Related papers: Phantom chain simulations for fracture of star pol…
Primitive chain network simulations for randomly cross-linked slip-link networks were performed. For the percolated networks, the stress-strain relationship was compared to the theories by Ball et al. [Polymer, 22, 1010 (1981)] and…
We examine the phase transition of polymer adsorption as well as the underlying kinetics of polymer binding from dilute solutions on a structureless solid surface. The emphasis is put on the properties of regular multiblock copolymers,…
We present analytic and numeric results for percolation in a network formed of interdependent spatially embedded networks. We show results for a treelike and a random regular network of networks each with $(i)$ unconstrained interdependent…
We use nonequilibrium molecular dynamics simulations to verify recent tube-model predictions that associative polymer networks exhibit broad stretch fluctuations during elongational flow. Simulations further show that these fluctuating…
Elastomers are modeled as networks with $\phi $-functional junctions containing $N$ ideal, $n$-segment, freely jointed chains (FJCs) per unit volume (p.u.v.). Our compact model of the exact FJC length probability density (Treloar, 1975),…
To design increasingly tough, resilient, and fatigue-resistant elastomers and hydrogels, the relationship between controllable network parameters at the molecular level to macroscopic quantities that govern damage and failure must be…
A phantom network of Gaussian chains far from the point of gelation can be described as a gas of interacting particles represented by the cross links. The type of particles varies with the network functionality, whereas the type of…
Computer simulation studies on the miscibility behavior and single chain properties in binary polymer blends are reviewed. We consider blends of various architectures in order to identify important architectural parameters on a coarse…
We consider the rupture dynamics of a homopolymer chain pulled at one end at a constant loading rate r. Compared to single bond breaking, the existence of the chain introduces two new aspects into rupture dynamics: the non-Markovian aspect…
We have developed different network approaches to analyze complex patterns of frictional interfaces (contact area developments). Network theory is a fundamental tool for the modern understanding of complex systems in which, by a simple…
Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While traditional entropic network models can be fit to the total stress, their underlying assumptions are inconsistent with simulation results.…
We present a new simulation technique to study systems of polymers functionalized by reactive sites that bind/unbind forming reversible linkages. Functionalized polymers feature self-assembly and responsive properties that are unmatched by…
We characterize the fluctuation properties of a polymer chain under external tension and the fluctuation-induced forces between two ring molecules threaded around the chain. The problem is relevant in the context of fluctuation-induced…
Through research conducted in this study, a network approach to the correlation patterns of void spaces in rough fractures (crack type II) was developed. We characterized friction networks with several networks characteristics. The…
The mechanical behavior of composite materials is significantly influenced by their structure and constituent materials. One emerging class of composite materials is irregular network reinforced composites (NRC's), whose reinforcing phase…
Phase separation within polymer networks plays a central role in shaping the structure and mechanics of both synthetic materials and living cells, including the formation of biomolecular condensates within cytoskeletal networks. Previous…
A fundamental theory is presented for the mechanical response of polymer networks undergoing large deformation which seamlessly integrates statistical mechanical principles with macroscopic thermodynamic constitutive theory. Our formulation…
In this thesis the formation and properties of a polymer gel on and at a surface are investigated. The gel under investigation is defined as a three-dimensional network of "phantom" macromolecules that form permanent links with one another…
Molecular dynamics simulation methods are used to study the folding of polymer chains into packed cubic states. The polymer model, based on a chain of linked sites moving in the continuum, includes both excluded volume and torsional…
Large-scale molecular simulations are performed to investigate tensile failure of polymer interfaces as a function of welding time $t$. Changes in the tensile stress, mode of failure and interfacial fracture energy $G_I$ are correlated to…