Deformation and tidal evolution of close-in planets and satellites using a Maxwell viscoelastic rheology

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Growth Control of Microbial in Miscible Cutting Fluids Using Ultraviolet Radiation

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

NUMERICAL AND ANALYTICAL VERIFICATION OF A MULTISCALE COMPUTATIONAL MODEL FOR IMPACT PROBLEMS IN HETEROGENEOUS VISCOELASTIC MATERIALS WITH EVOLVING DAMAGE

Composites are engineered materials that take advantage of the particular properties of each of its two or more constituents. They are designed to be stronger, lighter and to last longer which can lead to the creation of safer protection gear, more fuel efficient transportation methods and more affordable materials, among other examples. This thesis proposes a numerical and analytical verification of an in-house developed multiscale model for predicting the mechanical behavior of composite materials with various configurations subjected to impact loading. This verification is done by comparing the results obtained with analytical and numerical solutions with the results found when using the model. The model takes into account the heterogeneity of the materials that can only be noticed at smaller length scales, based on the fundamental structural properties of each of the composite’s constituents. This model can potentially reduce or eliminate the need of costly and time consuming experiments that are necessary for material characterization since it relies strictly upon the fundamental structural properties of each of the composite’s constituents. The results from simulations using the multiscale model were compared against results from direct simulations using over-killed meshes, which considered all heterogeneities explicitly in the global scale, indicating that the model is an accurate and fast tool to model composites under impact loads. Advisor: David H. Allen

MOLECULAR DYNAMICS STUDIES OF SIMPLE MODEL FLUIDS AND WATER CONFINED IN CARBON NANOTUBE

Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became the more popular ab initio calculation technique which could deal with ~1000 atoms by explicitly considering electron interactions. In contrast, MD simulation based on solving classical mechanics equations of motion is a totally different technique in the field of computational chemistry. Electron interactions were implicitly included in the empirical atom-based potential functions and the system size to be investigated can be extended to ~106 atoms. The thermodynamic properties of model fluids are mainly determined by macroscopic quantities, like temperature, pressure, density. The quantum effects on thermodynamic properties like melting point, surface tension are not dominant. In this work, we mainly investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew, TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.

MECHANICAL TESTING DEVICE FOR VISCOELASTIC BIOMATERIALS

Nearly all biologic tissues exhibit viscoelastic behavior. This behavior is characterized by hysteresis in the response of the material to load or strain. This information can be utilized in extrapolation of life expectancy of vascular implant materials including native tissues and synthetic materials. This behavior is exhibited in many engineering materials as well such as the polymers PTFE, polyamide, polyethylene, etc. While procedures have been developed for evaluating the engineering polymers the techniques for biologic tissues are not as mature. There are multiple reasons for this. A major one is a cultural divide between the medical and engineering communities. Biomedical engineers are beginning to fill that void. A digitally controlled drivetrain designed to evaluate both elastic and viscoelastic characteristics of biologic tissues has been developed. The initial impetus for the development of this device was to evaluate the potential for human umbilical tissue to serve as a vascular graft material. The consequence is that the load frame is configured for membrane type specimens with rectangular dimensions of no more than 25mm per side. The designed load capacity of the drivetrain is to impose an axial load of 40N on the specimen. This drivetrain is capable of assessing the viscoelastic response of the specimens by four different test modes: stress relaxation, creep, harmonic induced oscillations, and controlled strain rate tests. The fluorocarbon PTFE has mechanical properties commensurate with vascular tissue. In fact, it has been used for vascular grafts in patients who have been victims of various traumas. Hardware and software validation of the device was accomplished by testing PTFE and comparing the results to properties that have been published by both researchers and manufacturers.

Realistic fluids as source for dynamically accreting black holes in a cosmological background

We show that a single imperfect fluid can be used as a source to obtain a mass-varying black hole in an expanding universe. This approach generalizes the well-known McVittie spacetime, by allowing the mass to vary thanks to a novel mechanism based on the presence of a temperature gradient. This fully dynamical solution, which does not require phantom fields or fine-tuning, is a step forward in a new direction in the study of systems whose local gravitational attraction is coupled to the expansion of the universe. We present a simple but instructive example for the mass function and briefly discuss the structure of the apparent horizons and the past singularity.

