Related papers: Modeling hard-soft block copolymers as a liquid cr…
We present few ordering mechanisms in block copolymer melts in the coarse-graining approach. For chemically homogeneous or modulated confining surfaces, the surface ordering is investigated above and below the order-disorder temperature. In…
The progressive instability behaviour of compressed dry-stone rectangular pillars loaded with an eccentric load is assessed experimentally and compared with the theory. Photoelastic compression tests were designed and executed on…
Fracture involves interaction across large and small length scales. With the application of enough stress or strain to a brittle material, atomistic scale bonds will break, leading to fracture of the macroscopic specimen. From the…
The present contribution focuses on the thermodynamically consistent mechanical modeling of the strain-induced crystallization in unfilled polymers. This phenomenon is of particular importance for the mechanical properties of polymers as…
Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…
Past models of stress-strain response under cyclic loading mainly rely on macroscopic equations which consider microstructure evolution indirectly or simply discard microstructure information. Modern materials science, on the other hand,…
Growth of hard--rod monolayers via deposition is studied in a lattice model using rods with discrete orientations and in a continuum model with hard spherocylinders. The lattice model is treated with kinetic Monte Carlo simulations and…
The structure and mechanical properties of a simple two-dimensional model of a cohesive powder are investigated by molecular dynamics simulations. Micromechanical ingredients involve elasticity, friction, a short range attraction and,…
We explore the Mode I fracture toughness of a polymer gel containing a semi-infinite, growing crack. First, an expression is derived for the energy release rate within the linearized, small-strain setting. This expression reveals a crack…
The polymer dynamics of homogeneous C$_{60}$-polystyrene mixtures in the molten state are studied via molecular simulations using two interconnected levels of representation for polystyrene nanocomposites: (a) A coarse-grained…
We perform extensive numerical simulations of a paradigmatic model glass former, the hard-sphere fluid with 10% polydispersity. We sample from the ensemble of trajectories with fixed observation time, whereby single trajectories are…
Instability patterns of rolling up a sleeve appear more intricate than the ones of walking over a rug on floor, both characterized as uniaxially compressed soft-film/stiff-substrate systems. This can be explained by curvature effects. To…
Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems…
We study the phase behaviour of a binary mixture of colloidal hard spheres and freely-jointed chains of beads using Monte Carlo simulations. Recently Panagiotopoulos and coworkers predicted [Nat. Commun. 5, 4472 (2014)] that the hexagonal…
The close packing density of log-normal and bimodal distributed, surface-adsorbed particles or discs in 2D is studied by numerical simulation. For small spread in particle size, the system orders in a polycrystalline structure of hexagonal…
We introduce an entropic network model for copolymer elastomers based on the evolution of microscopic chain conformations during deformation. We show that the stress results from additive contributions due to chain stretch at the global as…
Forced granular matter in confined geometries presents phase transitions and coexistence. Depending on the system and forcing parameters, liquid-vapor and liquid-solid co-existing states are possible. For the solid-liquid coexistence that…
The behavior of polymers in combined flow and electric fields underlies many manufacturing processes but remains poorly understood. To address this, we model charged polymers across scales. We extend the original Rouse model for a…
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.…
Self-healing polymers crosslinked by solely reversible bonds are intrinsically weaker than common covalently crosslinked networks. Introducing covalent crosslinks into a reversible network would improve mechanical strength. It is…