abstract: Damage detection in heterogeneous material systems is a complex problem and requires an in-depth understanding of the material characteristics and response under varying load and environmental conditions. A significant amount of research has been conducted in this field to enhance the fidelity of damage assessment methodologies, using a wide range of sensors and detection techniques, for both metallic materials and composites. However, detecting damage at the microscale is not possible with commercially available sensors. A probable way to approach this problem is through accurate and efficient multiscale modeling techniques, which are capable of tracking damage initiation at the microscale and propagation across the length scales. The output from these models will provide an improved understanding of damage initiation; the knowledge can be used in conjunction with information from physical sensors to improve the size of detectable damage. In this research, effort has been dedicated to develop multiscale modeling approaches and associated damage criteria for the estimation of damage evolution across the relevant length scales. Important issues such as length and time scales, anisotropy and variability in material properties at the microscale, and response under mechanical and thermal loading are addressed. Two different material systems have been studied: metallic material and a novel stress-sensitive epoxy polymer. For metallic material (Al 2024-T351), the methodology initiates at the microscale where extensive material characterization is conducted to capture the microstructural variability. A statistical volume element (SVE) model is constructed to represent the material properties. Geometric and crystallographic features including grain orientation, misorientation, size, shape, principal axis direction and aspect ratio are captured. This SVE model provides a computationally efficient alternative to traditional techniques using representative volume element (RVE) models while maintaining statistical accuracy. A physics based multiscale damage criterion is developed to simulate the fatigue crack initiation. The crack growth rate and probable directions are estimated simultaneously. Mechanically sensitive materials that exhibit specific chemical reactions upon external loading are currently being investigated for self-sensing applications. The "smart" polymer modeled in this research consists of epoxy resin, hardener, and a stress-sensitive material called mechanophore The mechanophore activation is based on covalent bond-breaking induced by external stimuli; this feature can be used for material-level damage detections. In this work Tris-(Cinnamoyl oxymethyl)-Ethane (TCE) is used as the cyclobutane-based mechanophore (stress-sensitive) material in the polymer matrix. The TCE embedded polymers have shown promising results in early damage detection through mechanically induced fluorescence. A spring-bead based network model, which bridges nanoscale information to higher length scales, has been developed to model this material system. The material is partitioned into discrete mass beads which are linked using linear springs at the microscale. A series of MD simulations were performed to define the spring stiffness in the statistical network model. By integrating multiple spring-bead models a network model has been developed to represent the material properties at the mesoscale. The model captures the statistical distribution of crosslinking degree of the polymer to represent the heterogeneous material properties at the microscale. The developed multiscale methodology is computationally efficient and provides a possible means to bridge multiple length scales (from 10 nm in MD simulation to 10 mm in FE model) without significant loss of accuracy. Parametric studies have been conducted to investigate the influence of the crosslinking degree on the material behavior. The developed methodology has been used to evaluate damage evolution in the self-sensing polymer. / Dissertation/Thesis / Doctoral Dissertation Mechanical Engineering 2014

Additive manufacturing (AM) is a general name used for manufacturing methods which have the capabilities of producing components directly from 3D computeraided design (CAD) data by adding material layer-by-layer until a final componentis achieved. Included here are powder bed technologies, laminated object manufacturing and deposition technologies. The latter technology is used in this study. Laser Metal Powder Deposition (LMPD) is an AM method which builds components by fusing metallic powder together with a metallic substrate, using a laser as energy source. The powder is supplied to the melt-pool, which is created by the laser, through a powder nozzle which can be lateral or coaxial. Both the powder nozzle and laser are mounted on a guiding system, normally a computer numerical control (CNC) machine or a robot. LMPD has lately gained attentionas a manufacturing method which can add features to semi-finished components or as a repair method. LMPD introduce a low heat input compared to conventional arc welding methods and is therefore well suited in, for instance, repair of sensitive parts where too much heating compromises the integrity of the part. The main part of this study has been focused on correlating the main process parameters to effects found in the material which in this project is the superalloy Alloy 718. It has been found that the most influential process parameters are the laser power, scanning speed, powder feeding rate and powder standoff distance.These process parameters have a significant effect on the temperature history ofthe material which, among others, affects the grain structure, phase transformation, and cracking susceptibility of the material. To further understand the effects found in the material, temperature measurements has been conducted using a temperature measurement method developed and evaluated in this project. This method utilizes a thin stainless steel sheet to shield the thermocouple from the laser light. This has proved to reduce the influence of the laser energy absorbed by the thermocouples.