Experimental investigations of heat transfer coefficients of cutting fluids in metal cutting processes: analysis of workpiece phenomena in a given case study

This paper reports an experimental method to estimate the convective heat transfer of cutting fluids in a laminar flow regime applied on a thin steel plate. The heat source provided by the metal cutting was simulated by electrical heating of the plate. Three different cooling conditions were evaluated: a dry cooling system, a flooded cooling system and a minimum quantity of lubrication cooling system, as well as two different cutting fluids for the last two systems. The results showed considerable enhancement of convective heat transfer using the flooded system. For the dry and minimum quantity of lubrication systems, the heat conduction inside the body was much faster than the heat convection away from its surface. In addition, using the Biot number, the possible models were analyzed for conduction heat problems for each experimental condition tested.

Consistency of the mass variation formula for black holes accreting cosmological fluids

We address the spherical accretion of generic fluids onto black holes. We show that, if the black hole metric satisfies certain conditions, in the presence of a test fluid it is possible to derive a fully relativistic prescription for the black hole mass variation. Although the resulting equation may seem obvious due to a form of it appearing as a step in the derivation of the Schwarzschild metric, this geometrical argument is necessary to fix the added degree of freedom one gets for allowing the mass to vary with time. This result has applications on cosmological accretion models and provides a derivation from first principles to serve as a basis to the accretion equations already in use in the literature.

Turbidimetric Spectroscopy for the Evaluation of Metalworking Fluids Stability

The stability of oil-in-water (O/W) emulsions used as metalworking fluids is a key factor for the economical and environmental balance of the entire metalworking process because used and broken fluids must be recycled or disposed. In this study, the ability of turbidimetric spectroscopy in the ultraviolet and visible light range to detect metalworking fluids destabilization was evaluated. Destabilization was achieved by adding calcium chloride, thus achieving accelerated aging, which leads to coalescence, creaming, and complete emulsion separation. The stability of the metalworking fluids at 5% volumetric concentration in deionized water was monitored using a spectroscopic turbidimeter composed of an optical probe for in-line measurements. Destabilization was also monitored by measuring the vertical profile of backscattered and transmitted light. The results of this offline measurement system were compared with those from the in-line spectroscopic sensor, indicating that the latter can provide local, real-time information on emulsion destabilization, thus enabling control actions.

Application of the log-conformation tensor to three-dimensional time-dependent free surface flows

The numerical simulation of flows of highly elastic fluids has been the subject of intense research over the past decades with important industrial applications. Therefore, many efforts have been made to improve the convergence capabilities of the numerical methods employed to simulate viscoelastic fluid flows. An important contribution for the solution of the High-Weissenberg Number Problem has been presented by Fattal and Kupferman [J. Non-Newton. Fluid. Mech. 123 (2004) 281-285] who developed the matrix-logarithm of the conformation tensor technique, henceforth called log-conformation tensor. Its advantage is a better approximation of the large growth of the stress tensor that occur in some regions of the flow and it is doubly beneficial in that it ensures physically correct stress fields, allowing converged computations at high Weissenberg number flows. In this work we investigate the application of the log-conformation tensor to three-dimensional unsteady free surface flows. The log-conformation tensor formulation was applied to solve the Upper-Convected Maxwell (UCM) constitutive equation while the momentum equation was solved using a finite difference Marker-and-Cell type method. The resulting developed code is validated by comparing the log-conformation results with the analytic solution for fully developed pipe flows. To illustrate the stability of the log-conformation tensor approach in solving three-dimensional free surface flows, results from the simulation of the extrudate swell and jet buckling phenomena of UCM fluids at high Weissenberg numbers are presented. (C) 2012 Elsevier B.V. All rights reserved.

