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Thermally actuated twisted and coiled polymer (TCP) artificial muscles exhibit exceptional specific work capacities but are limited by an inherent competition between load-bearing capacity and actuation stroke. To address this limitation,…
Using molecular dynamics simulations, we determine the linear and nonlinear viscoelastic properties of a model polymer melt in the unentangled regime. Several approaches are compared for the computation of linear moduli, including…
We report evidence of irregular unsteady flow of two-dimensional polymer solutions in the absence of inertia in cross-slot geometry using numerical simulations of Oldroyd-B model. By exploring the transition to time-dependent flow versus…
In this study we have investigated into the entanglement effect and crosslinking effect in long-chain SBR rubber polymer system to model the mechanical hyperelastic behavior. The discussed methodologies are developed by a dissipative…
The effects of thermal elastic fluctuations in rubber materials are examined. It is shown that, due to an interplay with the incompressibility constraint, these fluctuations qualitatively modify the large-deformation stress-strain relation,…
At elevated temperature environments, elastic structures experience a change of the stress-free state of the body that can strongly influence the optimal topology of the structure. This work presents level-set based topology optimization of…
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…
Evaluating accessible conformational space is computationally expensive and thermal motions are partly neglected in computer models of molecular interactions. This produces error into the estimates of binding strength. We introduce a method…
For various polymers with different topological structures we numerically evaluate the mean-square radius of gyration and the hydrodynamic radius systematically through simulation. We call polymers with nontrivial topology topological…
Recently the materials possessing structure of molecular and supramolecular matrix are more and more actively studied. They are relative to many polymeric materials of a technological origin, such as rubber, and living biological tissues.…
In this third and final paper of a series, elastic properties of numerically simulated isotropic packings of spherical beads assembled by different procedures and subjected to a varying confining pressure P are investigated. In addition P,…
Rotating the clamped ends of a buckled elastica induces a snap-through instability. Predicting the limit point and determining the equilibria at the start and end of the snap are routine computations in the quasi-static setting. The…
Filamentous polymer networks govern the mechanical properties of many biological materials. Force distributions within these networks are typically highly inhomogeneous and, although the importance of force distributions for structural…
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,…
The interplay between cytoskeletal architecture and the nonlinearity of the interactions due to bucklable filaments plays a key role in modulating the cell's mechanical stability and affecting its structural rearrangements. We study a model…
In non-linear incompatible elasticity, the configurations are maps from a non-Euclidean body manifold into the ambient Euclidean space, $\mathbb{R}^k$. We prove the $\Gamma$-convergence of elastic energies for configurations of a converging…
The field of optimal design of linear elastic structures has seen many exciting successes that resulted in new architected materials and structural designs. With the availability of cloud computing, including high-performance computing,…
Quasistatic simple shearing flow of random monodisperse soap froth is investigated by analyzing Surface Evolver simulations of spatially periodic foams. Elastic-plastic behavior is caused by irreversible topological rearrangements (T1s)…
We present a data-driven framework for the multiscale modeling of anisotropic finite strain elasticity based on physics-augmented neural networks (PANNs). Our approach allows the efficient simulation of materials with complex underlying…
Twisted bilayer graphene (TBG) has drawn significant interest due to recent experiments which show that TBG can exhibit strongly correlated behavior such as the superconducting and correlated insulator phases. Much of the theoretical work…