Ce travail de thèse porte sur la modélisation du procédé de sertissage de contacts électriques sur des câbles à destination d'applications aéronautiques et de la tenue à l'arrachement des contacts sertis. Le sertissage est un assemblage par déformation plastique du contact électrique (composant) sur un câble multibrin. Deux types de technologies de sertissage sont traités. La technologie cuivre, couramment utilisée chez les industriels, met en jeux un contact de cuivre et un câble de cuivre composé de 19 brins. La technologie aluminium, mise au point ces dernières années pour limiter le poids des aéronefs, est caractérisée par l'assemblage d'un câble de 7 brins avec un contact en cuivre au travers d'une liaison électrique et d'une liaison d'étanchéité. Dans un premier temps, la caractérisation des paramètres de loi de comportement élastoplastique des matériaux est faite. La détermination des moyens d'essais appropriés, directement impactée par la faible dimension (ordre millimétrique) de nos échantillons, est suivie d'une analyse détaillée des résultats. Le recours à l'analyse inverse d'essais non normalisés est privilégié. Les résultats des différentes analyses sont validés indépendamment du sertissage. Dans un second temps, les étapes de mise au point des simulations de sertissage sont abordées de façon précise. Pour ce type de modèles fortement multi domaines, l'étude de l'influence des interactions est conduite. La détermination des paramètres de profondeur de sertissage est développée pour chaque technologie. Les premiers résultats de simulation sont discutés pour réduire les temps de calculs. Finalement, le modèle numérique développé est utilisé pour simuler le sertissage de contacts et l'arrachement de contacts sertis dans différentes configurations. L'étude de paramètres géométriques (diamètre des brins, diamètres des contacts, pas de torsadage des câbles), rhéologiques (cuivre standard, ayant subi un recuit insuffisant ou trop important) ou mécaniques (sous-sertissage, sur-sertissage) est faite pour vérifier l'influence sur les efforts de sertissage et les mécanismes de rupture à l'arrachement. Cette étude complète a pour objectif de valider des domaines de validité du sertissage. Celles-ci permettront aux industriels de vérifier la validité d'un sertissage en temps réel, en les comparant aux courbes d'efforts expérimentales par l'intermédiaire d'une pince électronique / This thesis focuses on the modeling of the aeronautical electrical contact crimping process for aircraft applications and the crimped contact mechanical holding. Electrical crimping is a plastic deformation process of a contact (component) on a multi-strand wire. Two types of crimping technologies are studied. The copper technology, widely used in the industry, is characterized by the assembly of a copper contact and a 19 strands copper cable. The aluminum technology, which has been recently developed to reduce the aircraft weight, is characterized by the assembly of a copper contact with a 7 strands cable through two electrical and sealing crimpings. At first, the elastoplastic parameters characterizations of the materials constitutive laws are made. The appropriate testing facilities determination, directly impacted by the small size (millimeter order) of our samples, is followed by a detailed results analysis. The non-standard tests inverse analysis use is preferred. The whole analyzes results are validated, regardless of the process itself. In a second step, the crimping simulation development steps are accurately performed. For this highly multi-model fields type, the study of the interactions influence is conducted. Determining the crimping indentation depth parameters is developed for each technology. The first simulation results are discussed to reduce computation time. Finally, the developed numerical model is used to simulate the contacts crimping and the mechanical holding over various configurations. The geometrical (strands diameter, contact diameter, twisting thread cables), rheological (standard copper having been insufficiently or excessively annealed) or mechanical (under-crimping, over-crimping) parameters study are made to check their influences on the crimping forces and the failure mechanisms while pulling. This study aims to validate the crimping efficiency. The manufacturers could be able to check in real time the crimping validity by comparing the experimental crimping force curves to validity curves integrated in an electronic crimping tool.

Previously great attention has been given for the quality of the track super structure to improve the overall performance of the railway. Frequent research on the track supporting materials shows a good result which improves the existing overall performance. Good ride quality with high speed, minimum initial construction capital, long life service and low maintenance cost are the issue on the railway technology. Ballast is one of the determinant parts of the railway structure which has great influence on the performance of the railway track. The aim of this project is to assess the different aspects which affect the overall performance on the ballast structure, its material characterization, gradation, failure modes and modelling techniques. Quality based ballast material characteristics investigation and proper selection of ballast gradation with proper modelling methods will lead to an economical, minimum defect, minimum maintenance and replacement cost.