Derivation and characterization of progenitor stem cells from canine allantois and amniotic fluids at the third trimester of gestation

Fetal tissues are frequently discarded before (amniocentesis) or after birth, which both facilitates stem cell access and helps to overcome ethical concerns. In the present study, we aimed to isolate and characterize stem cells from the allantoic and amniotic fluids (ALF; AMF) of third trimester canine fetuses. This gestation age has not been previously explored for stem cells isolation. The gestational age, cell culture conditions and method of isolation used in this study allowed for the establishment and efficient expansion of ALF and AMF cells. We showed that the majority of ALF and ALF cells express the stem cell markers, such as vimentin, nestin and cytokeratin 18 (CK18). Under appropriate culture conditions AMF derived cells can undergo differentiation into osteogenic, adipogenic, chondrogenic and neuron-like lineages. ALF derived cells showed adipogenic, and chondrogenic potential. Therefore, ALF and AMF cells derived at the third gestation trimester can be qualified as progenitor stem cells, accordingly referred as (alantoic fluid progenitor/stem) ALF PS cells and (amniotic fluid progenitor/stem) AMF PS cells. (C) 2012 Elsevier Ltd. All rights reserved.

Innovative analytical methods for Central Nervous System Drug analysis in biological fluids

During recent years a consistent number of central nervous system (CNS) drugs have been approved and introduced on the market for the treatment of many psychiatric and neurological disorders, including psychosis, depression, Parkinson disease and epilepsy. Despite the great advancements obtained in the treatment of CNS diseases/disorders, partial response to therapy or treatment failure are frequent, at least in part due to poor compliance, but also genetic variability in the metabolism of psychotropic agents or polypharmacy, which may lead to sub-therapeutic or toxic plasma levels of the drugs, and finally inefficacy of the treatment or adverse/toxic effects. With the aim of improving the treatment, reducing toxic/side effects and patient hospitalisation, Therapeutic Drug Monitoring (TDM) is certainly useful, allowing for a personalisation of the therapy. Reliable analytical methods are required to determine the plasma levels of psychotropic drugs, which are often present at low concentrations (tens or hundreds of nanograms per millilitre). The present PhD Thesis has focused on the development of analytical methods for the determination of CNS drugs in biological fluids, including antidepressants (sertraline and duloxetine), antipsychotics (aripiprazole), antiepileptics (vigabatrin and topiramate) and antiparkinsons (pramipexole). Innovative methods based on liquid chromatography or capillary electrophoresis coupled to diode-array or laser-induced fluorescence detectors have been developed, together with the suitable sample pre-treatment for interference removal and fluorescent labelling in case of LIF detection. All methods have been validated according to official guidelines and applied to the analysis of real samples obtained from patients, resulting suitable for the TDM of psychotropic drugs.

Numerical modelling of fluid-structure interaction with application in hemodynamics

The thesis deals with numerical algorithms for fluid-structure interaction problems with application in blood flow modelling. It starts with a short introduction on the mathematical description of incompressible viscous flow with non-Newtonian viscosity and a moving linear viscoelastic structure. The mathematical model consists of the generalized Navier-Stokes equation used for the description of fluid flow and the generalized string model for structure movement. The arbitrary Lagrangian-Eulerian approach is used in order to take into account moving computational domain. A part of the thesis is devoted to the discussion on the non-Newtonian behaviour of shear-thinning fluids, which is in our case blood, and derivation of two non-Newtonian models frequently used in the blood flow modelling. Further we give a brief overview on recent fluid-structure interaction schemes with discussion about the difficulties arising in numerical modelling of blood flow. Our main contribution lies in numerical and experimental study of a new loosely-coupled partitioned scheme called the kinematic splitting fluid-structure interaction algorithm. We present stability analysis for a coupled problem of non-Newtonian shear-dependent fluids in moving domains with viscoelastic boundaries. Here, we assume both, the nonlinearity in convective as well is diffusive term. We analyse the convergence of proposed numerical scheme for a simplified fluid model of the Oseen type. Moreover, we present series of experiments including numerical error analysis, comparison of hemodynamic parameters for the Newtonian and non-Newtonian fluids and comparison of several physiologically relevant computational geometries in terms of wall displacement and wall shear stress. Numerical analysis and extensive experimental study for several standard geometries confirm reliability and accuracy of the proposed kinematic splitting scheme in order to approximate fluid-structure interaction problems.

