Statistical Mechanics of Hard Spheres: Application of the Improved Scaled Particle Theory to the Hard Sphere Crystal

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作者
Bruno Baeyens
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[1] University College Ghent,Faculty of Technology
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Hard sphere system; Scaled particle theory; Contact correlation function; Crystal;
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摘要
In a previous article (Baeyens and Verschelde in J. Math. Phys. 36:201, 1995), an improved approach to the scaled particle theory of Reiss et al. was presented. We used a generalized series expansion of the contact correlation function G(y,r). Truncating it after the third term, we obtained a Padé-like expression for the compressibility factor of the system. That expression contains two parameters which we were able to calculate, not only for the fluid state, but also for the known glassy states (Baeyens and Verschelde in Z. Phys. B 102:255, 1997). The resulting equations of state are in good agreement with the simulation data. Yet in the case of the hard sphere crystal our improved scaled particle theory fails, which is one of the reasons why an extension of it is desirable.
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页码:1640 / 1648
页数:8
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