Approximation of a population dynamics model by parabolic regularization

The basic linear model for describing an age structured population spreading in a limited habitat is considered with the purpose of investigating an approximation procedure based on parabolic regularization. In fact, a viscosity model is introduced by considering an appropriate approximating regularized parabolic problem and it is proved that the sequence of the approximating solutions tends to the solution to the original problem. The advantage of this approach is that it leads to the numerical solution of a parabolic problem that has more stable solutions than the hyperbolic‐parabolic original problem and avoids the restrictions (compatibility conditions) needed to treat the latter. Moreover, for the solution of the approximating problem, it is possible to take advantage of established software packages dedicated to parabolic problems. Some examples of the approach are provided using COMSOL Multiphysics. Copyright © 2012 John Wiley & Sons, Ltd.     

Convergence of proximal solutions for evolution inclusions with time-dependent maximal monotone operators

Mathematical Programming - This article studies the solutions of time-dependent differential inclusions which is motivated by their utility in optimization algorithms and the modeling of physical...     

Matrices for mono-material composites (MMC). The case of poly(ethylene terephthalate)

The use of the same thermoplastic polymer for both the matrix and the filler in the preparation of composites is very attractive, because such composites are in principle fully recyclable. Recently it has been reported the preparation of a mono-material composite (MMC) made of polypropylene to be used in automobile parts. In this work we report on the preparation and characterization of matrices for quasi MMC made of poly(ethylene terephthalate) (PET). Particularly we found PET copolymers containing isophthalate (IPA) units adequate to be used as matrix.     

Supramolecular hexagonal structure of a segmented liquid crystalline polyester with allyl group as lateral substituent

The molecular structure of the phase—stable at room temperature—for the polymer with formula [ p C₆H₄ COO p C₆H₃(R) p C₆H₃(R) OOC p C₆H₄ O (CH₂)₁₀O ]_x, with R =  CH₂ CHCH₂, is reported. The cell is hexagonal (a = b = 13.43 Å, c = 33.3 Å, γ = 120°), space group P6₃, six chains per unit cell (d_calcd = 1.23 g cm⁻³). The six chains are packed together to give a bundle with the center of mass set at the origin of the unit cell. The allyl groups are placed inside the bundle, thus explaining the unexpected reactivity of the double bonds to give crosslinking when fiber samples are annealed in the solid state. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 1601–1607, 1999     

Computer Simulations of Natural and Synthetic Polymers in Confined Systems

Nanotechnology is the ability to work at the molecular and supramolecular levels in order to create and use devices, structures and systems with the desired properties and functions. This is what Nature already does in living systems. In this work we investigated the consequences of confinement in the ordering of natural (namely proteins) and synthetic polymers by means of computational techniques. The focus is put on the possibility to design new materials in a Nature-like fashion. In the first part of the paper, the possibility to select/design different folding of the same peptide is investigated by means of full atoms molecular dynamics. In the second part of the paper dynamic mean-field density functional method is applied to the dynamics of block copolymer melts in three-dimensional lattice model. The analysis of the aggregates and their temporal evolution in free space and in confined space are compared.     

Molecular structure refinement of a segmented thermotropic polyester containing an aromatic triad mesogen

The polymorphic behavior of a polyester consisting of an aromatic triad mesogen and a flexible spacer has been investigated. The effect of thermal and mechanical treatment on the appearance of two crystalline phases stable at room temperature is discussed. The molecular packing (triclinic cell, space group P1 ) and the morphological parameters of the crystalline phase stabilized by drawing process are evaluated and refined. The whole-pattern method, based on the analysis of the whole x-ray diffraction pattern from fiber samples of polymer, has been employed. The molecular packing resembles very much that of polyethylene terephthalate. ©1995 John Wiley & Sons, Inc.     

A deconvolution‐based fourth‐order finite volume method for incompressible flows on non‐uniform grids

This paper is concerned with the development of a new high‐order finite volume method for the numerical simulation of highly convective unsteady incompressible flows on non‐uniform grids. Specifically, both a high‐order fluxes integration and the implicit deconvolution of the volume‐averaged field are considered. This way, the numerical solution effectively stands for a fourth‐order approximation of the point‐wise one. Moreover, the procedure is developed in the framework of a projection method for the pressure–velocity decoupling, while originally deriving proper high‐order intermediate boundary conditions. The entire numerical procedure is discussed in detail, giving particular attention to the consistent discretization of the deconvolution operation. The present method is also cast in the framework of approximate deconvolution modelling for large‐eddy simulation. The overall high accuracy of the method, both in time and space, is demonstrated. Finally, as a model of real flow computation, a two‐dimensional time‐evolving mixing layer is simulated, with and without sub‐grid scales modelling. Copyright © 2003 John Wiley & Sons, Ltd.