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In composite materials composed of soft polymer matrix and stiff, high-aspect-ratio particles, the composite undergoes a transition in mechanical strength when the inclusion phase surpasses a critical density. This phenomenon (rheological…
We present a new approach for the mechanically consistent modelling and simulation of fluid-structure interactions with contact. The fundamental idea consists of combining a relaxed contact formulation with the modelling of seepage through…
Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…
We recently proposed a nonlocal form for the 3-body induced interaction that is consistent with the Fock space representation of interaction operators but leads to a fractional power dependence on the density. Here we examine the…
Barrier potentials gained popularity as a means for robust contact handling in physical modeling and for modeling self-avoiding shapes. The key to the success of these approaches is adherence to geometric constraints, i.e., avoiding…
In protein folding the term plasticity refers to the number of alternative folding pathways encountered in response to free energy perturbations such as those induced by mutation. Here we explore the relation between folding plasticity and…
The impact of impenetrable obstacles on the energetics and equilibrium structure of strongly repulsive directed polymers is investigated. As a result of the strong interactions, regions of severe polymer depletion and excess are found in…
This work is focused on the analysis of the corrective effects of the temperature, surface tension, and nuclear matter density on the fusion barriers and also fusion cross sections caused by the original version of the proximity formalism…
A statistical mechanical distance constraint model (DCM) is presented that explicitly accounts for network rigidity among constraints present within a system. Constraints are characterized by local microscopic free energy functions.…
This work presents a comprehensive three-dimensional third-medium contact framework for modeling complex contact interactions in hyperelastic solids and pneumatically actuated systems. The proposed third-medium formulation embeds a…
We derive exact density functionals for systems of hard rods with first-neighbor interactions of arbitrary shape but limited range on a one-dimensional lattice. The size of all rods is the same integer unit of the lattice constant. The…
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…
In this paper we review the simulation method of the non-smooth contact dynamics. This technique was designed to solve the unilateral and frictional contact problem for a large number of rigid bodies and has proved to be especially valuable…
A model of a device is proposed and related theoretical calculation is performed to study the weak interactions among neutral atoms and molecules. In this model 3-body collisions among the neutral particles occur repeatedly in a trap.…
Parameterized tight-binding models fit to first principles calculations can provide an efficient and accurate quantum mechanical method for predicting properties of molecules and solids. However, well-tested parameter sets are generally…
The interfacial structure formed in thermoreversible associating polymer solutions is studied within the density functional approach based on Flory's arguments of tree-like configurations of cluster associations. The unique characteristics…
We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical…
We have employed a numerical procedure to analyze the adhesive contact between a soft elastic layer and a rough rigid substrate. The solution of the problem is obtained by calculating the Green's function which links the pressure…
Employing nonparametric methods for density estimation has become routine in Bayesian statistical practice. Models based on discrete nonparametric priors such as Dirichlet Process Mixture (DPM) models are very attractive choices due to…
In this paper, we study an interaction problem between a $3D$ compressible viscous fluid and a $3D$ nonlinear viscoelastic solid fully immersed in the fluid, coupled together on the interface surface. The solid is allowed to have…