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Amorphous polymers are considered promising materials for separations due to their excellent transport properties and low fabrication costs. The separation performance of a membrane material is characterized by its permeability (overall…
We present a theoretical method for deriving the stress tensor and elastic response of ordered systems within a Ginzburg-Landau type density field theory in the linear regime. This is based on spatially coarse graining the microscopic…
Recent years have witnessed the development of so-called relaxation tribometers, the free oscillation of which is altered by the presence of frictional stresses within the contact. So far, analysis of such oscillations has been restricted…
We develop a new elementary move for simulations of polymer chains in torsion angle space. The method is flexible and easy to implement. Tentative updates are drawn from a (conformation-dependent) Gaussian distribution that favors…
In this paper we present simulations of a surface-adsorbed polymer subject to an elongation force. The polymer is modelled by a self-avoiding walk on a regular lattice. It is confined to a half-space by an adsorbing surface with attractions…
Based on the variational field theory framework, we extend our previous mean-field formalism, taking into account the electrostatic correlations of the ions. We employ a general covariant approach and derive a total stress tensor that…
We present a new method for the approximate solution of the strongly coupled, nonlinear stress-diffusion problem that appears when modeling hydrogen transport in metals. The most salient feature of the proposed approximation is that it is…
Very soft grain assemblies have unique shape-changing capabilities that allow them to be compressed far beyond the rigid jammed state by filling void spaces more effectively. However, accurately following the formation of these systems by…
Many living and physical systems such as cell aggregates, tissues or bacterial colonies behave as unconventional systems of particles that are strongly constrained by volume exclusion and shape interactions. Understanding how these…
We use thermodynamic perturbation theory to calculate the free energies and resulting phase diagrams of binary systems of spherical colloidal particles and interacting polymer coils in good solvent within an effective one-component…
We propose a new method for the determination of the weight factor for the simulated tempering method. In this method a short replica-exchange simulation is performed and the simulated tempering weight factor is obtained by the…
Thin bilayers made of elastic sheets with different strain recoveries can be used for dynamic shape morphing through ambient stimuli, such as temperature, mass diffusion, and light. As a fundamentally different approach to designing…
In this paper we formulate a geometric theory of thermal stresses. Given a temperature distribution, we associate a Riemannian material manifold to the body, with a metric that explicitly depends on the temperature distribution. A change of…
We propose new polymer models for Monte Carlo simulation and apply them to a polymer chain confined in a relatively thin box which has both curved and flat sides, and show that either an ideal or an excluded-volume chain spends more time in…
Molecular dynamics simulations are increasingly being used to investigate the structural evolution of polymers during mechanical deformation, but relatively few studies focus on the influence of boundary conditions on this evolution, in…
A recent theory for stress transmission in isostatic granular and cellular systems predicts a constitutive equation that couples the stress field to the local microstructure. The theory could not be applied to macroscopic systems because…
This paper presents an angle-based approach for distributed formation shape stabilization of multi-agent systems in the plane. We develop an angle rigidity theory to study whether a planar framework can be determined by angles between…
Recent developments in imaging techniques and correlation algorithms enable measurement of strain fields on a deforming material at high spatial and temporal resolution. In such cases, the computation of the stress field from the known…
This study focuses on comparing the individual polymer chain dynamics in an entangled polymeric liquid under different shear and extension rates. Polymer chains under various shear rates and extension rates were simulated using a…
An algorithm of particle-in-cell simulations is described and tested to aid further the actual design of simple vircators working on axially symmetric modes. The methods of correction of the numerical solution, have been chosen and jointly…