Stability of solid phases in the dipolar hard sphere system
نویسندگان
چکیده
منابع مشابه
The Chiral Dipolar Hard Sphere Model
A simple molecular model of chiral molecules is presented in this paper : the chiral dipolar hard sphere model. The discriminatory interaction between enantiomers is represented by electrostatic (or magnetic) dipoles-dipoles interactions : short ranged steric repulsion are represented by hard sphere potential and, in each molecule, two point dipoles are located inside the sphere. The model is d...
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In this contribution, we investigate the low-temperature, low-density behaviour of dipolar hard-sphere (DHS) particles, i.e., hard spheres with dipoles embedded in their centre. We aim at describing the DHS fluid in terms of a network of chains and rings (the fundamental clusters) held together by branching points (defects) of different nature. We first introduce a systematic way of classifying...
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We show that near densest packing the perturbations of the hexagonal close packed (hcp) structure yield higher entropy than perturbations of any other densest packing. The difference between the various structures shows up in the correlations between motions of nearest neighbors. In the hcp structure random motion of each sphere impinges slightly less on the motion of its nearest neighbors than...
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The stability of the hard-sphere icosahedral quasilattice is analyzed using the differential formulation of the generalized effective liquid approximation. We find that the icosahedral quasilattice is metastable with respect to the hardsphere crystal structures. Our results agree with recent findings by McCarley and Ashcroft [Phys. Rev. B 49, 15600 (1994)] carried out using the modified weighte...
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Monte Carlo computer simulations are used to study transient cavities and the solvation of hard-spheroid solutes in dipolar hard-sphere solvents. The probability distribution of spheroidal cavities in the solvent is shown to be well described by a Gaussian function, and the variations of fit parameters with cavity elongation and solvent properties are analyzed. The excess chemical potentials of...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2011
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268976.2011.610368