The motivations for the research issues addressed in this thesis are based on the needs of the aerospace structural analysis and the design community. The specific focus is related to the characterization and shock induced chemical reactions of multi-functional structural-energetic materials that are also know as the reactive structural materials and their reaction capabilities. Usually motivation for selection of aerospace structural materials is to realize required strength characteristics and favorable strength to weight ratios. The term strength implies resistance to loads experienced during the service life of the structure, including resistance to fatigue loads, corrosion and other extreme conditions. Thus, basically the structural materials are single function materials that resist loads experienced during the service life of the structure. However, it is desirable to select materials that are capable of offering more than one basic function of strength. Very often, the second function is the capability to provide functions of sensing and actuation. In this thesis, the second function is different. The second function is the energetic characteristics. Thus, the choice of dual functions of the material are the structural characteristics and energetic characteristics. These materials are also known by other names such as the reactive material structures or dual functional structural energetic materials. Specifically the selected reactive materials include mixtures of selected metals and metal oxides that are also known as thermite mixtures, reacting intermetallic combinations and oxidizing materials. There are several techniques that are available to synthesize these structural energetic materials or reactive material structures and new synthesis techniques constitute an open research area. The focus of this thesis, however, is the characterization of chemical reactions of reactive material structures that involve two or more solids (or condensed matter). The subject of studies of the shock or thermally induced chemical reactions of the two solids comprising these reactive materials, from first principles, is a relatively new field of study. The published literature on ab initio principles or quantum mechanics based approach contains the ab initio or ab initio-molecular dynamics studies in related fields of a solid and a gas. One such study in the literature involves a gas and a solid. This is an investigation of the adsorption of gasses such as carbon monoxide (CO) on Tungsten. The motivation for these studies is to synthesize alternate or synthetic fuel technology by Fischer-Tropsch process. In this thesis these studies are first to establish the procedure for solid-solid reaction and then to extend that to consider the effects of mechanical strain and temperature on the binding energy and chemisorptions of CO on tungsten. Then in this thesis, similar studies are also conducted on the effect of mechanical strain and temperature on the binding energies of Titanium and hydrogen. The motivations are again to understand the method and extend the method to such solid-solid reactions. A second motivation is to seek strained conditions that favor hydrogen storage and strain conditions that release hydrogen easily when needed. Following the establishment of ab initio and ab initio studies of chemical reactions between a solid and a gas, the next step of research is to study thermally induced chemical reaction between two solids (Ni+Al). Thus, specific new studies of the thesis are as follows: 1. Ab initio Studies of Binding energies associated with chemisorption of (a) CO on W surfaces (111, and 100) at elevated temperatures and strains and (b) adsorption of hydrogen in titanium base. 2. Equations of state of mixtures of reactive material structures from ab initio methods 3. Ab initio studies of the reaction initiation, transition states and reaction products of intermetallic mixtures of (Ni+Al) at elevated temperatures and strains. 4. Press-cure synthesis of Nano-nickel and nano-aluminum based reactive material structures and DTA tests to study experimentally initiation of chemical reactions, due to thermal energy input.

NiTi is the most commonly used shape memory alloy (SMA) and has been widely used for bio-medical, electrical and mechanical applications. Nickel rich NiTi shape memory alloys are coming into prominence due to their distinct superelasticity and shape memory properties as compared to near equi-atomic NiTi shape memory alloys. Besides, their lower density and higher work output than steels makes these alloys an excellent candidate for aerospace and automotive industry. Shape memory properties and phase transformation behavior of high Ni-rich Ni54Ti46 (at.%) polycrystals and Ni-rich Ni51Ti49 (at.%) single-crystals are determined. Their properties are sensitive to heat treatments that affect the phase transformation behavior of these alloys. Phase transformation properties and microstructure were investigated in aged Ni54Ti46 alloys with differential scanning calorimetry (DSC) and transmission electron microscopy (TEM) to reveal the precipitation characteristics and R-phase formation. It was found that Ni54Ti46 has the ability to exhibit perfect superelasticity under high stress levels (~2 GPa) with 4% total strain after 550°C-3h aging. Stress independent R-phase transformation was found to be responsible for the change in shape memory behavior with stress. The shape memory responses of [001], [011] and [111] oriented Ni51Ti49 single-crystals alloy were reported under compression to reveal the orientation dependence of their shape memory behavior. It has been found that transformation strain, temperatures and hysteresis, Classius-Clapeyron slopes, critical stress for plastic deformation are highly orientation dependent. The effects of precipitation formation and compressive loading at selected temperatures on the two-way shape memory effect (TWSME) properties of a [111]-oriented Ni51Ti49 shape memory alloy were revealed. Additionally, aligned Ni4Ti3 precipitates were formed in a single crystal of Ni51Ti49 alloy by aging under applied compression stress along the [111] direction. Formation of a single family of Ni4Ti3 precipitates were exhibited significant TWSME without any training or deformation. When the homogenized and aged specimens were loaded in martensite, positive TWSME was observed. After loading at high temperature in austenite, the homogenized specimen did not show TWSME while the aged specimen revealed negative TWSME.

