Interatomic forces in the b.c.c. transition metals

Matthai, Clarence Cherian; Grout, P. J.; March, N. H.

doi:10.1016/0022-3697(81)90147-5

Cited by 15 publications

(1 citation statement)

References 10 publications

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“…transition metals [4], due to the directional bonding introduced by the d-d electron interaction [5]. Also, it was found in [6] that the introduction of bond charges in some b.c.c. transition metals produced better agreement with experimental X-ray scattering data and phonon dispersion curves.…”

Section: Introductionmentioning

confidence: 98%

A Model B.C.C. Iron Including Angular Interactions. The Self‐Interstitial

Simonelli

Pasianot

Savino

1995

Physica Status Solidi (b)

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Self-interstitial configurations in Fe are simulated using an embedded-atom-method (EAM) interatomic potential and an embedded-defect (ED) one recently developed by the authors. The latter potential includes angular-dependent many-body local terms. Formation energy and lattice distortion for the (110) and (111) oriented dumbbells are calculated. The relative contributions of the pair and many-body interaction terms to these properties are discussed. Comparisons with other many-body potentials from the literature are made.

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Section: Introductionmentioning

confidence: 98%

A Model B.C.C. Iron Including Angular Interactions. The Self‐Interstitial

Simonelli

Pasianot

Savino

1995

Physica Status Solidi (b)

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The Separable Potential Method A Unified Approach to Various Lattice Models

Idiodi

1991

Physica Status Solidi (b)

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A Unified Approach to Various Lattice Models BY J. 0. A. IDIODI This work proposes the separable potential method (SPM) as a unified treatment of a class of lattice models. The richness in structure of the unified approach is demonstrated through contact with some of the most important lattice models in the literature, the embedded-atom method (EAM) being one of such models. As a practical application of SPM some fairly extensive results for f.c.c. metallic copper are reported.Ce travail propose le ((separable potential method (SPM))) pour le traitement unifie d'une classe des modeles lattice. La richesse en structure de cette approche est mise en evidence en comparant avec des modeles les plus importants trouves dans la litterature tel que I' ((embedded atom method (EAM),). Des nombreuses resultats pour c.f.c. Cu sont presentes pour demontrer I'application de la SPM.') Benin City, Nigeria. 24'

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Angular Forces in Transition Metals and Diamond Structure Semiconductors

Carlsson

1989

Atomistic Simulation of Materials

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Interatomic forces in the b.c.c. transition metals

Cited by 15 publications

References 10 publications

A Model B.C.C. Iron Including Angular Interactions. The Self‐Interstitial

A Model B.C.C. Iron Including Angular Interactions. The Self‐Interstitial

The Separable Potential Method A Unified Approach to Various Lattice Models

Angular Forces in Transition Metals and Diamond Structure Semiconductors

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