Formula presented) and (Formula presented)], and a postscript version of this paper are available, for retrieval via FTP over the WWW from http://cst-www.nrl.navy.mil/bind/eam
    • The potential function for Al and Ni [(Formula presented) (Formula presented) and (Formula presented)], and a postscript version of this paper are available, for retrieval via FTP over the WWW from http://cst-www.nrl.navy.mil/bind/eam.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.