Related papers: Network approach towards understanding the crazing…
The dynamics of a single chain tethered to an interface and in contact with a cross-linked network is examined numerically. When the network is put in contact with the tethered chain, the chain moves with dynamics that are highly…
We use the recently introduced small-world networks (SWN) to model cross-linked polymers, as an extension of the linear Rouse-chain. We study the SWN-dynamics under the influence of external forces. Our focus is on the structurally and…
Deep convolutional networks have witnessed unprecedented success in various machine learning applications. Formal understanding on what makes these networks so successful is gradually unfolding, but for the most part there are still…
Using the theory of elasticity of polymer gels we show that large-scale cross-link density patterns written into the structure of the network in the melt state, can be revealed upon swelling by monitoring the monomer density patterns. We…
The flow and deformation of macromolecules is ubiquitous in nature and industry, and an understanding of this phenomenon at both macroscopic and microscopic length scales is of fundamental and practical importance. Here we present the…
We propose a coarse-grained model for polymer chains and polymer networks based on the meso-scale dynamics. The model takes the internal degrees of freedom of the constituent polymer chains into account using memory functions and colored…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
Biopolymer Networks play an important role in coordinating and regulating collective cellular dynamics via a number of signaling pathways. Here, we investigate the mechanical response of a model biopolymer network due to the active…
Using a coarse-grained bead-spring model for semi-flexible macromolecules forming a polymer brush, structure and dynamics of the polymers is investigated, varying chain stiffness and grafting density. The anchoring condition for the grafted…
Many research fields, reaching from social networks and epidemiology to biology and physics, have experienced great advance from recent developments in random graphs and network theory. In this paper we propose to view percolation on a…
Current theories on the conformation and dynamics of unknotted and non-concatenated ring polymers in melt conditions describe each ring as a tree-like double-folded object. While evidence from simulations supports this picture on a single…
The function of a real network depends not only on the reliability of its own components, but is affected also by the simultaneous operation of other real networks coupled with it. Robustness of systems composed of interdependent network…
We study the friction between a flat solid surface where polymer chains have been end-grafted and a cross-linked elastomer at low sliding velocity. The contribution of isolated grafted chains' penetration in the sliding elastomer has been…
We evaluate the van der Waals (vdW) interaction energy at zero temperature between two undoped strained graphene layers separated by a finite distance. We consider the following three models for the anisotropic case: (a) where one of the…
Using molecular dynamics simulations, we investigate the aggregation behavior of neutral stiff (rod-like) and flexible polymer chains mediated by attractive crowders. Attractive crowders serve as bridging agents, inducing aggregation…
Recurrence networks are powerful tools used effectively in the nonlinear analysis of time series data. The analysis in this context is done mostly with unweighted and undirected complex networks constructed with specific criteria from the…
In some recent experiments on entangled polymers of stress growth in startup of fast shear flows an undershoot in the shear stress is observed following the overshoot, i.e., before approaching the steady state. Whereas tumbling of the…
Networks (or graphs) are used to model the dyadic relations between entities in a complex system. In cases where there exists multiple relations between the entities, the complex system can be represented as a multilayer network, where the…
Accurate, yet computationally efficient energy functions are essential for state-of-the art molecular dynamics (MD) studies of condensed phase systems. Here, a generic workflow based on a combination of machine learning-based and empirical…
A novel field theoretical approach towards modelling dynamic networking in complex systems is presented. An equilibrium networking formalism which utilises Gaussian fields is adapted to model the dynamics of particles that can bind and…