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A model for studying the ultrametricity of the energy landscape in a disordered heteropolymer is presented. It is treated as a simplified model of a protein molecule in which amino acid residues are modeled as point masses. Pairwise…
We focus on finding a coarse grained description able to reproduce the thermodynamic behavior of a molecular system by using mesoparticles representing several molecules. Interactions between mesoparticles are modelled by an interparticle…
We investigate the extended Hubbard model as an approximation to the local and spatial entanglement of a one-dimensional chain of nanostructures where the particles interact via a long range interaction represented by a `soft' Coulomb…
In this work, we question the generally accepted statement that the character of intermolecular interactions can be directly determined from the scaling exponent. Based on detailed studies of polyatomic molecular systems with precisely…
We study the mechanical contact between a deformable body with a wavy surface and a rigid flat taking into account pressurized fluid trapped in the interface. A finite element model is formulated for a general problem of trapped fluid for…
Engineering wear models are generally empirical and lack connections to the physical processes of debris generation at the nanoscale to microscale. Here, we thus analyze wear particle formation for sliding interfaces in dry contact with…
In this paper, we consider a contact problem with adhesion between a viscoelastic body and a rigid support, taking thermal effects into account. The PDE system we deal with is derived within the modelling approach proposed by M. Fremond…
In this paper we analyze a new temperature-dependent model for adhesive contact that encompasses nonlocal adhesive forces and damage effects, as well as nonlocal heat flux contributions on the contact surface. The related PDE system…
To investigate order-order interfaces, we perform multimagnetical Monte Carlo simulations of the $2D$ and $3D$ Ising model. Following Binder we extract the interfacial free energy from the infinite volume limit of the magnetic probability…
Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open…
Small oscillations of an elastic system of point masses (particles) with a nonlocal interaction are considered. We study the asymptotic behavior of the system, when number of particles tends to infinity, and the distances between them and…
We extend the incremental potential contact (IPC) model for contacting elastodynamics to resolve systems composed of codimensional DOFs in arbitrary combination. This enables a unified, interpenetration-free, robust, and stable simulation…
We propose a three dimensional mechanical model of embryonic tissue dynamics. Mechanically coupled adherent cells are represented as particles interconnected with elastic beams which can exert non-central forces and torques. Tissue…
Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. The hard spheres model has been indeed one of the cornerstones of the computational and theoretical description in…
Based on a microscopic density functional theory we calculate the internal structure of the three-phase contact line between liquid, vapor, and a confining wall as well as the morphology of liquid wetting films on a substrate exhibiting a…
Physical strands or sheets that can be modelled as curves or surfaces embedded in three dimensions are ubiquitous in nature, and are of fundamental importance in mathematics, physics, biology and engineering. Often the physical…
We calculate a collective number of thermodynamic quantities in a one-dimensional gas of hard elongated objects (such as needles) whose centers mobile on a line. Our formalism uses an approximation for the probabilities of contact between…
Using molecular dynamics simulation of a standard bead-spring model we investigate the density crossover scaling of strictly two-dimensional self-avoiding polymer chains focusing on properties related to the contact exponent set by the…
One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…
Non-prehensile manipulation such as pushing is typically subject to uncertain, non-smooth dynamics. However, modeling the uncertainty of the dynamics typically results in intractable belief dynamics, making data-efficient planning under…