Hot Electron Nanoscopy and Spectroscopy (HENs) is a current-sensing AFM technique recently developed in our lab, which have proven a new kind of response on conduction at the nanometer scale, casting a new light for the comprehension of electronic states in nanomaterials. Direct imaging of DNA structure has long been investigated, with the development of HENs technology, more structural information about DNA could be revealed by simultaneous measurements of height, phase, Raman signal, and conductivity. With the aim of applying it for the first time on biological molecules, customized double-stranded DNA sequences, including thiol-modified oligonucleotides are designed to create preferential conductive paths through the basis as a benchmark system for the technique on biomolecules. This work aims to a final goal to characterize hot-electron current between gold tip and thiol modified DNA which ideally is covalently bonded to the gold surface and optimized for the application. In this work, high density of DNA absorbed by SERS active gold surface with atomic flat islands has been prepared for HENs application. The samples have been characterized by AFM, SKPM and Raman Spectroscopy, as non-destructive and controlled interactive image analysis. High-resolution images of DNA have been acquired, S-S and Au-S bonding of DNA anchored on SERS active gold substrate are also visible with Surface-enhanced Raman and Tip-enhanced Raman signals. A submolecular feature has also been found in both topographical and electrical results. Herein, we report the synthesis and characterization steps to obtain the optimized operation standard.

As an important part of the periodic table, metal elements have attracted widespread attention due to their special physical and chemical properties, as well as effective functionalities. Many metals at the nanoscale level exhibit a wide array of applications, ranging from catalysis to photonics, electronics, energy conversion/storage, and medicine. To obtain a more effective functionality in application, it is indispensable to synthesize uniform metal nanoparticles with well-defined size, morphology, composition, and crystal structures. In this dissertation, we will demonstrate high-boiling point solvent method for synthesizing metal nanocrystals, ranging from single metal nanocrystals (e.g., iridium (Ir), ruthenium (Ru), germanium (Ge), bismuth (Bi)) to binary metal nanocrystals (e.g., Sn-Ge), and ternary intermetallic compounds (e.g., Pt1-xPdxBi). By varying different halogen ions, we can get different morphologies of metal nanocrystals. We will further study the catalytic effect of Pd metal nanocrystals supported on silicon spheres and realize the hydrodeoxygenation reaction of vanillin under mild conditions.First, we used bismuth as an example to study the shape-controlled synthesis of metal nanocrystals by adjusting the injection temperature and the added halide ions (e.g., Cl-, Br-). Our findings indicated that due to the different electronegativities, halide ions are selectively adsorbed on specific crystal planes during the growth of Bi NCs, leading to different morphologies. Then we proposed a tungsten hexacarbonyl (W(CO)6)-assisted reduction strategy for obtaining uniform metal nanoparticles (e.g., Ir, Ru, Ge, Bi) of different metal salts. This strategy was extended to the synthesis of uniform binary metal (e.g., Sn-Ge) nanoparticles, which we can get tunable bandgap (0.51 eV to 0.72 eV) based on the controlled reaction of Ge2+ precursor solution with uniform tin (Sn) nanocrystals (NCs) as the template. Next, we realized the synthesis of intermetallic Pt1-xPdxBi nanoplates with controllable compositions, including Pt0.5Pb0.5Bi, Pt0.25Pd0.75Bi, and Pt0.75Pd0.25Bi via the sequential complexation-reduction-sorting method. Furthermore, we used palladium (Pd) metal nanoparticles (NPs) as a photocatalyst to trigger the hydrodeoxygenation reaction of vanillin. We demonstrated a model to disperse free-standing Pd NP on dielectric silica nanospheres (SiOx NSs). The spherical shape of SiOx can cause scattering resonance, thereby enhancing the local electric field on or near the surface to enhance light absorption of Pd NPs, further realizing a more effective catalyze on chemical reactions. We found that the adsorption of H2 on Pd is too strong to support the reaction effectively, but light absorption can reduce the "poisoning effect" by weakening the adsorption of hydrogen on Pd surface. Overall, we use innovative strategies to effectively synthesize a variety of high-quality metal nanomaterials. Our work shows that the Pd-NP/SiOx-NS composite nanostructure using dielectric SiOx as an optical nanoantenna is a promising photocatalyst that can drive photonic chemical conversion with high efficiency. / Chemistry

Scania provides sustainable transport systems powered by bioethanol, biogas, biodiesel along with hybrid and conventional solutions. Today Scania offers the largest variety of engines operating on alternative fuels in the market. The number of the alternative fuel operated vehicles sold in 2016 increased by 40 % [1]. Nevertheless, one of the alternative fuels – biodiesel - is a source of inorganic contaminants. These impurities can detrimentally affect the diesel truck after-treatment system that is responsible for harmful emission abatement. As a consequence, better understanding of the alternative fuel impact on the after-treatment system is necessary for further development of a sustainable transportation system. This thesis is focused on the diesel oxidation catalyst (DOC) that is one of the major components in the diesel truck after-treatment system. Catalyst performance due to chemical deactivation of biodiesel derived inorganic contaminants (P, Na and Ca) is determined and analysed. The study covers PtPd/Al 2O3 DOC preparation and poisoning by the incipient wetness impregnation method, monolith dip-coating, fresh and poisoned catalyst characterization (BET, CO chemisorption, TPR, ICP-OES, TEM-EDS, SEM-EDS, XRD). Catalyst activity tests in a laboratory scale activity testing rig are performed to study carbon monoxide, nitric oxide and propylene oxidation reactions before and after the poisoning. Sulphur effect on the catalyst activity is determined after the gas-phase poisoning with SO2.

