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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 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…

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…

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…

Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…

We derive a novel formulation for the interaction potential between deformable fibers due to short-range fields arising from intermolecular forces. The formulation improves the existing section-section interaction potential law for in-plane…

When the effects of relative motion at the solid object interfaces are not negligible, the contact method is required in the smoothed particle hydrodynamics (SPH) method to prevent virtual shear and tensile stresses. However, there is still…

Existing beam contact formulations can be categorized in point contact models that consider a discrete contact force at the closest point of the beams, and line contact models that assume distributed contact forces. In this work, it will be…

Current methods for investigation of receptor - ligand interactions in drug discovery are based on three-dimensional complementarity of receptor and ligand surfaces, and they include pharmacophore modelling, QSAR, molecular docking etc.…

This article presents a novel computational model to study the selective filtering of biological hydrogels due to the surface charge and size of diffusing particles. It is the first model that includes the random 3D fiber orientation and…

Fiber-integrated micro-optical elements promise a scalable approach to photon collection and beam shaping for quantum information processing. Here, we demonstrate single-step fabrication of micro-spherical, micro-spiral, and micro-axicon…

The problem of simulating solid-state dewetting of thin films in three dimensions (3D) by using a sharp-interface approach is considered in this paper. Based on the thermodynamic variation, a speed method is used for calculating the first…

We investigate effective interactions between a colloidal particle, immersed in a binary mixture of smaller spheres, and a semipermeable membrane. The colloid is modeled as a big hard sphere and the membrane is represented as an infinitely…

Additive manufacturing is an expanding multidisciplinary field encompassing applications including medical devices, aerospace components, microfabrication strategies, and artificial organs. Among additive manufacturing approaches,…

This work introduces a contact interaction methodology for an unbiased treatment of contacting surfaces without assigning surfaces as master and slave. The contact tractions between interacting discrete segments are evaluated with respect…

Parallel implementation of numerical adaptive mesh refinement (AMR)strategies for solving 3D elastostatic contact mechanics problems is an essential step toward complex simulations that exceed current performance levels. This paper…

Future searches for new physics beyond the Standard Model are without doubt in need of a diverse approach and experiments with complementary sensitivities to different types of classes of models. One of the directions that should be…

Evaluating accessible conformational space is computationally expensive and thermal motions are partly neglected in computer models of molecular interactions. This produces error into the estimates of binding strength. We introduce a method…

Elastic filaments are vital to biological, physical and engineering systems, from cilia driving fluid in the lungs to artificial swimmers and micro-robotics. Simulating slender structures requires intricate balance of elastic, body, active,…