Shock waves create a unique environment of high pressure, high temperature and high strain-rates. It has been observed that chemical reactions that occur in this regime are exothermic and can lead to the synthesis of new materials that are not possible under other conditions. The exothermic reaction is used in the development of binary energetic materials. These materials are of significant interest to the energetic materials community because of its capability of releasing high heat content during a chemical reaction and the relative insensitivity of these types of energetic materials. Synthesis of these energetic materials, at nano grain sizes with structural reinforcements, provides an opportunity to develop a dual functional material with both strength and energetic characteristics. Shock-induced chemical reactions pose challenges in experiment and instrumentation. This thesis is addressed to the theoretical development of constitutive models of shock-induced chemical reactions in energetic composites, formulated in the framework of non-equilibrium thermodynamics and mixture theories, in a continuum scale. Transition state-based chemical reaction models are introduced and incorporated with the conservation equations that can be used to calculate and simulate the shock-induced reaction process. The energy that should be supplied to reach the transition state has been theoretically modeled by considering both the pore collapse mechanism and the plastic flow with increasing yield stress behind the shock wave. A non-equilibrium thermodynamics framework and the associated evolution equations are introduced to account for time delays that are observed in the experiments of shock-induced or assisted chemical reactions. An appropriate representation of the particle size effects is introduced by modifying the initial energy state of the reactants. Numerical results are presented for shock-induced reactions of mixtures of Al, Fe2O3 and Ni, Al with epoxy as the binder. The theoretical model, in the continuum scale, requires parameters that should be experimentally determined. The experimental characterization has many challenges in measurement and development of nano instrumentation. An alternate approach to determine these parameters is through ab-initio calculations. Thus, this thesis has initiated ab-initio molecular dynamics studies of shock-induced chemical reactions. Specifically, the case of thermal initiation of chemical reactions in aluminum and nickel is considered.

A study of heat transfer and pressure drop in zero ozone-depletion-potential (ODP) ‎refrigerant blends in small diameter tubes was conducted. The azeotropic refrigerant ‎blend R410A (equal parts of R32 and R125 by mass) has zero ODP and has properties ‎similar to R22, and is therefore of interest for vapor compression cycles in high-‎temperature-lift space-conditioning and water heating applications. Smaller tubes lead to ‎higher heat transfer coefficients and are better suited for high operating pressures.‎ Heat transfer coefficients and pressure drops for R410A were determined experimentally ‎during condensation across the entire vapor-liquid dome at 0.8, 0.9xPcritical and gas ‎cooling at 1.0, 1.1, 1.2xPcritical in three different round tubes (D = 3.05, 1.52, 0.76 mm) ‎over a mass flux range of 200 < G < 800 kg/m2-s. A thermal amplification technique was ‎used to accurately determine the heat duty for condensation in small quality increments ‎or supercritical cooling across small temperature changes while ensuring low ‎uncertainties in the refrigerant heat transfer coefficients. ‎ The data from this study were used in conjunction with data obtained under similar ‎operating conditions for refrigerants R404A and R410A in tubes of diameter 6.22 and ‎‎9.40 mm to develop models to predict heat transfer and pressure drop in tubes with ‎diameters ranging from 0.76 to 9.40 mm during condensation. Similarly, in the ‎supercritical states, heat transfer and pressure drop models were developed to account for ‎the sharp variations in the thermophysical properties near the critical point.‎ The physical understanding and models resulting from this investigation provide the ‎information necessary for designing and optimizing new components that utilize R410A ‎for air-conditioning and heat pumping applications.‎

D. Tech. Chemical, Metallurgical and Materials Engineering / Discusses the objective of this present study is to manufacture particulate-strengthening Zn-Al-SnO2-TiO2 composite alloy on mild steel from chloride and sulphate baths with the target of improving mechanical and anti-corrosion, wear properties for automotive and decorative applications. Sub-Objectives:To study the effect of Zn-Al-SnO2-TiO2 composite properties on mild steel substrate To investigate the novel multifunctional thin films evolution formed on mild steel and their tribological properties. To investigate thermo-mechanical recrystallization behaviour and its thermal instability.To study the anti-corrosion resistance performance of the electrofabricated quaternary Zn-Al-SnO2-TiO2 coatings.To draw attention to the functional processing parameters of Zn-Al-SnO2-TiO2 produced coatings for high durability.

