Search results for "Statistic"

Direct evaluation of the electron density correlation function of partially crystalline polymers

1980

A discussion of the general properties of the one-dimensional electron density correlation function K(z) of a partially crystalline polymer with lamellar structure shows that application of a graphical extrapolation procedure permits direct determination of the crystallinity, the specific inner surface, and the electron density difference ηc − ηa. The procedure is based upon the occurrence of a straight section in the “self-correlation” range of K(z). Curved and nonparallel lamellae do not invalidate the concept. In the case of heterogeneous samples composed of partially crystalline and totally amorphous regions, some of the parameters of the experimentally obtained correlation function, as…

Statistical Mechanics of Polymers: New Developments - International Workshop

2007

Mechanical behaviour of Mater-Bi/wood flour composites: a statistical approach

2008

Interest in biocomposites (lignocellulosic filled biopolymers) started in the 90s, due to environmental advantages, related to the full biodegradability of both matrix and filler, economical issues (organic fillers usually come from sawmill or agriculture wastes) and aesthetical issues (wood filled biopolymers could be particularly pleasant if used for indoor furnishing and automotive interior). In this work, a method for a systematic study of the properties of Mater-Bi®/wood flour composites is presented. A two-level full factorial model was built. It allows investigating the effects of multiple operative variables on the observed properties, their contributions, their optimal combinations…

Dragging a Polymer Chain into a Nanotube and Subsequent Release

2008

We present a scaling theory and Monte Carlo (MC) simulation results for a flexible polymer chain slowly dragged by one end into a nanotube. We also describe the situation when the completely confined chain is released and gradually leaves the tube. MC simulations were performed for a self-avoiding lattice model with a biased chain growth algorithm, the pruned-enriched Rosenbluth method. The nanotube is a long channel opened at one end and its diameter $D$ is much smaller than the size of the polymer coil in solution. We analyze the following characteristics as functions of the chain end position $x$ inside the tube: the free energy of confinement, the average end-to-end distance, the averag…

Dynamics of Glassy Polymer Melts in Confined Geometry: A Monte Carlo Simulation

1996

Dynamic properties of a dense polymer melt confined between two hard walls are investigated over a wide range of temperatures by dynamic Monte Carlo simulation. The temperature interval ranges from the ordinary liquid to the strongly supercooled melt. The influence of temperature, density and confinement on the polymer dynamics is studied by various mean-square displacements, structural relaxation functions and quantities derived from them (relaxation times, apparent diffusion coefficients, monomer relaxation rates), yielding the following results: The motion of the monomers and polymers close to the walls is enhanced in parallel, but reduced in perpendicular direction. This dynamic anisotr…

GLASS TRANSITION IN THIN POLYMER FILMS: A MOLECULAR DYNAMICS STUDY

2002

A melt of nonentangled polymer chains confined between two smooth and purely repulsive walls is studied for various film thicknesses D and temperatures. The dynamics of the supercooled films is qualitatively identical to that of the bulk, but the walls lead to faster relaxation. To quantify this observation we analyze the data by the mode-coupling theory (MCT) of the glass transition. We find that the critical temperature of MCT, Tc(D), decreases with D and that T - Tc(D) is a relevant temperature scale. The static structure factor and dynamic correlation functions at intermediate times coincide with bulk behavior when compared to the same T - Tc(D).

Hybrid silicon on insulator/polymer electro-optical intensity modulator operating at 780  nm

2014

Currently inorganic materials prevail as the nonlinear active medium for light modulation in electro-optical (EO) device technology. A recent promising trend is to consider organic nonlinear optical materials for application in EO modulators due to their multiple advantages including low costs and high EO coefficients. In this paper, we proposed a new type of polymer EO modulator whose fabrication is compatible with the currently used silicon on insulator technology. Our numerical optimization of the proposed structure demonstrates that it is theoretically possible to achieve a half-wave voltage as low as 1.56 V for a 1 cm long modulator structure operating at 780 nm. Based on the results o…

Simulation of Dense Polymer Systems in Two and Three Dimensions

1991

Dense polymer systems are modeled by self- and mutually avoiding walks on lattices. Both simple models where the step length is one lattice spacing and more complicated models where the step length is distinctly longer and may fluctuate (“bond fluctuation model”) are discussed, and it is shown that the computer simulation of such models gives useful insight to understand the thermodynamic phase behavior and the relaxational dynamics of dense polymer solutions and polymer melts. The huge demands in computing power needed for a successful simulation of such systems can be covered by parallel computers such as the multitransputer facility of the University of Mainz.

Effects of inhomogeneities of cross-links on a microphase separation of polymer mixtures

1994

We generalize de Gennes' theory of the microphase separation of cross-linked polymer mixtures to take into account the spatial fluctuations of the elasticity constant c, preventing the mixture from complete segregation. Within a mean-field analysis we found that the spatial fluctuations of c(r), which are assumed to obey the Poisson distribution, enlarge the size of the domains. The latter is obtained to be temperature dependent.


Dynamics of phase separation and critical phenomena in polymer mixtures

1987

The phenomenological mean-field theory for statics and dynamics of polymer mixtures is described, generalizing the approaches of Flory-Huggins, Cahn-Hilliard and de Gennes. Predictions are made for critical behavior, spinodal decomposition and homogeneous nucleation. The validity of the mean-field approximations is discussed with Ginzburg criteria. The results of the theory are compared to computer simulations and recent experiments.