Superposition approach for description of electrical conductivity in sheared MWNT/polycarbonate melts

The theoretical description of electrical properties of polymer melts, filled with attractively interacting conductive particles, represents a great challenge. Such filler particles tend to build a network-like structure which is very fragile and can be easily broken in a shear flow with shear rates of about 1 s–1. In this study, measured shear-induced changes in electrical conductivity of polymer composites are described using a superposition approach, in which the filler particles are separated into a highly conductive percolating and low conductive non-percolating phases. The latter is represented by separated well-dispersed filler particles. It is assumed that these phases determine the effective electrical properties of composites through a type of mixing rule involving the phase volume fractions. The conductivity of the percolating phase is described with the help of classical percolation theory, while the conductivity of non-percolating phase is given by the matrix conductivity enhanced by the presence of separate filler particles. The percolation theory is coupled with a kinetic equation for a scalar structural parameter which describes the current state of filler network under particular flow conditions. The superposition approach is applied to transient shear experiments carried out on polycarbonate composites filled with multi-wall carbon nanotubes

Photo-induced deformations in azobenzene-containing side-chain polymers: molecular dynamics study

We perform molecular dynamics simulations of azobenzene containing side-chain liquid crystalline polymer subject to an external model field that mimicks the reorientations of the azobenzenes upon irradiation with polarized light. The smectic phase of the polymer is studied with the field applied parallel to the nematic director, forcing the trans isomers to reorient perpendicularly to the field (the direction of which can be assosiated with the light polarization). The coupling between the reorientation of azobenzenes and mechanical deformation of the sample is found to depend on the field strength. In a weak field the original smectic order is melted gradually with no apparent change in the simulation box shape, whereas in a strong field two regimes are observed. During the first one a rapid melting of the liquid crystalline order is accompanied by the contraction of the polymer along the field direction (the effect similar to the one observed experimentally in azobenzene containing elastomers). During the slower second regime, the smectic layers are rebuilt to accomodate the preferential direction of chromophores perperdicular to the field

Local chain deformation and overstrain in reinforced elastomers: An NMR study

A molecular-level understanding of the strain response of elastomers is a key to connect microscopic dynamics to macroscopic properties. In this study we investigate the local strain response of vulcanized, natural rubber systems and the effect of nanometer-sized filler particles, which are known to lead to highly improved mechanical properties. A multiple-quantum NMR approach enables the separation of relatively low fractions of network defects and allows to quantitatively and selectively study the local deformation distribution in the strained networks matrix on the microscopic (molecular) scale. We find that the presence of nondeformable filler particles induces an enhanced local deformation of the matrix (commonly referred to as overstrain), a slightly increased local stress/strain heterogeneity, and a reduced anisotropy. Furthermore, a careful analysis of the small nonelastic defect fraction provides new evidence that previous NMR and scattering results of strained defect-rich elastomers cannot be interpreted without explicitly taking the nonelastic defect fraction into account

Anisotropic generalization of Stinchcombe's solution for conductivity of random resistor network on a Bethe lattice

Our study is based on the work of Stinchcombe [1974 \emph{J. Phys. C} \textbf{7} 179] and is devoted to the calculations of average conductivity of random resistor networks placed on an anisotropic Bethe lattice. The structure of the Bethe lattice is assumed to represent the normal directions of the regular lattice. We calculate the anisotropic conductivity as an expansion in powers of inverse coordination number of the Bethe lattice. The expansion terms retained deliver an accurate approximation of the conductivity at resistor concentrations above the percolation threshold. We make a comparison of our analytical results with those of Bernasconi [1974 \emph{Phys. Rev. B} \textbf{9} 4575] for the regular lattice.Comment: 14 pages, 2 figure

Anomalous shear viscosity-temperature behaviour of jojoba oil/LDH-stearate suspensions

Stearate intercalated layered double hydroxide was synthesized by reacting the corresponding carbonate form with a large excess of stearic acid. Thermal analysis, FTIR, XRD and SEMEDS characterization indicated the formation of a highly crystalline bilayer-intercalated product. The composition of the inorganic portion showed high variability in the Al:Mg atom ratio. This suggests that the crystals comprised stacks of randomly interstratified layers that varied in compositions from one close to magnesium stearate to one similar to aluminium distearate. The rheology of the jojoba oil suspensions containing this material showed strong shear thinning behaviour and also an anomalous temperature dependence.The National Research Foundation (NRF) and the Bundesministerium für Forschung (BMBF).http://www.elsevier.com/locate/colsurfahb2014ai201

Modelling of stress and strain amplification effects in filled polymer melts

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Effects of particle distribution on mechanical properties of magneto-sensitive elastomers in a homogeneous magnetic field

We propose a theory which describes the mechanical behaviour of magneto-sensitive elastomers (MSEs) under a uniform external magnetic field. We focus on the MSEs with isotropic spatial distribution of magnetic particles. A mechanical model is used in which magnetic particles are arranged on the sites of three regular lattices: simple cubic, body-centered cubic and hexagonal close-packed lattices. By this we extend our previous approach [Ivaneyko D. et al., Macromolecular Theory and Simulations, 2011, <b>20</b>, 411] which used only a simple cubic lattice for describing the spatial distribution of the particles. The magneto-induced deformation and the Young's modulus of MSEs are calculated as functions of the strength of the external magnetic field. We show that the magneto-mechanical behaviour of MSEs is very sensitive to the spatial distribution of the magnetic particles. MSEs can demonstrate either uniaxial expansion or contraction along the magnetic field and the Young's modulus can be an increasing or decreasing function of the strength of the magnetic field depending on the spatial distribution of the magnetic particles

Modelling elasticity and memory effects in liquid crystalline elastomers by molecular dynamics simulations

We performed molecular dynamics simulations of a liquid crystal elastomer of side-chain architecture. The network is formed from a melt of 28 molecules each having a backbone of 100 hydrocarbon monomers, to which 50 side chains are attached in a syndiotactic way. Crosslinking is performed in the smectic A phase. We observe an increase of the smectic–isotropic phase transition temperature of about 5 degrees as compared to the uncrosslinked melt. Memory effects in liquid crystalline order and in sample shape are well reproduced when the elastomer is driven through the smectic–isotropic transition. Above this transition, in the isotropic phase, the polydomain smectic phase is induced by a uniaxial load. Below the transition, in a monodomain smectic A phase, both experimentally observed effects of homogeneous director reorientation and stripe formation are reproduced when the sample is stretched along the director. When the load is applied perpendicularly to the director, the sample demonstrates reversible deformation with no change of liquid crystalline order, indicating elasticity of the two-dimensional network of polymer layers