D. Tech. Chemical, Metallurgical and Materials Engineering. / Aims to produce and improve the tribocorrosion property of Ti6Al4V by means of laser surface cladding with Ni and ZrO2. The results of this study would be useful for the design of high performance components for chemical and oil industry and potential applications in other engineering fields. The aim would be achieved through the following objectives: 1. Synthesize and characterise Ti, Ti-Ni and Ti-Ni-ZrO2 admixed powders. 2. Explore the feasibility of laser surface treatment of Ti6Al4V with Ti, Ti-Ni and Ti-Ni-ZrO2. 3. Investigate possible metallurgical interactions and phenomenon during and after laser surface cladding of the composite. 4. Evaluate the microstructural and mechanical properties of Ti based composites in terms of hardness. 5. Analyze the interaction between wear and corrosion wear as well as tribocorrosion resistance of the alloys and composites after laser surface cladding in 3.5 % NaCl and 1M H2SO4 environments.

The studied material is an A356 Al alloy, used to produce engine cylinder heads for the automotive industry by die casting process. The material displays a quite coarse dendritic microstructure in a eutectic matrix, with a mean grains size of 25 microns, intemetallic precipitates and porosities. The tensile properties are strongly affected by testing temperature, with a quite sensitive drop of the Young's modulus, the Yield stress as the temperature was raised. The isothermal fatigue life dropped of markedly (approximately 10 times) when the testing temperature is raised from 120 to 280 °C, under strain control. From the themomechanical in-phase cyclic tests, with temperature varying from (120 to 280 oC), it was possible to observe that life is quite similar to the isothermal fatigue test at 280 oC. In this case, the more sensitive damage caused the in-phase mechanical and thermal cycle take place at the highest temperature. Relaxation tests indicated two distinct behaviors, with the temperature of 240°C being a threshold. At lower temperatures, the material hardens cyclically whereas it softens cyclically at higher temperatures. From the fatigue crack growth results, it was observed that temperature and wave shape has a strong influence on the crack growth rate as well as on the stress intensity threshold. Considering sinusoidal wave shape (10 Hz), as the temperature increased the DKth decreased and the crack propagation rate increased. However, the rate as da/dN change with temperature is quite similar, as an indicative that the micromechanism of crack growth has not changed due to the high frequency used, and it was due only to loss of mechanical strength. An elastic-visco-plastic non-isothermal constitutive law was identified for the material. For the cast material studied in this work, the mechanical behavior parameters are statistically distributed. However, it was shown that the model was able to reproduce, with a reasonable approximation, the stress - strain relationship at different temperatures, for the isothermal and anisothermal cases.

Low temperature cleavage fracture behaviour was investigated using four experimental microalloyed bainitic plate steels. The four plate samples were produced by different thermomechanical processing (TMP) schedules and had yield strengths in the range 540 - 670 MPa. Microstructures were characterized by optical microscopy (OM), scanning electron microscopy (SEM) and electron back scattered diffraction (EBSD). Quantitative data was obtained for prior austenite grain (PAG) size, volume fractions of two bainite types (conventional bainite and acicular ferrite) and EBSD 15° domain size. Charpy impact tests (using two notch orientations) were carried out over a range of temperatures. Cleavage facet sizes were measured on -196°C Charpy samples. The range of TMP schedules produced variations in PAG width, type of bainite and 15° domain size. The effects of these three microstructural features on cleavage crack propagation are discussed. Results indicate that the microstructures are controlled by i) deformation below TNR and ii) accelerated cooling rate. Domain structure reflects TMP. There is no clear correlation between domain size and cleavage facet size. / Thesis (Master, Mechanical and Materials Engineering) -- Queen's University, 2009-07-30 19:17:01.25

