Comparison between computational fluid dynamics,fluid–structure interaction and computational structural dynamics predictions of flow-induced wall mechanics in an anatomically realistic cerebral aneurysm model

Haemodynamically induced stress plays an important role in the progression and rupture of cerebral aneurysms. The current work describes computational fluid dynamics (CFD), fluid–structure interaction (FSI) and computational structural dynamics (CSD) simulations in an anatomically realistic model of a carotid artery with two saccular cerebral aneurysms in the ophthalmic region. The model was obtained from three-dimensional (3D) rotational angiographic imaging data. CFD and FSI were studied under a physiologically representative waveform of inflow. The arterial wall was assumed elastic or hyperelastic, as a 3D solid or as a shell depending on the type of modelling used. The flow was assumed to be laminar, non-Newtonian and incompressible. The CFD, FSI and CSD models were solved with the finite elements package ADINA. Predictions of velocity field and wall shear stress (WSS) on the aneurysms made using CFD and FSI were compared. The CSD model of the aneurysms using complete geometry was compared with isolated aneurysm models. Additionally, the effects of hypertensive pressure on CSD aneurysm models are also reported. The vortex structure, WSS, effective stress, strain and displacement of the aneurysm walls showed differences, depending on the type of modelling used.     

Thermomechanical Multiscale Constitutive Modeling: Accounting for Microstructural Thermal Effects

In this work we present a thermomechanical multiscale constitutive model for materials with microstructure. In these materials thermal effects at microscale have an impact on the effective macroscopic stress. As a result, it turns out that the homogenized stress depends upon the macroscopic temperature and its gradient. In order to allow this interplay to be thermodynamically valid, we resort to a macroscopic extended thermodynamics whose elements are derived from the microscopic behavior using homogenization concepts. Hence, the thermodynamics implications of this new class of multiscale models are discussed. A variational approach based on the Hill–Mandel Principle of Macro-homogeneity, and which makes use of the volume averaging concept over a local representative volume element (RVE), is employed to derive the thermal and mechanical equilibrium problems at the RVE level and the corresponding homogenization expressions for the effective heat flux and stress. The material behavior at the RVE level is described through standard phenomenological constitutive models. To sum up, the novel contribution of the model presented here is that it allows to include the microscopic temperature fluctuation field, obtained from the multiscale thermal analysis, in the micro-mechanical problem at the RVE level while keeping thermodynamic consistency.     

Polar Order,Mirror Symmetry Breaking,and Photoswitching of Chirality and Polarity in Functional Bent-Core Mesogens

In recent years, liquid crystals (LCs) responding to light or electrical fields have gained significant importance as multifunctional materials. Herein, two new series of photoswitchable bent-core liquid crystals (BCLCs) derived from 4-cyanoresorcinol as the central core connected to an azobenzene based wing and a phenyl benzoate wing are reported. The self-assembly of these molecules was characterized by differential scanning calorimetry (DSC), polarizing light microscopy (POM), electro-optical, dielectric, second harmonic generation (SHG) studies, and XRD. Depending on the direction of the COO group in the phenyl benzoate wing, core-fluorination, temperature, and the terminal alkyl chain length, cybotactic nematic and lamellar (smectic) LC phases were observed. The coherence length of the ferroelectric fluctuations increases continuously with decreasing temperature and adopts antipolar correlation upon the condensation into superparaelectric states of the paraelectric smectic phases. Finally, long-range polar order develops at distinct phase transitions; first leading to polarization modulated and then to nonmodulated antiferroelectric smectic phases. Conglomerates of chiral domains were observed in the high permittivity ranges of the synclinic tilted paraelectric smectic phases of these achiral molecules, indicating mirror symmetry breaking. Fine-tuning of the molecular structure leads to photoresponsive bent-core (BC)LCs exhibiting a fast and reversible photoinduced change of the mode of the switching between ferroelectric- and antiferroelectric-like as well as a light-induced switching between an achiral and a spontaneous mirror-symmetry-broken LC phase.     

