Related papers: Analytical Interaction Potential for Lennard-Jones…
We consider a ring of strongly interacting electrons connected to two external leads by tunnel junctions. By studying the positions of conductance resonances as a function of gate voltage and magnetic flux the interaction parameter $g$ can…
The Lennard-Jones 12-6 potential (LJ) is arguably the most widely used pair potential in Molecular Simulations. In fact, it is so popular that the question is rarely asked whether it is fit for purpose. In this paper, we argue that, whilst…
We study the dependence of the intrinsic conductance of a nanocontact on its shape by using the recursion-transfer-matrix method. Hour-glass, torus, and spherical shapes are defined through analytic potentials, the latter two serving as…
We calculate the `exact' potential corresponding to a one-dimensional interacting system of two electrons with a specific, tailored density. We use one-dimensional density-functional theory with a local-density approximation (LDA) on the…
The coagulation enhancement factor due to electrostatic (Coulomb and polarization-induced) interaction between silicon nanoparticles was numerically computed for different nanoparticle sizes and charges in typical low-emperature…
Condensates of active particles such as cells form almost-crystalline lattices which play a central role in many biological systems. Typically, their properties have been determined merely by analogy to the rather trivial one-dimensional…
We extend a recently introduced method for computing Casimir forces between arbitrarily--shaped metallic objects [M. T. H. Reid et al., Phys. Rev. Lett._103_ 040401 (2009)] to allow treatment of objects with arbitrary material properties,…
We study the correlations (and alignment as a particular case) existent between the fragments originated in a decaying process when the daughter particles interact. The interaction between the particles is modeled using the potential of…
We discuss techniques to tune and shape the long-range part of the interaction potentials in quantum gases of polar molecules by dressing rotational excitations with static and microwave fields. This provides a novel tool towards…
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species…
Long-range electrostatic interactions critically affect polar materials. However, state-of-the-art atomistic potentials, such as neural networks or Gaussian approximation potentials employed in large-scale simulations, often neglect the…
The interaction of a bulk electron with conducting surfaces is studied by means of Bohm-Pines transformation in the second quantization formalism. The effective interaction potentials are obtained for the case of one plane and two plane…
We analyzed pattern formation and identified different phases in a system of particles interacting through a non-monotonic short-range repulsive (r<r_c) and long-range attractive (r>r_c) potential, using molecular-dynamics simulations.…
Within an Onsager-like density functional theory we explore the thermodynamic and structural properties of an isotropic and nematic fluid of hard needle-like colloids in contact with a hard substrate coated with a soft short-ranged…
A novel mechanical approach is developed to explore by means of atom-scale simulation the concept of line tension at a solid-liquid-vapor contact line as well as its dependence on temperature, confinement, and solid/fluid interactions. More…
Keldysh formalism is used to get the current-voltage characteristic of a small system of interacting electrons described by a Hubbard model coupled to metallic wires. The numerical procedure is checked recovering well-known results for an…
This note considers how hydrodynamic interactions between a pair of rods slow the motion of each rod. Rods are approximated as being nearly straight lines of pointlike beads. Hydrodynamic interactions between the beads are treated with…
Integral equation of pure liquids, combined with a new "scaling approximation" based on a corresponding states treatment of pair correlation functions, is used to evaluate approximate structure factors for colloidal fluids constituted of…
The implications of soft `patchy' interactions on the orientational disorder-order transition of strongly elongated colloidal rods and flat disks is studied within a simple Onsager-van der Waals density functional theory. The theory…
Fundamental antenna limits of the gain-bandwidth product are derived from polarizability calculations. This electrostatic technique has significant value in many antenna evaluations. Polarizability is not available in closed form for most…