Computer simulations of colloidal fluids in confinement

Computer-Simulationen von Kolloidalen Fluiden in Beschränkten Geometrien Kolloidale Suspensionen, die einen Phasenübergang aufweisen, zeigen eine Vielfalt an interessanten Effekten, sobald sie auf eine bestimmte Geometrie beschränkt werden, wie zum Beispiel auf zylindrische Poren, sphärische Hohlräume oder auf einen Spalt mit ebenen Wänden. Der Einfluss dieser verschiedenen Geometrietypen sowohl auf das Phasenverhalten als auch auf die Dynamik von Kolloid-Polymer-Mischungen wird mit Hilfe von Computer-Simulationen unter Verwendung des Asakura-Oosawa- Modells, für welches auf Grund der “Depletion”-Kräfte ein Phasenübergang existiert, untersucht. Im Fall von zylindrischen Poren sieht man ein interessantes Phasenverhalten, welches vom eindimensionalen Charakter des Systems hervorgerufen wird. In einer kurzen Pore findet man im Bereich des Phasendiagramms, in dem das System typischerweise entmischt, entweder eine polymerreiche oder eine kolloidreiche Phase vor. Sobald aber die Länge der zylindrischen Pore die typische Korrelationslänge entlang der Zylinderachse überschreitet, bilden sich mehrere quasi-eindimensionale Bereiche der polymerreichen und der kolloidreichen Phase, welche von nun an koexistieren. Diese Untersuchungen helfen das Verhalten von Adsorptionshysteresekurven in entsprechenden Experimenten zu erklären. Wenn das Kolloid-Polymer-Modellsystem auf einen sphärischen Hohlraum eingeschränkt wird, verschiebt sich der Punkt des Phasenübergangs von der polymerreichen zur kolloidreichen Phase. Es wird gezeigt, dass diese Verschiebung direkt von den Benetzungseigenschaften des Systems abhängt, was die Beobachtung von zwei verschiedenen Morphologien bei Phasenkoexistenz ermöglicht – Schalenstrukturen und Strukturen des Janustyps. Im Rahmen der Untersuchung von heterogener Keimbildung von Kristallen innerhalb einer Flüssigkeit wird eine neue Simulationsmethode zur Berechnung von Freien Energien der Grenzfläche zwischen Kristall- bzw. Flüssigkeitsphase undWand präsentiert. Die Resultate für ein System von harten Kugeln und ein System einer Kolloid- Polymer-Mischung werden anschließend zur Bestimmung von Kontaktwinkeln von Kristallkeimen an Wänden verwendet. Die Dynamik der Phasenseparation eines quasi-zweidimensionalen Systems, welche sich nach einem Quench des Systems aus dem homogenen Zustand in den entmischten Zustand ausbildet, wird mit Hilfe von einer mesoskaligen Simulationsmethode (“Multi Particle Collision Dynamics”) untersucht, die sich für eine detaillierte Untersuchung des Einflusses der hydrodynamischen Wechselwirkung eignet. Die Exponenten universeller Potenzgesetze, die das Wachstum der mittleren Domänengröße beschreiben, welche für rein zwei- bzw. dreidimensionale Systeme bekannt sind, können für bestimmte Parameterbereiche nachgewiesen werden. Die unterschiedliche Dynamik senkrecht bzw. parallel zu den Wänden sowie der Einfluss der Randbedingungen für das Lösungsmittel werden untersucht. Es wird gezeigt, dass die daraus resultierende Abschirmung der hydrodynamischen Wechselwirkungsreichweite starke Auswirkungen auf das Wachstum der mittleren Domänengröße hat.

Statistical analysis of a viscoelastic turbulent channel flow

Statiscal analysis related to a viscoelastic turbulent channel flow characterized as dilute polymer solution.