A new type of cantilever beam gyroscope is introduced, modeled, and analyzed. The main structure includes a cantilever beam and a rigid body attached to the free end of the beam. The model accounts for the eccentricity, that is the offset of the center of mass of the rigid body relative to the beam's free end. The first and second moments of mass and the rotary inertia appear in the equations of motion and boundary conditions. The common mechanism of electrostatic actuation of microgyroscopes is used with the difference of computing the force at the center of mass resulting in the electrostatic force and moment in the boundary conditions. By using the extended Hamilton's principle, the method of assumed modes, and Lagrange's differential equations, the equations of motion, boundary conditions, and the discretized model are developed. The generalized model simplifies to other beam gyroscope models by setting the required parameters to zero. Considering the DC and AC components of the actuating and sensing methods, the response is resolved into the static and dynamic components. The static configuration is studied for an increasing DC voltage. For the uncoupled system of equations, the explicit equation relating the DC load and the static configuration is computed and solved for the static configuration of the beam-rigid body in each direction. Including the rotation rate, the stationary analysis is performed, the stationary pull-in voltage is identified, and it is shown that the angular rotation rate does not affect the static configuration. The modal frequencies of the beam-rigid body gyroscope are studied and the instability region due to the rotation rate is computed. It is shown that the gyroscope can operate in the frequency modulation mode and the amplitude modulation mode. To operate the beam-rigid body gyroscope in the frequency modulation mode, the closed-form relation of the observed modal frequency split and the input rotation rate is computed. The calibration curves are generated for a variety of DC loads. It is shown that the scale factor improves by matching the zero rotation rate natural frequencies. The method of multiple scales is used to study the reduced-order nonlinear dynamics of the oscillations around the static equilibrium. The modulation equations, the ``slow'' system, are derived and solved for the steady-state solutions. The computational shooting method is employed to evaluate the results of the perturbation method. The frequency response and force response plots are generated. For combinations of parameters resulting in a single-valued response, the two methods are in excellent agreement. The synchronization of the response occurs in the sense direction for initially mismatched natural frequencies. The global stability of the system is studied by drawing phase-plane diagrams and long-time integration of response trajectories. The separatrices are computed, the jump phenomena is numerically shown, and the dynamic pull-in of the response is demonstrated. The fold bifurcation points are identified and it is shown that the response jumps to the higher/lower branch beyond the bifurcation points in forward/backward sweep of the amplitude and the excitation frequency of AC voltage. The mechanical-thermal (thermomechanical) noise effect on the sense response is characterized by using a linear approximation of the system and the nonlinear "slow" system obtained by using the method of multiple scales. To perform linear analysis, the negligible effect of Coriolis force on the drive amplitude is discarded. The second-order drive resonator is solved for the drive amplitude and phase. Finding the sense response due to the thermal noise force and the Coriolis force and equating them computes the mechanical-thermal noise equivalent rotation rate in terms of system parameters and mode shapes. The noise force is included in the third-order equation of the perturbation and equation to account for that in the reduced-order nonlinear response. The numerical results of linear and reduced-order nonlinear thermal noise analyses agree. It is shown that higher quality factor, higher AC voltage, and operating at lower DC points result in better resolution of the microsensor.

The current trend in electronics manufacturing is to decrease the size of electronic components while attempting to increase processing power and performance. This is leading to increased interest in thinner printed wiring boards and finer line widths and wire pitches. However, mismatches in the thermomechanical properties of materials used can lead to warpage, hindering these goals. Warpage can be problematic as it leads to misalignments during package assembly, reduced tolerances, and a variety of operational failures. Current warpage prediction techniques utilize isotropic volume averaging to estimate effective material properties in layers of copper mixed with interlayer dielectric material. However, these estimates do not provide material properties with sufficient accuracy to predict warpage, as they contain no information about the orientation of the copper traces. This thesis describes the development of a new technique to predict the warpage of a particular substrate. The technique accounts for both the trace pattern planar density and planar orientation in determining effective orthotropic material properties for each layer of a multi-layer substrate. Starting with the trace pattern image, this technique first divides the trace pattern into several smaller areas for a given layer of the substrate and then uses image processing techniques to determine the copper percentage and average trace orientation in each small area. The copper percentage and average trace direction orientation are used in conjunction with the material properties of copper and the dielectric material to calculate the effective orthotropic material properties of each smaller area of the substrate. A finite-element model is then created where each layer is represented as a concatenation of several small areas with independent directional properties, and such a model is then subjected to sequential thermal excursion as seen in the actual fabrication process. The results from the models have been compared against experimental data with a great degree of accuracy. The modeling technique and the results obtained clearly demonstrate the need for the proposed subdivisional orthotropic material property calculations, as opposed to homogeneous isotropic properties typically used for each layer in computational simulations, as these more accurate directional properties are capable of predicting warpage with higher accuracy.