The main goal of this dissertation is to introduce and demonstrate a new method for the rapid determination of the nonlinear absorption spectra and the dispersion of the nonlinear refraction of optical materials in the visible and near IR spectral regions. However, conventional methods like, white-light continuum pump-probe and Z-scan techniques were used to measure the peak 2PA cross-sections for a number of commercially available photoinitiators. In the new method mentioned above, a high energy, broadband femtosecond white-light continuum is used to replace the single wavelength source conventionally used in a Z-scan experiment. In a Z-scan experiment, the transmittance of a focused beam through a sample is monitored as the sample travels through the focus, in the Z direction, along the focused beam. Providing the sample exhibits nonlinear absorption and/or refraction, the detector monitors a change in transmittance and/or a change in the beam divergence (if the energy is partially collected through an aperture in front of the detector). Replacing the single wavelength source with a white-light continuum allows for a much faster way of measuring nonlinear absorption/refraction spectra. This could eliminate the need for using other tunable sources (e.g. Optical Parameter Generators/Amplifiers) for nonlinear measurements. These sources made nonlinear spectroscopy using Z-scan experiments a time consuming task. This new source/method allows for rapid and simultaneous measurement of the nonlinear absorption spectrum and the dispersion of the nonlinear refraction. We have confirmed the functionality of the continuum as a source for nonlinear optical characterization of materials by using it to perform Z-scans on the well characterized semiconductors ZnSe and ZnS and on solutions of organic dyes.

Incineration of municipal solid waste (MSW) is common for energy recovery, and management of municipal solid waste incineration (MSWI) ashes has received a growing attention around the world. In the U.S., generation of MSW has increased up to 65% since 1980, to the current level of 251 million tons per year with 53.8% landfilled, 34.5% recycled and composted, and 11.7% incinerated with energy recovery. In the process of incineration, MSWI ash is being produced as byproducts; about 80 to 90% of the MSWI ash is bottom ash (BA) and 10 to 20% is fly ash (FA) by weight. The current practice of the U.S. is to combine both BA and FA to meet the criteria to qualify as non-hazardous, and all combined ashes are disposed in landfills. European countries have utilized MSWI BA as beneficial construction materials by separating it from FA. The FA is mostly limited to landfill disposal as hazardous material due to its high content of toxic elements and salts. BA has been actively recycled in the areas of roadbed, asphalt paving, and concrete products in many of European and Asian countries. In those countries, recycling programs (including required physical properties and environmental criteria) of ash residue management have been developed so as to encourage and enforce the reuse of MSWI ashes instead of landfill disposal. Moreover, many studies have demonstrated the beneficial use of MSWI ashes as engineering materials with minimum environmental impacts. On the other hand, the U.S. has shown a lack of consistent and effective management plans, as well as environmental regulations for the use of MSWI ashes., Due to persistent uncertainty of engineering properties and inconsistency in the Federal and State regulations in the U.S., however, the recycling of the MSWI ashes has been hindered and they are mostly disposed in landfills. In this research work, current management practice, existing regulations, and environmental consequences of MSWI ashes utilization are comprehensively reviewed worldwide and nationwide with an emphasis of the potential area of its utilization in asphalt paving and concrete product. This research also entails a detailed chemical and microstructural characterization of MSWI BA and FA produced from a Refuse Derived Fuel (RDF) facility in Florida so that the MSWI ash is well characterized for its beneficial uses as construction materials. The material characterization includes Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDS), and X-ray Diffraction (XRD) techniques. In addition, leaching experiments have been conducted to investigate the environmental properties (e.g. leachate concentration) of BA and ash-mixed hot mix asphalt (HMA) and Portland cement concrete (PCC). Leaching results reveals the reduced leaching potential of toxic material from MSWI ashes while incorporated in HMA and PCC. Lastly, a preliminary experimental approach has been devised for the vitrification of FA which is a promising thermal process of transferring material into glassy state with higher physical and chemical integrity to reduce toxicity so that utilization of FA can be possible.

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