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Density Functional Formalism as a Description of the Elastic Behavior of a Hard-Sphere Crystal
The density functional method of Jarić and Mohanty [Phys. Rev. B 37, 4441 (1988)] for calculating the elastic moduli of crystalline solids is considered here from the perspective of some new findings. The very slow convergence of the reciprocal lattice vector summations and pres ...
Free Volume Approximation and Equation of State for the fcc Phase of Polydisperse Hard Spheres
Monte Carlo simulations of the fcc phase of polydisperse hard spheres near close packing are reported. An experimental equation of state (EoS) is determined numerically in the NpT ensemble with variable shape of the periodic box. The close packing volume extrapolated from the obtained data shows ...