Theory for the derivation of a single hard-sphere potential describing the overall molecular interactions in binary liquid metal alloys as a function of temperature and composition. [Structure factors]
The hard sphere potential provides the simplest mathematical formalism of a kinetic theory for liquids. Numerous attempts have been made to develop kinetic theories based on more complex potential models, but their mathematics become almost intractable, and the necessary approximations and assumptions introduce errors. Furthermore, the necessary input data are extensive, involved, and seldom available. The situation worsens in the case of binary liquid mixtures. One way of improving the hard-sphere results is the implementation of the mathematical formalism for hard-sphere potential with hard spheres shrinking at higher temperatures, i.e., the implementation of the kinetic theory for hard-sphere potential with ''effective'' soft spheres. In previous papers, a corresponding state principle were developed and numerically tested for the calculation of temperature-dependent hard spheres for liquid metals. It is shown how a binary liquid metal alloy can be simulated by a hypothetical single-component hard-sphere liquid, the overall molecular interactions of which are described by the ''effective'' soft-sphere potential for pure liquid metals. The simulation and potential are tested on the calculation of the structure factor of 71 binary alloys of different components, at different compositions and temperatures. The theoretical vehicle is the Percus--Yevick theory for the structure factor of pure liquids. Results are in excellent agreement with the Percus--Yevick theory for binary hard-sphere fluids and experimental data. 70 references. (DLC)
- Research Organization:
- Stanford Univ., CA
- OSTI ID:
- 7283271
- Journal Information:
- High Temp. Sci.; (United States), Journal Name: High Temp. Sci.; (United States) Vol. 7:4; ISSN HITSA
- Country of Publication:
- United States
- Language:
- English
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