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The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (FP-LAPW) method. Several dissociation pathways are…

mtrl-th · Physics 2009-10-28 Steffen Wilke , Matthias Scheffler

Hypothesis: Colloidal molecules with anisotropic shapes and interactions are powerful model systems for deciphering the behavior of real molecules and building units for creating materials with designed properties. While many strategies for…

Soft Condensed Matter · Physics 2022-07-19 Yogesh Shelke , Susana Marín-Aguilar , Fabrizio Camerin , Marjolein Dijkstra , Daniela J. Kraft

We analyze the depletion interaction between two hard colloids in a hard--sphere solvent and pay special attention to the limit of large size ratio between colloids and solvent particles which is governed by the well--known Derjaguin…

Soft Condensed Matter · Physics 2007-05-23 M. Oettel

We establish upper and lower universal bounds for potentials of weighted designs on the sphere $\mathbb{S}^{n-1}$ that depend only on quadrature nodes and weights derived from the design structure. Our bounds hold for a large class of…

Metric Geometry · Mathematics 2024-12-11 S. Borodachov , P. Boyvalenkov , P. Dragnev , D. Hardin , E. Saff , M. Stoyanova

We investigate binary mixtures of large colloids interacting through soft potentials with small, ideal depletants. We show that softness has a dramatic effect on the resulting colloid-colloid effective potential when the…

Soft Condensed Matter · Physics 2015-01-15 Lorenzo Rovigatti , Nicoletta Gnan , Alberto Parola , Emanuela Zaccarelli

Phoretic colloids self-propel thanks to surface flows generated in response to surface gradients (thermal, electrical, or chemical), that are self-induced and/or generated by other particles. Here we present a scalable and versatile…

Soft Condensed Matter · Physics 2024-07-29 Blaise Delmotte , Florencio Balboa Usabiaga

When sheets of layered material like C, WS$_2$ or BN are restricted to finite sizes, they generally form single- and multi-walled hollow nanoparticles in order to avoid dangling bonds. Using continuum approaches to model elastic deformation…

Soft Condensed Matter · Physics 2007-05-23 U. S. Schwarz , S. A. Safran , S. Komura

The organization of water molecules and ions between charged mineral surfaces determines the stability of colloidal suspensions and the strength of phase-separated particulate gels. In this article we assemble a density functional that…

Soft Condensed Matter · Physics 2024-05-15 Thomas Petersen

Surface properties of mixtures of charged platelike colloids and salt in contact with a charged planar wall are studied within density functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Ludger Harnau , S. Dietrich

We theoretically study the elastic deformation of a fluid membrane induced by an adhering spherical colloidal particle within the framework of a Helfrich energy. Based on a full optimization of the membrane shape we find a continuous…

Soft Condensed Matter · Physics 2009-11-07 Markus Deserno , Thomas Bickel

The effective interaction energy of a colloidal sphere in a suspension containing small amounts of non-ionic polymers and a flat glass surface has been measured and calculated using total internal reflection microscopy (TIRM) and a novel…

Condensed Matter · Physics 2009-10-31 C. Bechinger , D. Rudhardt , P. Leiderer , R. Roth , S. Dietrich

We perform an analysis of the combined effects of geometry and a magnetic field for the case of a charged particle on a helicoid. The effective quantum potentials for a charged spinless particle confined on a helicoid for two simple…

Mesoscale and Nanoscale Physics · Physics 2012-11-28 Miguel Antonio Sulangi , Quirino M. Sugon

We perform numerical simulations of purely repulsive soft colloidal particles interacting via a generalized elastic potential and constrained to a two-dimensional plane and to the surface of a spherical shell. For the planar case, we…

Soft Condensed Matter · Physics 2011-06-16 William L. Miller , Angelo Cacciuto

In the context of Rosenfeld's Fundamental Measure Theory, we show that the bending rigidity is not equal to zero for a hard-sphere fluid in contact with a curved hard wall. The implication is that the Hadwiger Theorem does not hold in this…

Soft Condensed Matter · Physics 2015-06-12 Edgar M. Blokhuis

Entropic forces in colloidal suspensions and in polymer-colloid systems are of long-standing and continuing interest. Experiments show how entropic forces can be used to control the self-assembly of colloidal particles. Significant advances…

Soft Condensed Matter · Physics 2014-10-17 A. Scala , P. G. De Sanctis Lucentini

It is known that when hard spheres are added to a pure system of hard rods the stability of the smectic phase may be greatly enhanced, and that this effect can be rationalised in terms of depletion forces. In the present paper we first…

Soft Condensed Matter · Physics 2022-06-07 Yuri Martinez-Raton , Giorgio Cinacchi , Enrique Velasco , Luis Mederos

The static electrogravitational equations are studied and it is shown that an aligned type D metric which has a Weyl-type relationship between the gravitational and electric potential has shearfree geodesic lines of force. All such fields…

General Relativity and Quantum Cosmology · Physics 2015-06-25 Brendan S. Guilfoyle

As a first step towards a microscopic understanding of the effective interaction between colloidal particles suspended in a solvent we study the wetting behavior of one-component fluids at spheres and fibers. We describe these phenomena…

Condensed Matter · Physics 2015-06-25 T. Bieker , S. Dietrich

Suspensions of hard colloidal particles frequently serve as model systems in studies on fundamental aspects of phase transitions. But often colloidal particles that are considered as ``hard'' are in fact weakly charged. If the colloids are…

Soft Condensed Matter · Physics 2014-03-24 Sven Dorosz , Nikhilesh Shegokar , Tanja Schilling , Martin Oettel

A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…

Soft Condensed Matter · Physics 2007-05-23 Patrick B. Warren