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We examine how the distribution of contour lengths and the high-stretch stiffening of individual chain segments affect the macroscopic shear modulus of flexible polymer gels, using a 2D numerical model, in which polymer segments form a…
Wang [Phys. Rev. Lett. 103, 219801 (2009)] makes the following points about our Letter [Phys. Rev. Lett. 102, 067801 (2009), arXiv:0805.0679]: (1) He infers that, "contrary to its title, shear banding emerged from monotonic curves only if…
We describe a systematic approach to construct coarse-grained Markov state models from molecular dynamics data of systems driven into a non-equilibrium steady state. We apply this method to study the globule-stretch transition of a single…
The occurence of shear bands in a complex fluid is generally understood as resulting from a structural evolution of the material under shear, which leads (from a theoretical perspective) to a non-monotonic stationnary flow curve related to…
Rheological properties, especially 'shear-thinning', of dense colloidal dispersions are discussed on three different levels. A generalized phenomonological Maxwell model gives a broad framework connecting glassy dynamics to the linear and…
The nonlinear rheological properties of dense suspensions are discussed within simplified models, suggested by a recent first principles approach to the model of Brownian particles in a constant-velocity-gradient solvent flow. Shear…
Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…
Yield stress fluids display a rich rheological phenomenology. Beyond the defining existence of a yield stress in the steady state flow curve, this includes in many materials rather flat viscoelastic spectra over many decades of frequency in…
In frameworks of the scaling theory of phase transitions and critical phenomena the quantitative dependence of macroscopic properties on nanostructural parameters in a polymeric material is revealed. The draw ratios at neck and at break are…
The Rouse model can be regarded as the standard model to describe the dynamics of a short polymer chain under melt conditions. In this contribution, we explicitly check one of the fundamental assumptions of this model, namely that of a…
The rheology of molecular brushes remains challenging to control due to the multiple length scales and relaxation processes involved and the lack of direct observation of molecular conformation during flow. We use molecular dynamics…
We investigate spatio-temporal structures in sheared polymer systems by solving a time-dependent Ginzburg-Landau model in two dimensions. (i) In polymer solutions above the coexistence curve, crossover from linear to nonlinear regimes…
In systems such as block copolymer mesophases or physical gels formed by associating copolymers, the dynamical properties are often controlled by the extraction/association of a sticking group. We propose a description of the…
We present a methodology that extends invariant manifold theory to a class of autonomous piecewise linear systems with nonsmoothness at the equilibrium, providing a framework for model order reduction in mechanical structures with compliant…
Stress relaxation following deformation of an entangled polymeric liquid is thought to be affected by transient reforming of chain entanglements. In this work, we use single molecule techniques to study the relaxation of individual polymers…
We investigate mutual local chain order in systems of fully flexible polymer melts in a simple generic bead-spring model. The excluded-volume interaction together with the connectivity leads to local ordering effects which are independent…
Machine learning approaches informed by physics have offered new insights into the discovery of constitutive models from data, helping overcome some limitations of traditional constitutive modelling while reducing the cost of otherwise…
We study model near-critical polymer gelling systems made of gluten proteins dispersions stabilized at different distances from the gel point. We impose different shear rates and follow the time evolution of the stress. For sufficiently…
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…
We study the relaxation dynamics of a coarse-grained polymer chain at different degrees of stretching by both analytical means and numerical simulations. The macromolecule is modelled as a string of beads, connected by anharmonic springs,…