Retrieval of transverse relaxation time distribution from spin-echo data by recurrent neural network

Inversion of transverse relaxation time decay curve from spin-echo experiments was carried out using Hopfield neural network, to obtain the transverse relaxation time distribution. The performance of this approach was tested against simulated and experimental data. The initial guess, necessary for the integration procedure, was established as the analytical Laplace inversion. Together with errors in the simulated data, inversion was also carried out with errors in this initial guess. The probability density function, calculated by the neural network, is used in multiple sclerosis diagnostics.     

Low-molecular-weight poly(alpha-methyl beta,L-malate) of microbial origin: synthesis and crystallization

Low-molecular-weight poly(alpha-methyl beta,L-malate) made of approximately 25-30 units was prepared from microbial poly(beta,L-malic acid) by treatment with diazomethane. The thermal characterization of the polymalate methyl ester was carried out and its crystalline structure was preliminary examined. Its ability to crystallize both from solution and from the melt was comparatively evaluated.     

Polyterephthalates made from Ethylene glycol, 1,4‐cyclohexanedimethanol,and isosorbide

Three series of terephthalate polyesters (copolyesters and terpolyesters) containing 70, 80, and 90 mol % of ethylene glycol respectively, 1,4‐cyclohexanedimethanol (CHDM) and isosorbide in varying ratios, were synthesized by melt polycondensation. It was found that only ～75 mol % of the feeding isosorbide was incorporated in the resulting polyesters and that their content in diethylene glycol oscillated between 2 and 4 mol %. The polyesters had weight‐average molecular weights in the 25,000–33,000 g mol^?1 range and polydispersities between 2 and 2.5. The combined ¹H and ¹³C NMR analysis revealed that the microstructure of all these polyesters was at random. They showed good thermal stability with decomposition temperatures above 400 °C. Their glass‐transition temperatures were observed to increase with the content in cyclic diols, this effect being more pronounced when isosorbide was the replacing comonomer. Only the series containing 90 mol % of ethylene terephthalate units was able to crystallize upon cooling from the melt. Compared isothermal crystallizations revealed that isosorbide was more effective than CHDM in repressing the crystallizability of PET. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011     

Butylene copolyesters based on aldaric and terephthalic acids. Synthesis and characterization

The synthesis, characterization, and some properties of new copolyesters analogous to poly(butylene terephthalate) (PBT), based on L ‐arabinaric and galactaric acids, are described. These copolyesters were obtained by polycondensation reaction in the melt of mixtures of methyl 2,3,4‐tri‐O‐methyl‐L ‐arabinarate or methyl 2,3,4,5‐tetra‐O‐methyl‐galactarate and dimethyl terephthalate with 1,4‐butanediol. Their weight‐average molecular weights ranged between 10,000 and 34,000, with polydispersities ranging from 1.4 to 2.2. The composition of all the copolymers was analyzed by NMR, and was found to have a statistical microstructure. All these copolyesters were thermally stable, with degradation temperatures well above 300 °C. The melting temperature and crystallinity decreased in both series, and the glass transition temperature increased and decreased respectively, for the PBTGa and PBTAr series with increasing amounts of aldaric units in the copolyester chain. Only PBT‐derived copolyesters containing a maximum of 30% aldaric units showed discrete scattering characteristic of crystalline material. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 1168–1177, 2009     

Free-standing urethane/urea elastomer films undoped and doped with ferro-nano-particles

We report on an experimental study of the structures presented by urethane/urea elastomeric films without and with ferromagnetic nanoparticles incorporated. The study is made by using the X-ray diffraction, nuclear magnetic resonance (NMR), optical, atomic and magnetic force (MFM) microscopy techniques, and mechanical assays. The structure of the elastomeric matrix is characterized by a distance of 0.46nm between neighboring molecular segments, almost independent on the stretching applied. The shear casting performed in order to obtain the elastomeric films tends to orient the molecules parallel to the flow direction thus introducing anisotropy in the molecular network which is reflected on the values obtained for the orientational order parameter and its increase for the stretched films. In the case of nanoparticles-doped samples, the structure remains nearly unchanged although the local order parameter is clearly larger for the undoped films. NMR experiments evidence modifications in the molecular network local ordering. Micrometer size clusters were observed by MFM for even small concentration of magnetic particles.