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We investigate theoretically the progressive coating of C60 by several sodium atoms. Density functional calculations using a nonlocal functional are performed for NaC60 and Na2C60 in various configurations. These data are used to construct…

Materials Science · Physics 2009-11-10 J. Roques , F. Calvo , F. Spiegelman , C. Mijoule

We report studies of the wetting behavior of Ne on very weakly attractive surfaces, carried out with the Grand Canonical Monte Carlo method. The Ne-Ne interaction was taken to be of Lennard-Jones form, while the Ne-surface interaction was…

Statistical Mechanics · Physics 2009-10-31 M. J. Bojan , G. Stan , S. Curtarolo , W. A. Steele , M. W. Cole

We propose a model describing the interatomic interaction at the interface between fullerene $\mathrm{C}_{60}$ and aluminum. Using the density functional theory, we calculate the binding energy and the fullerene's position on the…

Materials Science · Physics 2024-03-12 V. V. Reshetniak , O. B. Reshetniak , A. V. Aborkin , A. V. Filippov

The interactions between atoms and molecules may be described by a potential energy function of the nuclear coordinates. Non-bonded interactions are dominated by repulsive forces at short range and attractive dispersion forces at long…

Wetting transitions have been predicted and observed to occur for various combinations of fluids and surfaces. This paper describes the origin of such transitions, for liquid films on solid surfaces, in terms of the gas-surface interaction…

Materials Science · Physics 2015-05-13 Silvina M. Gatica , Milton W. Cole

We discuss the effect of an external electric field on the wetting of a solid surface by liquid. To this end, we use a model of the two-level-atom fluid for which the changes in interatomic interactions due to the presence of the field can…

Soft Condensed Matter · Physics 2017-02-20 Vasyl Myhal , Oleg Derzhko

We calculate the thermal Casimir--Polder potential of C60 and C70 fullerene molecules near gold and silicon nitride surfaces, motivated by their relevance for molecular matter wave interference experiments. We obtain the coefficients…

Optical properties of fullerite C$_{60}$ single crystals saturated with hydrogen and nitrogen molecules were studied in the temperature range from 20 K to 230 K using the spectral-luminescent method. Saturation was carried out under a…

Materials Science · Physics 2025-03-11 V. Zoryansky , P. Zinoviev , Yu. Semerenko

The optical properties of C$_{60}$ single crystals, intercalated with nitrogen molecules, were investigated by the spectral-luminescence method in the temperature range 20 - 230 K. The saturation was carried out under the pressure of 30…

Mesoscale and Nanoscale Physics · Physics 2021-09-29 P. V. Zinoviev , V. N. Zoryansky

We investigate wetting phenomena between self-bound quantum fluids in a three-component Bose mixture of $^{23}$Na, $^{39}$K, and $^{41}$K atoms. Within a density-functional approach including mean-field interactions and Lee-Huang-Yang…

Quantum Gases · Physics 2026-05-28 Francesco Ancilotto

We study wetting droplets formed of active Brownian particles in contact with a repulsive potential barrier, in a wedge geometry. Our numerical results demonstrate a transition between partially wet and completely wet states, as a function…

Statistical Mechanics · Physics 2023-10-12 Francesco Turci , Robert L. Jack , Nigel B. Wilding

The metal-semiconductor transition of peanut-shaped fullerene (C$_{60}$) polymers is clarified by considering the electron-phonon coupling in the uneven structure of the polymers. We established a theory that accounts for the transition…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Shota Ono , Hiroyuki Shima

The phenomenon of electrowetting, i.e., the dependence of the macroscopic contact angle of a fluid on the electrostatic potential of the substrate, is analyzed in terms of the density functional theory of wetting. It is shown that…

Soft Condensed Matter · Physics 2014-05-07 Markus Bier , Ingrid Ibagon

We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…

Soft Condensed Matter · Physics 2024-04-01 A. Kozina , M. Aguilar , O. Pizio , S. Sokołowski

We have studied the energy dependence of several first scattering phases with multi-atomic object. As concrete examples representing the general trends endohedrals Neon inside C60 and Argon inside C60 are considered. It appeared that the…

Atomic and Molecular Clusters · Physics 2015-02-20 M. Ya. Amusia , L. V. Chernysheva

When a drop of water is placed on a rough surface, there are two possible extreme regimes of wetting: the one called Cassie-Baxter (CB) with air pockets trapped underneath the droplet and the one characterized by the homogeneous wetting of…

Soft Condensed Matter · Physics 2015-10-16 Heitor C. M. Fernandes , Mendeli H. Vainstein , Carolina Brito

Metal-fullerene compounds are characterized by significant electron transfer to the fullerene cage, giving rise to an electric dipole moment. We use the method of electrostatic beam deflection to verify whether such reactions take place…

Atomic and Molecular Clusters · Physics 2022-04-26 John W. Niman , Benjamin S. Kamerin , Thomas H. Villers , Thomas M. Linker , Aiichiro Nakano , Vitaly V. Kresin

Wetting of a charged substrate by an electrolyte solution is investigated by means of classical density functional theory applied to a lattice model. Within the present model the pure, i.e., salt-free solvent, for which all interactions are…

Soft Condensed Matter · Physics 2013-06-06 Ingrid Ibagon , Markus Bier , S. Dietrich

We demonstrate droplet manipulation using electric signals to induce the liquid to wet or dewet on a hydrophilic conductive substrate in the air without adding layers. In this phenomenon, the contact angle changes more than 15{\deg} or…

Fluid Dynamics · Physics 2023-03-07 Lele Zhou , Rong Zhang , Hung-Ta Wang , Yifan Liu

Using a density functional based interface displacement model we determine the effective interaction potential between two spherical particles which are immersed in a homogeneous fluid such as the vapor phase of a one-component substance or…

Soft Condensed Matter · Physics 2009-10-31 C. Bauer , T. Bieker , S. Dietrich
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