Transport coefficients and validity of the Stokes-Einstein relation in metallic melts: From excess entropy scaling laws

Shrivastava, Ruchi; Mishra, Raj Kumar

doi:10.1016/j.chemphys.2017.06.014

Cited by 8 publications

(1 citation statement)

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“…A well-established statistical mechanics model using Percus-Yevick (PY) hard-sphere reference system invoked with SW attractive part has been successfully applied to investigate structural functions, transport coefficients, thermodynamic and thermophysical properties of liquid metals, and binary liquid alloys [17][18][19][20][21][22][23][24][25]. Bhatia and Thornton (BT) [26][27][28] proposed thermodynamically important three correlation functions which depend on the fluctuations in number and concentration of constituent elements in a binary melts.…”

Section: Introductionmentioning

confidence: 99%

Correlation between structures and atomic transport properties of compound forming liquid Cu-In alloys

Lalnuntluanga¹,

Lalneihpuii²,

Pachuau³

et al. 2022

Phys. Scr.

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The Lebowitz solution of the Percus-Yevick hard-sphere mixture is invoked with the square-well potential function to determine Ashcroft-Langreth type three partial correlation functions in binary Cu-In liquid alloys. These computed partial correlation functions have been employed to generate Bhatia-Thornton fluctuations in the considered melts. Using these structural parameters we investigate the temperature and composition-dependent diffusion coefficients of considered melts. The computed values of concentration-concentration fluctuations, in the long-wavelength limit and the Warren-Cowley short-range order parameter, show the formation of chemical compounds between unlike atoms in the In-rich region of Cu-In melts. We find a very good agreement between theoretically formulated and computed data of with the corresponding experimental values. Computed results of and suggest that hetero coordination is favorable over homo coordination in the investigated melts. The validity of the Stokes-Einstein relation was observed over a wide range of temperature and composition in the investigated melts. Further, a new correlation between two body pair excess entropy and the Stoke-Einstein relation has been formulated for square-well binary liquid alloys. Surface tension and compressibility as a function of In composition have been computed through microscopic structural functions of the alloys. Computed , , surface tension and ratio of mutual to intrinsic diffusion (Dm/Did) are found comparable to available simulated data. The computed values of shear viscosity are in good agreement with the experimental data. Calculated results suggest that the combination of hard sphere potential with square-well tail under mean spherical model approximation is one of the good method for determining the structures and transport coefficients of compound forming binary liquid alloys.

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