Related papers: A novel section-section potential for short-range …
We consider van der Waals interactions between in-plane fibers, where the computational model employs the Lennard-Jones potential and the coarse-grained approach. The involved 6D integral over two interacting fibers is split into a 4D…
We consider potential-based interactions between beams (or fibers) and shells (or membranes) using a coarse-grained approach with focus on van der Waals attraction and steric repulsion. The involved 6D integral over volumes of a beam and a…
This contribution proposes the first 3D beam-to-beam interaction model for molecular interactions between curved slender fibers undergoing large deformations. While the general model is not restricted to a specific beam formulation, in the…
The analysis of complex fibrous systems or materials on the micro- and nanoscale, which have a high practical relevance for many technical or biological systems, requires accurate analytical descriptions of the adhesive and repulsive forces…
This article proposes a novel computational modeling approach for short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations, and gives a detailed overview how it fits into the framework of existing…
The objective of this work is the development of a novel finite element formulation describing the contact interaction of slender beams in complex 3D configurations involving arbitrary beam-to-beam orientations. It is shown in a…
The present contribution proposes a universal framework to formulate generalized section-section interaction potentials (SSIP) within the geometrically exact beam theory. By exploiting the fundamental kinematic assumption of undeformable…
This work presents a concise theoretical and computational framework for the finite element formulation of frictional contact problems with arbitrarily large deformation and sliding. The aim of this work is to extend the contact theory…
We show that dressing polar molecules with a far-off-resonant optical field leads to new types of intermolecular potentials, which undergo a crossover from the inverse-power to oscillating behavior depending on the intermolecular distance,…
Simulating soft matter systems such as the cytoskeleton can enable deep understanding of experimentally observed phenomena. One challenge of modeling such systems is realistic description of the steric repulsion between nearby polymers.…
Numerous non-standard dynamics are described by contact-like effective interactions that can manifest themselves through deviations of the cross sections from the Standard Model predictions. If one such deviation were observed, one should…
The present work attempts to present a consistent and efficient approach to piezoelectric laminated beams. The influence of hypotheses on three-dimensional sectional deformations and stress distributions on the estimate of the beam…
We have proposed an efficient parameterization method for a recent variant of the Gay-Berne potential for dissimilar and biaxial particles and demonstrated it for a set of small organic molecules. Compared to the previously proposed…
This paper introduces a modeling framework that is suitable to resolve singularities of impact phenomena encountered in applications. The method involves an exact transformation that turns the continuum, often partial differential equation…
We investigate disruptive collisions of aggregates comprised of particles with different interaction potentials. We study Lennard-Jones (L-J), Tersoff, modified L-J potential and the one associated with Johnson-Kendall-Roberts (JKR) model.…
We consider low energy threshold reactive collisions of particles interacting via a van der Waals potential at long range in the presence of external confinement and give analytic formulas for the confinement modified scattering in such…
We introduce two improvements in the numerical scheme to simulate collision and slow shearing of irregular particles. First, we propose an alternative approach based on simple relations to compute the frictional contact forces. The approach…
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by a single range parameter, eliminating the need to decide…
We study equations for the mechanical movement of chains of identical particles in the plane interacting with their nearest-neighbors by bond stretching and by van der Waals and Coulomb forces. We find collinear and circular equilibria as…
The paper deals with the analytical integration of interaction potentials between specific geometries such as disks, cylinders, rectangles, and rectangular prisms. Interaction potentials are modeled as inverse-power laws with respect to the…