Ultrathin film nanocomposites are becoming increasingly important for specialized performance of commercial coatings. Critical challenges for ultrathin film nanocomposites include their synthesis and characterization as well as their performance properties, including surface roughness, optical properties (haze, refractive index as examples), and mechanical properties. The objective of this work is to control the surface roughness of ultrathin film nanocomposites by changing the average particle size and the particle volume fraction (loading) of monomodal particle size distributions. This work evaluated one-layer and two-layer films for their surface properties. Monodispersed colloidal silica nanoparticles were incorporated into an acrylate-based monomer system as the model system. Ultrathin nanocomposites were prepared with three different size colloidal silica (13, 45, and 120 nm nominal diameters) at three different particle loadings (20, 40, and 50 vol. % inorganic solids). Silica particles were characterized using DLS and TEM. AFM was used to measure the root mean square roughness (Rq), ΔZ, and location-to-location uniformity of one-layer and two-layer nanocomposite coatings. Developing an understanding about the properties affected by the type and amount of particles used in a nanocomposite can be used as a tool with nanocharacterization techniques to quickly modify and synthesize desired ultrathin film coatings.

Ferritic superalloys strengthened by coherent ordered NiAl B2-type precipitates are promising candidates for ultra-supercritical steam-turbine applications, due to their superior resistance to creep, coarsening, oxidation, and steam corrosion as compared to Cr ferritic steels at high temperatures. Combined computational and experimental tools have been employed to investigate the interrelationships among the composition, microstructure, and mechanical behavior, and provide insight into deformation micromechanisms at elevated temperatures. Self and impurity diffusivities in a body-centered-cubic (bcc) iron are calculated using first-principles methods. Calculated self and impurity diffusivities compare favorably with experimental measurements in both ferromagnetic and paramagnetic states of bcc Fe. The calculated impurity diffusivities of W and Mo are larger than the self diffusivity of Fe, mainly owing to the lower activation energies. The microstructural attributes of NiAl-type B2 precipitates are investigated in several designed ferritic superalloys. Ultra-small-angle X-ray scattering in conjunction with transmission electron microscopy is employed to quantify the average size, size distribution, inter-particle spacing, and volume fraction of the primary precipitates. It is observed that as the Al amount increases from 4 to 10 mass%, there is a decrease in the average inter-particle spacing and average particle diameter. An alloy with 6.5 weight percent Al exhibits the optimal creep resistance and an associated maximum Orowan stress at 973 K. The dislocations-particle interaction mode during the secondary creep regime is identified as a combination of Orowan looping and dislocation climb. In-situ neutron diffraction experiments during tensile and creep deformations reveal the intergranular and interphase load-sharing mechanisms during plastic deformation at elevated temperatures. The change of deformation mechanisms from dislocation slip below 773 K to power-law creep above 873 K is well captured by the evolution of the different lattice strains. High-temperature deformation above 873 K is possibly assisted by the relaxation processes, e.g., grain-boundary sliding and/or diffusional flow along grain boundaries and matrixparticle interfaces. The evolution of lattice strains during high-temperature deformation is further verified by crystal-plasticity finite-element simulations. The significant findings in the present work provide the crucial baseline information for further alloy optimization and improvement in high-temperature creep resistance of ferritic superalloys.

