P. B. Thakor

Electronic transport properties of some transition liquid metals

The electronic transport properties of electrical resistivity (ρ), thermoelectric power (Q) and thermal conductivity (σ) of some transition liquid metals (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Zr, Pd, Ag, Cd, Pt, Au and Hg) are evaluated using Zimans formula, along with our newly constructed parameter-free model potential. To describe the structural information, the structure factor S(q) from the Percus–Yevick Hard Sphere (PYHS) reference system is used. The various local-field correction functions, namely Hartree (H), Vashishta–Singwi (VS), Hubbard–Shamm (HS), Sarkar et al. (SS), Ichimaru–Utsumi (IU), Taylor (T) and Farid et al. (F), have been incorporated to see the influence of exchange and correlation effects on electronic transport properties. The proper choice of the model potential, along with the local field correction function and the oxidation state (valency Z), plays a vital role in the study of the electronic transport properties of some transition liquid metals.

Structural properties of some liquid transition metals

This article addresses the computation of structural properties of liquid transition metals, namely, 3d (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn), 4d (Zr, Pd, Ag and Cd) and 5d (Pt, Au and Hg). We have calculated the structure factor S(q), pair distribution function g(r), interatomic distance r 1, coordination number n 1, long wavelength limit of structure factor S(0) and isothermal compressibility χT for liquid transition metals. To describe electron–ion interaction, we have used our own model potential along with one component plasma reference system. To see the influence of exchange and correlation effect, Sarkar et al.s [Mod. Phys. Lett. B12, 639 (1998)] local field correlation function is used. Thus, our newly constructed model potential has successfully generated the structural properties (structure factor S(q), pair distribution function g(r), interatomic distance r 1, coordination number n 1, long wavelength limit of structure factor S(0) and isothermal compressibility χT ) for liquid transition metals.

Atomic transport and surface properties of some simple liquid metal using one component plasma system

In the present paper, we have calculated diffusion coefficient, viscosity coefficient, and surface tension of liquid metals near melting point (Li, Na, K, Rb, Cs, Mg, Al, Pb, and Bi). We have applied our newly constructed model potential to describe electron ion interaction with one component plasma reference system. We have also investigated the effect of different correction functions such as those of Hartree, Hubbard and Sham, Vashista and Singwi, Taylor, Ichimaru and Utsumi, Farid et al., and Sarkar et al. on the above-said properties. It is observed that the present results are found to be in good agreement with those of experimental data as well as with other theoretical results.

Electrical Resistivity of Ni-Cr Liquid Binary Alloy

Present paper dealswith the calculation of electrical resistivity (ρ) of Ni-Cr liquid binary alloy using Faber-Ziman formulation. Todescribe electron-ion interaction we have used newly constructed parametricfree model potential along with Ashcroft-Langreth (AL) partial structurefactor. To see the influence of exchangeand correlation effect, Hartree, Taylor and Sarkar et al local field correlation functions are used. From presentresults, it is seen that good agreements between present results andexperimental data have been achieved. Lastly we conclude that our model potential successfully produces thedata of electrical resistivity (ρ) ofNi-Cr liquid binary alloy.

Thermodynamical Properties of 3d Transition Liquid Metals

In the present study we have calculated thermodynamical properties like entropy (S), internal energy (E) and Helmholtz free energy (F) of 3d transition liquid metals using variational principle based on the Gibbs‐Bogolyubov inequality with hard sphere reference system. To describe electron‐ion interaction, we have used our newly constructed parameter free model potential. To see the influence of exchange and correlation effect, Sarkar et al. local field correlation function is used. Lastly, we conclude that our newly constructed model potential is capable to explain the thermodynamical properties of 3d transition liquid metals.

Thermodynamical properties of RbCs liquid binary alloys

Our well established model potential is applied to compute the thermodynamical properties like internal energy (E), entropy (S hs), Helmholtz free energy (F ), heat of mixing (ΔE) and entropy of mixing(ΔS) of Rbc1Csc2 liquid binary alloys as a function of concentration at constant temperature and pressure. To introduce exchange and correlation effects, the local field correction functions due to Hartree, Taylor and Sarkar et al. are used. It is found that thermodynamical properties of Rbc1Csc2 liquid binary alloys are sensitive to the form of the model potential used, structural part of the energy, form of the local field correction function and volume of the mixing. The theory explains the symmetry of heat of mixing and entropy of mixing. Thus, the proper choice of the model potential along with the local field correction function plays an important role in the study of the thermodynamical properties of Rbc1Csc2 liquid binary alloys. This confirms the applicability of our model potential in explaining the thermodynamics of liquid Rbc1Csc2 liquid binary alloys.

Temperature Dependent Surface Properties of Liquid Alkali Metals

Temperature dependent surface properties like surface tension (γ) and surface entropy (SV) of liquid alkali metals are studied in the present paper. Our newly constructed parameter free model potential is used to describe the electron-ion interaction. To see the influence of local field correction function on surface properties of liquid alkali metal, we have used Sarkar et al local field correction function. The present results are found in good agreement with available experimental data as well as other theoretical data. Lastly we conclude that our model potential is capable to explain surface properties of liquid alkali metals.

Concentration Depended Thermodynamic Properties of Fe-Co Liquid Binary Alloy

The thermodynamic properties like heat of mixing (ΔE), entropy of mixing (ΔS) and volume of mixing (ΔΩ) of Fe-Co liquid binary alloys are computed using our newly constructed parameter free model potential. We have also attempted to investigate the effect of various forms of exchange and correlation functions, namely, Hartree (H) and Taylor (T) on the thermodynamic properties of Fe-Co liquid binary alloys. It is found that the proper choice of the model potential along with the local field correction function play an important role in investigating the thermodynamic properties of Fe-Co liquid binary alloys.

Theoretical Investigation of Electrical Transport Property of Co-Cr Liquid Binary Alloy

Electronic transport property like electrical resistivity (ρ) of Co-Cr liquid binary alloy is calculated using Faber-Ziman formulation. To describe electron-ion interaction we have used newly constructed parametric free model potential along with Ashcroft-Langreth (AL) partial structure factor. To see the effect of exchange and correlation effect on electrical resistivity, we have used different local field correction functions like Hartree, Taylor and Sarkar et al. From present results, it is seen that good agreements between present results and experimental data have been achieved. Lastly we conclude that our model potential successfully produces the data of electrical resistivity (ρ) of Co-Cr liquid binary alloy.

Thermodynamics of Na-based liquid binary alloys

The thermodynamic properties like internal energy (E), entropy (S), Helmhöltz free energy (F), heat of mixing (ΔE), entropy of mixing (ΔS) and volume of mixing (ΔΩ) of Na-based liquid binary alloys are computed using our own model potential. We have also attempted to investigate the effect of various forms of exchange and correlation functions, namely, Hartree (H), Taylor (T) and Sarkar et al. (SS) on the thermodynamic properties of the aforementioned alloys. It is found that the thermodynamic properties of Na-based liquid binary alloys are sensitive to the forms of the model potential and the local field correction function used in the computation. Thus, the proper choice of the model potential along with the local field correction function play an important role in investigating the thermodynamic properties of Na-based liquid binary alloys. This confirms the applicability of our model potential in explaining the thermodynamics of Na-based liquid binary alloys.