Related papers: Modeling elastic properties of polystyrene through…
We investigate the mechanical properties of $\pi$-conjugated polymeric materials composed of regioregular poly(3-hexylthiophene) (P3HT) and fullerene C$_{60}$ using coarse-grained molecular dynamics simulations. Specifically, we perform…
Thermoplastic starch (TPS) is an excellent film-forming material, and adding fillers such as tetramethylammonium-montmorillonite (TMA-MMT) clay has significantly expanded its use in packaging applications. We first used all-atom (AA)…
The partitioning of small molecules in cell membranes---a key parameter for pharmaceutical applications---typically relies on experimentally-available bulk partitioning coefficients. Computer simulations provide a structural resolution of…
Cellular elastomeric metamaterials are interesting for various applications, e.g. soft robotics, as they may exhibit multiple microstructural pattern transformations, each with its characteristic mechanical behavior. Numerical literature…
We consider the inverse problem of finding unknown elastic parameters from internal measurements of displacement fields for tissues. The measurements are made on the entirety of a smooth domain. Since tissues can be modeled as…
The mechanical behaviour of solid biological tissues has long been described using models based on classical continuum mechanics. However, the classical continuum theories of elasticity and viscoelasticity cannot easily capture the…
Amongst the various fascinating types of material behavior featured by magnetic gels and elastomers are magnetostrictive effects. That is, deformations in shape or changes in volume are induced from outside by external magnetic fields.…
The purpose of this study is to inspect the combined effect of reinforcement shape and packing on the macroscopic behaviour of particulate composites. The introduced micromechanical approach modifies the Morphologically Representative…
We present a detailed derivation and testing of our approach to rescale the dynamics of mesoscale simulations of coarse-grained polymer melts (I. Y. Lyubimov et al. J. Chem. Phys. \textbf{132}, 11876, 2010). Starting from the…
Living tissues show an extraordinary adaptiveness to strain, which is crucial for their proper biological functioning. The physical origin of this mechanical behaviour has been widely investigated using reconstituted networks of collagen…
Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unavailable to experiments. We present a workflow protocol for…
This work focuses on the thermodynamics of pseudo-elastic models which represent the Mullins effect. Two established models are analyzed theoretically, their thermomechanical properties are derived, and certain critical points are…
Nonequilibrium molecular dynamics simulations are used to study the shear thinning behavior of immiscible symmetric polymer blends. The phase separated polymers are subjected to a simple shear flow imposed by moving a wall parallel to the…
We explore the possibility of describing the main transport properties of a granular gas by means of a model consisting of elastic hard spheres under the action of a drag force that mimics the inelastic cooling of the granular gas. Direct…
An approach to the mechanical behaviour of textile composites at the scale of their constituting fibres, using an implicit finite element simulation code, is proposed in this chapter. The approach is based on efficient methods and…
The effects of a driven fast-oscillating spinneret on the bending instability of electrified jets, leading to the formation of spiral structures in electrospinning experiments with charged polymers, are explored by means of extensive…
Dynamic bonding is an essential feature of many soft materials. Molecular simulations have proven to be a powerful tool for modeling bonding kinetics and thermodynamics in these materials, providing insights into their properties that…
All-atom molecular dynamics simulations of an elastohydrodynamic lubrication oil film are performed to study the effect of pressure. Fluid molecules of n-hexane are confined between two solid plates under a constant normal force of 0.1--8.0…
We build a minimal, mean-field, model of plasticity of amorphous solids, based upon a phenomenology of dissipative events derived, in a preceding paper [A. Lemaitre, C. Caroli, arXiv:0705.0823] from extensive molecular simulations. It…
We present the comparative experimental analysis of frequency dependencies of linear (Lam\'e) and nonlinear (Murnaghan) elastic moduli of polystyrene, PMMA and polycarbonate. The measurement methodology, based on the acousto-elastic effect,…