On the inflation and deflation dynamics of liquid-filled,hyperelastic balloons

We derive a reduced-order model describing the inflation and deflation dynamics of a liquid-filled hyperelastic balloon, focusing on inviscid laminar flow and the extensional motion of the balloon. We initially study the flow and pressure fields for dictated motion of the solid, which throughout deflation are obtained by solving the potential problem. However, during inflation, flow separation creates a jet within the balloon, requiring a different approach. The analyses of both flow regimes lead to a simple piecewise model, describing the fluidic pressure during inflation and deflation, which is verified by finite element computations. We then use a variational approach to derive the equation describing the interaction between the extensional mode of the balloon and the entrapped fluid, yielding a nonlinear hybrid oscillator equation. Analytical and graphical investigations of the suggested model are presented, shedding light on its static and dynamic behaviour under different operating conditions. Our simplified model and its underlying assumptions are verified utilizing a fully coupled finite element scheme, showing excellent agreement.     

Tumor Hypoxia Heterogeneity Affects Radiotherapy: Inverse-Percolation Shell-Model Monte Carlo Simulations

Tumor hypoxia was discovered a century ago, and the interference of hypoxia with all radiotherapies is well known. Here, we demonstrate the potentially extreme effects of hypoxia heterogeneity on radiotherapy and combination radiochemotherapy. We observe that there is a decrease in hypoxia from tumor periphery to tumor center, due to oxygen diffusion, resulting in a gradient of radiative cell-kill probability, mathematically expressed as a probability gradient of occupied space removal. The radiotherapy-induced break-up of the tumor/TME network is modeled by the physics model of inverse percolation in a shell-like medium, using Monte Carlo simulations. The different shells now have different probabilities of space removal, spanning from higher probability in the periphery to lower probability in the center of the tumor. Mathematical results regarding the variability of the critical percolation concentration show an increase in the critical threshold with the applied increase in the probability of space removal. Such an observation will have an important medical implication: a much larger than expected radiation dose is needed for a tumor breakup enabling successful follow-up chemotherapy. Information on the TME’s hypoxia heterogeneity, as shown here with the numerical percolation model, may enable personalized precision radiation oncology therapy.     

Megavariate Analysis of Environmental QSAR Data. Part II – Investigating Very Complex Problem Formulations Using Hierarchical, Non-Linear and Batch-Wise Extensions of PCA and PLS

Summary Three extensions of the basic PCA and PLS methodologies are described. These extensions are hierarchical, non-linear and batch-based in nature. The objectives of these methods are to assist in problem understanding and problem solving in very complex (QSAR) problem formulations. The method extensions are illustrated using two example QSAR data sets containing many X- and Y-variables.     

Reflection and transmission at normal incidence onto air-saturated porous materials and direct measurements based on parametric demodulated ultrasonic waves

The present work is related to the characterization of air-saturated porous media by using parametric demodulated ultrasonic waves. One uses two different powerful ultrasonic emitters working either at 47 kHz or at 162 kHz which are electronically amplitude modulated over the 200 Hz-4 kHz or 2 kHz-40 kHz bandwidths respectively. The demodulation process takes place in air, due to its nonlinearity enabling to generate audio range acoustical waves or alternatively low frequency ultrasonic waves which can be used to characterize porous materials in the reflection configuration at normal incidence. Some appropriate theoretical calculations are introduced for three configurations of interest, i.e. a porous slab, a porous layer mounted onto a rigid plate, and a porous half space, in the case of the equivalent-fluid model. Comparisons between theoretical modeling and experimental data are provided and prospective industrial applications are discussed.     

Influence of ligand-bridged substitution on the exchange coupling constant of chromium-wheels host complexes: a density functional theory study

Designing and introducing novel wheel-shaped supramolecular as host complexes with new magnetic properties is the theme of the day. So in this study, new eight binuclear chromium (III) complexes, as models of real chromium-wheel host complexes, were designed based on changing of bridged-ligands and exchange coupling constants (J) of them were calculated using the broken symmetry density functional theory approach. Substitution of fluorine ligand in fluoro-bridged model [Cr₂F(tBuCO₂)₂(H₂O)₂(OH)₄]^?1 by halogen anions (Cl^?, Br^? and I^? ) decreased the antiferromagnetic exchange coupling between Cr(III) centres such that by going from F^? to I^? the J values became more positive. In the case of hydroxo-bridged model [Cr₂OH(tBuCO₂)₂(H₂O)₂(OH)₄]^?1, replacement of hydroxyl by methoxy anion (OMe^?) strengthened the antiferromagnetic property of the complex but substitution by sulfanide (SH^?) and amide (NH₂^?) anions weakened it and changed the nature of complexes to ferromagnetic. Because of their different magnetic properties, these new investigated complexes can be suggested as interesting synthetic targets. Also, the J value changes due to ligand substitution were evaluated and it was found that the Cr–X bond strength and partial charges of involved atoms were the most effective factors on it.     

Lattice-Boltzmann simulations of dynamic interfacial tension due to soluble amphiphilic surfactant

An amphiphilic Lattice-Boltzmann approach is adopted to model dynamic interfacial tension due to non-ionic surfactant. In the current system, the surfactant adsorption kinetics is diffusion dominated and the interface separates two immiscible fluids. A rotational relaxation time and a diffusive/viscous relaxation time are associated with the surfactant. The model results are compared with experimental data for the dynamic interfacial tension of a pendant oil droplet in water, with oil soluble surfactant. We demonstrate how to adapt and calibrate the model to capture the adsorption timescale of the surfactant and the magnitude of interfacial tension reduction due to surfactant. A scheme to overcome numerical instabilities due to the relatively low surfactant concentration, is devised. We are able to qualitatively match the Frumkin equation of state for the interfacial tension.     

Multi-patch model for transport properties of cuprate superconductors

A number of normal state transport properties of cuprate superconductors are analyzed in detail using the Boltzmann equation. The momentum dependence of the electronic structure and the strong momentum anisotropy of the electronic scattering are included in a phenomenological way via a multi-patch model. The Brillouin zone and the Fermi surface are divided in regions where scattering between the electrons is strong and the Fermi velocity is low (hot patches) and in regions where the scattering is weak and the Fermi velocity is large (cold patches). We present several motivations for this phenomenology starting from various microscopic approaches. A solution of the Boltzmann equation in the case of N patches is obtained and an expression for the distribution function away from equilibrium is given. Within this framework, and limiting our analysis to the two patches case, the temperature dependence of resistivity, thermoelectric power, Hall angle, magnetoresistance and thermal Hall conductivity are studied in a systematic way analyzing the role of the patch geometry and the temperature dependence of the scattering rates. In the case of Bi-based cuprates, using ARPES data for the electronic structure, and assuming an inter-patch scattering between hot and cold states with a linear temperature dependence, a reasonable agreement with the available experiments is obtained. Received 3 August 2001 and Received in final form 1st November 2001     

Fast and accurate reflectivity calculations for shaped core optical fibres

A novel scalar (i.e. paraxial) free space radiation mode method is presented for calculating the normal incidence facet reflectivity of the main guided mode of a step-index optical fibre with generally shaped smooth core. Numerical results are presented and discussed for several cases of the Nth order super-elliptical core shape, including the circular, elliptical, rectangular-type and slab limiting cases.