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The coupled discrete linear and Kerr nonlinear Schrodinger equations with gain and loss describing transport on dimers with parity-time PT symmetric potentials are considered. The model is relevant among others to experiments in optical…
We generalize and apply a microscopic force-level statistical mechanical theory of the activated dynamics of dilute spherical penetrants in glass-forming liquids to study the influence of permanent crosslinking in polymer networks on the…
The scattering function and radius of gyration of an ideal polymer network are calculated depending on the strength of the bonds that form the crosslinks. Our calculations are based on an {\it exact} theorem for the characteristic function…
We study the shearing of polydisperse and bidisperse media with a size ratio of 10. Simulations are performed with a the two dimensional shear cell using contact dynamics. With a truncated power law for the polydisperse media we find that…
This paper deals with simulation of flow and transport in porous media such as transport of groundwater contaminants. We first discuss how macro scale equations are derived and which terms have to be closed by models. The transport of…
We study the partitioning of cosolute particles in a thin film of a semi-flexible polymer network by a combination of coarse-grained (implicit-solvent) stochastic dynamics simulations and mean-field theory. We focus on a wide range of…
The spacial heterogeneity of hydrogels composed of PEGDA and added polymer chains is expected to play a crucial role on their transport properties which can be exploited in filtration or tissue engineering. However little is known about the…
Complexation of polymers at liquid interfaces is an emerging technique to produce all-liquid printable and self-healing devices and membranes. It is crucial to control the assembly process but the mechanisms at play remain unclear. Using…
We numerically study the dynamics and the phases of self-propelled disk-shaped particles of different sizes with soft repulsive potential in two dimensions. Size diversity is introduced by the polydispersity index (PDI) $\epsilon$, which is…
We performed extensive Monte Carlo simulations of the irreversible adsorption of polydispersed disks inside the cells of a patterned substrate. The model captures relevant features of the irreversible adsorption of spherical colloidal…
In this paper, a diffusion-based molecular communication channel is modeled in presence of a probabilistic absorber. The probabilistic absorber is an absorber which absorbs molecules upon collision with probability q. With random walk…
We developed analytical and numerical methods to study a transport of non-interacting particles in large networks consisting of M d-dimensional containers C_1,...,C_M with radii R_i linked together by tubes of length l_{ij} and radii a_{ij}…
Accurate prediction of permeability tensors from pore-scale microstructure images is essential for subsurface flow modeling, yet direct numerical simulation requires hours per sample, fundamentally limiting large-scale uncertainty…
Polydispersity is a universal feature of synthetic polymers and biological molecules in the cytoplasm. However, its quantitative impact on collective behavior remains poorly understood because conventional metrics, such as the…
Biological systems commonly combine intrinsically out-of-equilibrium active components with passive polymeric inclusions to produce unique material properties. To explore these composite systems, idealized models - such as polymers in…
In this paper a lattice model for diffusional transport of particles in the interphase cell nucleus is proposed. Dense networks of chromatin fibers are created by three different methods: randomly distributed, non-interconnected obstacles,…
Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…
Membranes are ubiquitous in nature with primary functions that include adaptive filtering and selective transport of chemical and molecular species. Being critical to cellular functions, they are also fundamental in many areas of science…
We show the impact that scalar structures deformation and mixing has on the fate of plumes of waterborne contaminant transported through a chemically heterogeneous, partially adsorbing porous medium. Via pore-scale simulations, we follow…
We perform Brownian dynamics simulations of active stiff polymers undergoing run-reverse dynamics, and so mimic bacterial swimming, in porous media. In accord with recent experiments of \emph{Escherichia coli}, the polymer dynamics are…