A comparative study on surface tension, diffusion coefficient and shear viscosity coefficient of liquid transition metals
Source abstract
Abstract
Surface tensions of liquid transition metals of the 3 d , 4 d and 5 d series have been calculated using modified Mayer’s formula involving hard sphere (HS) interaction of liquids derived from first and second order approximations of Percus–Yevick (PY) solutions of isothermal compressibility. Effective HS diameter and packing fraction are key ingredients of this study. To determine them, we have used effective pair potential derived from both Bretonnet–Silbert (BS) pseudopotential model and many body potential obtained from embedded atom method (EAM) in conjunction with variational modified hypernetted chain (VMHNC) integral equation theory of liquid structure. Calculated values of surface tension are used to evaluate transport coefficients such as diffusion and shear viscosity coefficients. Comparing with experimental and simulated data, calculated results suggest that expression derived from second order approximation of PY solution with the combination of EAM potential and VMHNC theory works better than any other combinations for the concerned systems.
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Research context
OpenAlex topics: Material Dynamics and Properties · Thermodynamic and Structural Properties of Metals and Alloys · Thermal and Kinetic Analysis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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