Due to the extreme operating conditions present in the combustion sections of gas turbines, designers have relied heavily on specialized engineering materials. For blades, which must retain substantial strength and resistance to fatigue, creep, and corrosion at high temperatures, directionally-solidified (DS) nickel-base superalloys have been used extensively. Complex thermomechanical loading histories makes life prediction for such components difficult and subjective. Costly product inspection and refurbishment, as well as capital expense required in turbine forced outage situations, are significant drains on the resources of turbine producers. This places a premium on accurate endurance prediction as the foundation of viable long-term service contracts with customers. In working towards that end, this work characterizes the behavior of the blade material CM247LC DS subjected to a variety of in-phase (IP) and out-of phase (OP) loading cycles in the presence of notch stress concentrations. The material response to multiaxial notch effects, highly anisotropic material behavior, time-dependent deformation, and waveform and temperature cycle characteristics is presented. The active damage mechanisms influencing crack initiation are identified through extensive microscopy as a function of these parameters. This study consisted of an experimental phase as well as a numerical modeling phase. The first involved conducting high temperature thermomechanical fatigue (TMF) tests on both smooth and notched round-bar specimens to compile experimental results. Tests were conducted on longitudinal and transverse material grain orientations. Damage is characterized and conclusions drawn in light of fractography and microscopy. The influences of microstructure morphology and environmental effects on crack initiation are discussed. The modeling phase utilized various finite element (FE) simulations. These included an anisotropic-elastic model to capture the purely elastic notch response, and a continuum-based crystal visco-plastic model developed specifically to compute the material response of a DS Ni-base superalloy based on microstructure and orientation dependencies. These FE simulations were performed to predict and validate experimental results, as well as identify the manifestation of damage mechanisms resulting from thermomechanical fatigue. Finally, life predictions using simple and complex analytical modeling methods are discussed for predicting component life at various stages of the design process.

Lors de l'opération d’usinage à grande vitesse, la résistance à l'usure des outils de coupe est améliorée par l’utilisation des revêtements mono ou multicouches sur les faces actives de l’outil. Cependant, le chargement thermomécanique généré à l'interface outil-pièce affecte considérablement les zones de contact. Par cet effet, plusieurs modes d'usure tels que la fissuration, l’abrasion, l’adhésion et le délaminage du revêtement peuvent se manifester. L'étude du comportement des revêtements et de leurs différents modes de dégradation permet de mieux comprendre leur impact sur la durée de vie de l'outil et ainsi optimiser le procédé d'usinage. Dans ce travail de thèse, une approche numérique multi-étapes a été proposée pour prédire l'usure des outils de coupe revêtus. Cette approche est composée par trois principales étapes. La première consiste à effectuer une simulation éléments finis de l’usinage pour une courte durée (jusqu’à la stabilisation du chargement à l’interface outil/pièce). La deuxième étape consiste à récupérer ce chargement et de l’utiliser comme une entrée du modèle XFEM/Level-set. Ce dernier permet d’analyser le comportement des couches de revêtement sans recours à un maillage conforme aux interfaces. Par conséquence, la distorsion du maillage est évitée lorsque le profil d'outil usé est mis à jour, ainsi que le temps de calcul CPU est drastiquement réduit. La dernière étape de cette approche consiste à calculer le taux d’usure et ainsi prédire le déplacement des nœuds de l’outil de coupe affectés par l’usure. Les essais expérimentaux ont permis d’une part d’identifier les paramètres de contact outil/pièce, et d’autre part de valider l’approche proposée / In high speed machining, wear resistance of the cutting tools is improved by depositing single or multilayered coatings on their surface. However, the thermomechanical loading generated at the tool-workpiece interface greatly affects the contact zones. For this purpose, several wear modes such as cracking, abrasion, adhesion and delamination of the coating can be occurred. The study of the coatings behavior and their different degradation modes lead to better understanding of their impact on the tool life and machining process under optimal conditions. In this PhD thesis work, a multi-step numerical approach has been proposed to predict wear of the coated cutting tools. This approach involves three main steps. The first is to perform a finite element simulation of the orthogonal cutting for a short time (until the loading stabilization at the tool/workpiece interface). The second step is to recover this loading and use it as an input for the XFEM/Level-set model. The latter allow to take into account the coating layers presence without any need of mesh conforming to the interfaces. As a result, the mesh distortion is avoided when the worn tool profile is updated, as well as the CPU calculation time is drastically reduced. The final step of this approach is to convert the wear rate equation into a nodal displacement, thus representing the cutting tool wear. Based on the experimental tests, a procedure for identifying tool/workpiece contact parameters, and for calibrating the wear equation for each coating layer has been proposed. Experimental trials have been also used to validate the proposed approach