Free-energy density functional for hard spheres

Tarazona, P.

doi:10.1103/physreva.31.2672

Cited by 1,035 publications

(660 citation statements)

References 23 publications

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“…A T-structure as shown in Figure 11 can be applied as a model for plasmonic waveguides, [136,137] three-way interconnects, [138] threeway connectors, [139] spin filters [140] or a transistor structure with leads. [141][142][143] Tarazona [144] introduced a free-energy density functional for a system of hard spheres. He showed that the functional was able to reproduce the thermodynamics and direct correlation function of a homogeneous fluid, and A.…”

Section: Density Functional Theory Model With Anisotropic Interactionsmentioning

confidence: 99%

Fabrication, Assembly, and Application of Patchy Particles

Pawar

Kretzschmar

2010

Macromol. Rapid Commun.

444

411

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The site‐specific engineering of colloidal surfaces has provided a powerful approach to pushing the boundaries of today's materials research. The resulting surface‐anisotropic and patchy particles have become the center of vital research areas, ranging from the need for large‐scale fabrication techniques to exploring new applications of these materials. This Review summarizes patchy particle fabrication techniques, including but not limited to particle and nanosphere lithography and glancing‐angle deposition. The variety of existing patchy particle fabrication techniques is revealed and the need for a scalable approach to high‐volume patchy particle production is identified. Ongoing modeling efforts describing patchy particle interactions and properties are reviewed as potential predictive tools. Research endeavors that deal with the directed assembly of patchy particles in electric and magnetic fields, as well as with supraparticular assembly through chemical interactions, are discussed. The Review is concluded with a note on the future application of patchy particles as phoretic motors.magnified image

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Section: Density Functional Theory Model With Anisotropic Interactionsmentioning

confidence: 99%

Fabrication, Assembly, and Application of Patchy Particles

Pawar

Kretzschmar

2010

Macromol. Rapid Commun.

444

411

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“…This entropic transition was first observed in Monte Carlo simulations almost half a century ago 12 , and has since been confirmed by various theoretical methods 13,6,14 . In the presence of a gravitational field the pressure inside the suspension varies uniformly with maximum value located at z = 0.…”

Section: The Hard Sphere Fluid In the Gravitational Fieldmentioning

confidence: 85%

“…Within the liquid state theory it is well known that the LDA cannot be used to obtain reliable information about the fluid-solid coexistence. The reason for this is that the LDA fails to account for strong density variations in a highly structured phase, such as the solid 5,6 . Furthermore, in the absence of an external field, the LDA for hard spheres reduces to the usual Carnahang-Starling equation of state 7 , which carries no information about the entropy driven crystallization of a homogeneous hard sphere fluid.…”

Section: Introductionmentioning

confidence: 99%

Crystallization of hard spheres under gravity

Levin

2000

Physica A: Statistical Mechanics and its Applications

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“…Among various models for F h [ρ(r)], the weighted density approximation (WDA) 30,36,37 with a weight function independent of weighted density represents an optimal combination of accuracy and simplicity. It is non-local with respect to ρ(r); it takes into account short-ranged correlations and captures the fluid density oscillations near a hard wall.…”

Section: Introductionmentioning

confidence: 99%

Probabilistic Approach to the Length-Scale Dependence of the Effect of Water Hydrogen Bonding on Hydrophobic Hydration

Djikaev

Ruckenstein

2013

J. Phys. Chem. B

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Abstract.We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe radius. This approach can be used in the density functional theory (DFT) and computer simulations to examine particle size effects on the hydration of particles and on their solvent-mediated interaction. For example, it allows one to explicitly identify a water hydrogen bond contribution to the external potential whereto a water molecule is subjected near a hydrophobe. The DFT implementation of the model predicts the hydration free energy per unit area of a spherical hydrophobe to be sharply sensitive to the hydropobe radius for small radii and weakly sensitive thereto for large ones; this corroborates the vision of the hydration of small and large length-scale particles as occurring via different mechanisms. On the other hand, the model predicts that the hydration of even apolar particles of small enough radii may become thermodynamically favorable owing to the interplay of the energies of pairwise (dispersion) water-water and water-hydrophobe interactions. This sheds light on previous counterintuitive observations (both theoretical and simulational) that two inert gas molecules would prefer to form a solvent-separated pair rather than a contact one.

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Free-energy density functional for hard spheres

Cited by 1,035 publications

References 23 publications

Fabrication, Assembly, and Application of Patchy Particles

Fabrication, Assembly, and Application of Patchy Particles

Crystallization of hard spheres under gravity

Probabilistic Approach to the Length-Scale Dependence of the Effect of Water Hydrogen Bonding on Hydrophobic Hydration

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