Related papers: PBPU Elastomer Network Architecture Determination …
In the present work, four series of simulations are analyzed: entangled model networks of a) mono-disperse or b) poly-disperse weight distribution between the crosslinks, c) non-entangled phantom model networks and d) non-entangled model…
We numerically examine the nonlinear rubber elasticity of topologically constrained polymer networks. We propose a simple and effective model based on Graessley and Pearson's topological model (GP model) for describing the topological…
The relationship between the topological architecture of polymer networks and their macroscopic rupture remains a fundamental challenge in polymer physics. Recent coarse-grained simulations have revealed that the dependence of stretch at…
Polymer entanglements lead to complicated topological constraints and interactions between neighbouring chains in a dense solution or melt. Entanglements can be treated in a mean field approach, within the famous reptation model, since they…
The non-linear stress-strain relation for crosslinked polymer networks is studied using molecular dynamics simulations. Previously we demonstrated the importance of trapped entanglements in determining the elastic and relaxational…
We study the mechanical and conformational properties of networks of helical polymers with a combination of Monte Carlo simulations based on the Wang-Landau algorithm and the Three-chain Model. We find that the stress-strain behavior of…
Elastomers are used in a wide range of applications because of their large strain to failure, low density, and tailorable stiffness and toughness. The mechanical behavior of elastomers derives mainly from the entropic elasticity of the…
Here we report the linear viscoelastic properties of amorphous poly(tetramethylene oxide) (PTMO), which is one of the key components in synthesizing segmented polyurethane (PU) elastomers. The temperature and molecular weight dependent…
The two approaches to analyzing the large strain behavior of rubbery networks are phenomenologically, using strain energy functions drawn from continuum mechanics, and molecular models, which apply statistical mechanics to compute the…
The transport of solvent molecules through soft, swollen networks is critical in both natural and engineered systems. While this poroelastic flow has traditionally been explored in networks where the mesh size is comparable to the solvent…
We employ a mathematical model to analyze stress chains in thermoplastic elastomers (TPEs) with a microphase-separated spherical structure composed of triblock copolymers. The model represents stress chains during uniaxial and biaxial…
An assumption in micromechanical analysis of polymers is that the constitutive polymeric media is non-porous. Non-porosity of media, however, is merely a simplifying assumption. In this paper, we neglect this assumption and studied polymer…
Polymerization and formation of crosslinked polymer networks are important processes in manufacturing, materials fabrication, and in the case of hydrated polymer networks, synthesis of biomedical materials, drug delivery, and tissue…
The structure of polymer networks, defined by chain lengths and connectivity patterns, fundamentally influences their bulk properties. While existing polymer network models connect chain properties to emergent network behavior, they are…
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…
The effect of topology on the collapse transition and instantaneous shape of an energy polydisperse polymer (a model heteropolymer) is studied by means of computer simulations. In particular, we consider three different chain topology,…
The elastic modulus $G$ of a polymer network depends notably on parameters such as the initial concentration of the monomers before the synthesis ($\rho_0$), the density of the cross-linker, or the topology of the network. Understanding how…
Polymer network models construct the constitutive relationships of a broader polymer network from the behavior of a single polymer chain (e.g. viscoelastic response to applied forces, applied electromagnetic fields, etc.). Network models…
We perform equilibrium Langevin dynamics simulations to understand the structure-viscoelasticity relationship of a dually crosslinked reversible polymer network. The cross-linking is achieved by introducing orthogonal crosslinkers (A and B)…
Predicting the macroscopic mechanical behavior of polymeric materials from the micro-structural features has remained a challenge for decades. Existing theoretical models often fail to accurately capture the experimental data, due to…