Calculations of g(r) for liquid Cu and Ni using many-body potentials

G. M. Bhuiyan; M. A. Khaleque; R. I.M.A. Rashid; S. M. Mujibur Rahman

doi:10.1080/00319109708030583

Calculations of g(r) for liquid Cu and Ni using many-body potentials

G. M. Bhuiyan^*, M. A. Khaleque, R. I.M.A. Rashid, S. M. Mujibur Rahman

^*Corresponding author for this work

Physics

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

The pair distribution function, g(r), for Ni and Cu at various temperatures above melting are investigated by using the Finnis-Sinclair (FS) many-body potentials and the thermodynamically self-consistent Variational Modified Hypernetted Chain (VMHNC) theory. The overall agreement with experiment is reasonably good The calculations indicate that the many-body interactions, precisely taken care of by the FS potentials, are important for the study of g(r) for the liquid transition and noble metals. The results also permit us to examine the applicability of the temperature independent approximation of the FS potentials.

Original language	English
Pages (from-to)	153-163
Number of pages	11
Journal	Physics and Chemistry of Liquids
Volume	35
Issue number	3
DOIs	https://doi.org/10.1080/00319109708030583
Publication status	Published - 1997

Keywords

Liquid Cu and Ni
Many body potentials
Variational modified hypernetted chain theory

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Physical and Theoretical Chemistry
Materials Chemistry

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10.1080/00319109708030583

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abstract = "The pair distribution function, g(r), for Ni and Cu at various temperatures above melting are investigated by using the Finnis-Sinclair (FS) many-body potentials and the thermodynamically self-consistent Variational Modified Hypernetted Chain (VMHNC) theory. The overall agreement with experiment is reasonably good The calculations indicate that the many-body interactions, precisely taken care of by the FS potentials, are important for the study of g(r) for the liquid transition and noble metals. The results also permit us to examine the applicability of the temperature independent approximation of the FS potentials.",

keywords = "Liquid Cu and Ni, Many body potentials, Variational modified hypernetted chain theory",

author = "Bhuiyan, {G. M.} and Khaleque, {M. A.} and Rashid, {R. I.M.A.} and {Mujibur Rahman}, {S. M.}",

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T1 - Calculations of g(r) for liquid Cu and Ni using many-body potentials

AU - Bhuiyan, G. M.

AU - Khaleque, M. A.

AU - Rashid, R. I.M.A.

AU - Mujibur Rahman, S. M.

PY - 1997

Y1 - 1997

N2 - The pair distribution function, g(r), for Ni and Cu at various temperatures above melting are investigated by using the Finnis-Sinclair (FS) many-body potentials and the thermodynamically self-consistent Variational Modified Hypernetted Chain (VMHNC) theory. The overall agreement with experiment is reasonably good The calculations indicate that the many-body interactions, precisely taken care of by the FS potentials, are important for the study of g(r) for the liquid transition and noble metals. The results also permit us to examine the applicability of the temperature independent approximation of the FS potentials.

AB - The pair distribution function, g(r), for Ni and Cu at various temperatures above melting are investigated by using the Finnis-Sinclair (FS) many-body potentials and the thermodynamically self-consistent Variational Modified Hypernetted Chain (VMHNC) theory. The overall agreement with experiment is reasonably good The calculations indicate that the many-body interactions, precisely taken care of by the FS potentials, are important for the study of g(r) for the liquid transition and noble metals. The results also permit us to examine the applicability of the temperature independent approximation of the FS potentials.

KW - Liquid Cu and Ni

KW - Many body potentials

KW - Variational modified hypernetted chain theory

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JO - Physics and Chemistry of Liquids

JF - Physics and Chemistry of Liquids

IS - 3

ER -

Calculations of g(r) for liquid Cu and Ni using many-body potentials

Abstract

Keywords

ASJC Scopus subject areas

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