Structural, Thermodynamic and Transport Troperties of Liquid Noble and Transition Metals

Bhuiyan, G. M.; Rahman, A.; Khaleque, M.A.; Rashid, R. I. M. A.; Rahman, Syed Ajijur

doi:10.1080/00319100008045292

Cited by 7 publications

(2 citation statements)

References 26 publications

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“…Computer experiments are always intended to propose a plausible interpretation of experimental results in some cases to give the solution to an experimentally inaccessible problem. Despite the success of the theory in the solid state, results for the structure factor of liquid transition metals using molecular dynamics and other complicated liquid state theories have not been so reliable [1][2][3][4][5][6][7][8][9][10]. The reliability of the predicted values, however, entirely depends on the validity of a given interatomic potential and the model used.…”

Section: Introductionmentioning

confidence: 99%

“…The calculations of the atomic interactions in bonded metals have mainly been based on the density dependent pairwise potentials derived from electronion pseudopotential with the linear response theory and second order perturbation theory. The statistical mechanics side of the problem has been calculated with perturbation theory integral equations and computer simulations [1][2][3][4][5][6][7][8][9][10]. Although a lot of work has been done on both the structure and thermodynamics, still some questions await a definite answer.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical Investigation of Thermodynamical and Structural Properties of 3d Liquid Transition Metals Using Different Reference Systems

Sonvane

Thakor

Jani

2012

ISRN Thermodynamics

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The present paper deals with the theoretical investigation of thermodynamical and structural properties like internal energy (E), entropy (S), Helmholtz free energy (F), isothermal compressibility (χ T ), specific Heat (C V ), structure factor S(q), and long wave length limit S(0) of structure factor of 3d liquid transition metals. To describe electron-ion interaction we have used our newly constructed parameter free model potential. To perform this task, we have used different reference systems like Percus Yevick Hard Sphere (PYHS), One Component Plasma (OCP), and Charged Hard Sphere (CHS) reference systems. We have also seen the influence of different local field correction functions like Hartree (HR), Taylor (TR), and Sarkar et al. (SR) on thermodynamical properties of 3d liquid transition metals. Finally we conclude that the proper choice of the model potential along with reference system plays a vital role in the study of thermodynamical and structural properties of 3d liquid transition metals.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of Thermodynamical and Structural Properties of 3d Liquid Transition Metals Using Different Reference Systems

Sonvane

Thakor

Jani

2012

ISRN Thermodynamics

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Electronic Transport Properties of Liquid Less-Simple Metals

Sharmin

Bhuiyan

Khaleque

et al. 2002

phys. stat. sol. (b)

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PACS: 72.15.Jf; 72.15.Lh; 72.15.Cz Electronic transport properties, namely the electrical resistivity and the thermoelectric power, of liquid less-simple metals, Zn, Cd, Hg, In, Tl, Sn, Pb, Sb, and Bi, are calculated using Ziman's theory. The effective electron-ion and ion-ion interactions are described by the Bretonnet-Silbert model. The static structure factors are evaluated by the self-consistent Variational Modified Hypernetted Chain (VMHNC) integral equation of liquids. The results for the electrical resistivity are fairly good when compared with experimental data, but the agreement improves significantly when the blurring of the Fermi surface due to the finite electron mean free path is accounted for. The values of the thermoelectric power, for most systems, have the same sign and order of magnitude as the experimental ones. The results for the thermopower also show that the contribution of the energy dependent term of the electron-ion potential is significant for the concerned systems.

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A comparative study on surface tension, diffusion coefficient and shear viscosity coefficient of liquid transition metals

Gosh

Pandit

Sarkar

2023

Journal of Non-Crystalline Solids

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Structural, Thermodynamic and Transport Troperties of Liquid Noble and Transition Metals

Cited by 7 publications

References 26 publications

Theoretical Investigation of Thermodynamical and Structural Properties of 3d Liquid Transition Metals Using Different Reference Systems

Theoretical Investigation of Thermodynamical and Structural Properties of 3d Liquid Transition Metals Using Different Reference Systems

Electronic Transport Properties of Liquid Less-Simple Metals

A comparative study on surface tension, diffusion coefficient and shear viscosity coefficient of liquid transition metals

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