Related papers: Glassy polymers' strain-hardening moduli scale wit…
We investigate the shear elastic modulus of soft polymer foams loaded with hard spherical particles and we show that, for constant bubble size and gas volume fraction, strengthening is strongly dependent on the size of those inclusions.…
The Kremer-Grest (KG) polymer model is a standard model for studying generic polymer properties in Molecular Dynamics simulations. It owes its popularity to its simplicity and computational efficiency, rather than its ability to represent…
We consider an invariant random matrix model where the standard Gaussian potential is distorted by an additional single pole of order $m$. We compute the average or macroscopic spectral density in the limit of large matrix size, solving the…
We present a multiscale modeling approach that integrates molecular dynamics simulations, machine learning, and the Elastically Collective Nonlinear Langevin Equation (ECNLE) theory to investigate the glass transition dynamics of polymer…
A diffusion-deposition model for glassy dynamics in compacting granular systems is treated by time scaling and by a method that provides the exact asymptotic (long time) behavior. The results include Vogel-Fulcher dependence of rates on…
We introduce a class of models of semiflexible polymers. The latter are characterized by a strong rigidity, the correlation length associated to the gradient-gradient correlations, called the persistence length, being of the same order as…
We theoretically investigate glass transition behaviors of the glassy graphene in a wide range of temperature, where this amorphous graphene is described as a hard-sphere fluid. The dynamic arrest of a particle is assumingly caused by…
From strain rate- and temperature-dependent deformation studies on nanocrystalline PdAu alloys with grain sizes $\leq$ 10nm, the shear activation volume $6b^3$, strain rate sensitivity 0.03 as well as the Helmholtz 0.9eV and Gibbs free…
Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four…
In polymers melts and supercooled liquids, the glassy dynamics is characterized by the rattling of monomers or particles in the cage formed by their neighbors. Recently, a direct correlation in such systems, described by a universal scaling…
Glassy polymer melts such as the plastics used in pipes, structural materials, and medical devices are ubiquitous in daily life. They accumulate damage over time due to their use, which limits their functionalities and demands periodic…
We design and synthesize unentangled associative polymers carrying unprecedented high fractions of stickers, up to eight per Kuhn segment, that can form strong pairwise hydrogen bonding of $\sim20k_BT$ without microphase separation. The…
We combine computer simulations and analytical theory to investigate the glassy dynamics in dense assemblies of athermal particles evolving under the sole influence of self-propulsion. The simulations reveal that when the persistence time…
The effects of entanglement and chain orientation on strain hardening in glassy polymers are separated by examining mixtures of chains with different lengths. Simulations show that the orientation of a molecule of a given chain length is…
A simple and predictive model is put forward explaining the experimentally observed substantial shift of the glass transition temperature, Tg, of sufficiently thin polymer films. It focuses on the limit of small molecular weight, where…
The complexity of glasses makes it challenging to explain their dynamics. Machine Learning (ML) has emerged as a promising pathway for understanding glassy dynamics by linking their structural features to rearrangement dynamics. Support…
Bottle brushes are polymeric macromolecules made of a linear polymeric backbone grafted with side chains. The choice of the grafting density {\sigma}g, the length ns the grafted side chains and their chemical nature fully determines the…
Hydrogels have a distinct combination of mechanical and water-transport behaviors. As hydrogels stiffen, they become less permeable. Here, we combine semi-dilute polymer theory with the Kozeny-Carman equation to develop a simple scaling law…
Identifying heterogeneous structures in glasses --- such as localized soft spots --- and understanding structure-dynamics relations in these systems remain major scientific challenges. Here we derive an exact expression for the local…
We explore glassy dynamics of dense assemblies of soft particles that are self-propelled by active forces. These forces have a fixed amplitude and a propulsion direction that varies on a timescale tau_p, the persistence timescale. Numerical…