Multifunctional materials both with damping properties and strain sensing properties are very important. They promise to be more weight-efficient, and provide volume-efficient performance, flexibility and potentially, less maintenance than traditional multi-component brass-board systems. The goal of this dissertation work was to design, synthesize, investigate and apply polyaniline/Multiwall carbon nanotube (PANI/MWCNT) and polyurethane (PU) /MWCNT composites films for structural vibration control and strain sensors using free layer damping methods and static and dynamic strain sensing test methods. The PANI/MWCNT was made by in situ polymerization of PANI in the presence of MWCNT, then frit compression was used to make circular and rectangular PANI/MWCNT composite films. PU/MWCNT composites were made by the layer-by-layer method. Free end vibration test results showed both of PANI/MWCNT and PU/MWCNT have better damping ratios than each of their components. Static sensing test indicated that though there appears to be residual strain in both composite sensors after the load is removed, both the sensor and the foil strain gage react linearly when re-engaged. A drift test of the sensor showed that it is stable. The dynamic sensing test results showed that over the range of 10-1000 Hz, the PANI/MWCNT composite sensor was consistently superior to foil strain gage for sensing purposes since the highest peak consistently corresponded to the input frequency and was much higher, for example, at 20 Hz, 820 times higher than those of the strain gage. Using the same criterion, the PU/Buckypaper composite sensor was comparable to or superior to the foil strain gage for sensing purposes over the range of 10 Hz to 200 Hz. The relationship of loss factor, η, and beam coverage length, L1/L, is discussed for single sided and double sided attachment. For both PANI/MWCNT and PU/MWCNT, the loss factor, η, was found to increase as coverage length, L1/L, increases. The loss factor, η, was found to have a maximum as with coverage length, L1/L, as the coverage length continues to increase. The trend for double sided attachment was found to follow the trends discussed by Rao (2004) and Levy and Chen (1994) for viscoelastic material constrained damping.

Aluminum alloy 6061-T6 is a common engineering material used in aerospace, automotive, structural applications. Despite its wide use, little has been published about the effects of damage from surface corrosion on its fatigue life. An investigation was performed where 6061-T6 extrusions were exposed to a 3.5% NaCl solution at pH 2 for 2 days and 24 days. The length of time and pH were chosen in order to create distinct surface flaws. The effect of these flaws on the fatigue life was then investigated and analyzed using scanning electron microscopy (SEM) and Weibull statistics. It was determined that samples corroded for both 2-days and 24-days exhibit fatigue lives that can be described using a 3-parameter Weibull distribution. The result of which was the determination of a threshold value for fatigue as well a general understanding of flaw geometry.

Carbon fiber reinforced composites are utilized in many design applications where high strength, low weight, and/or high stiffness are required. While composite materials can provide high strength and stiffness-to-weight ratios, they are also more complicated to analyze due to their inhomogeneous nature. One important failure mode of composite structures is delamination. This failure mode is common when composite laminates are subject to impact loading. Various finite element methods for analyzing delamination exist. In this research, a modeling strategy based on contact tiebreak definitions in LS-DYNA®was used. A finite element model of a low-velocity impact event was created to predict delamination in a composite laminate. The resulting delamination relative size and shape was found to partially agree with analytical and experimental results for similar impact events, while the force-time plot agreed well with experimental results. A small difference in contact time in the simulation compared to experimental testing is likely due to the omission of composite failure modes other than delamination. Experimental impact testing and subsequent vibrothermography analysis showed delamination damage in locations shown in previous research. This confirmed the validity of vibrothermography as a nondestructive evaluation technique for analyzing post-impact delamination.

Composite materials offer a high strength-to-weight ratio and directional load bearing capabilities. Compression molding of composite materials yields a superior surface finish and good dimensional stability between component lots with faster processing compared to traditional manufacturing methods. This experimental compression molding capability was developed for the ME composites lab using unidirectional carbon fiber prepreg composites. A direct comparison was drawn between autoclave and compression molding methods to validate compression molding as an alternative manufacturing method in that lab. A method of manufacturing chopped fiber from existing unidirectional prepreg materials was developed and evaluated using destructive testing methods. The results from testing both the continuous and chopped fiber were incorporated into the design of a functionally graded hybrid continuous and chopped carbon fiber component, the manufacture of which resulted in zero waste prepreg material.

This study produced cross-laminated timber panels at a range of four lamina thickness (5/8, 1, 1 1/8, and 1 1/4 inch) and three bonding pressures (50, 125, 200 psi), producing a total of 12 panels for mechanical testing. The goal of this study is to observe how the thickness and pressure trends affect the mechanical properties of CLT. Tests include flatwise bending, flatwise shear, internal-bond, and delamination. Results showed that bending MOE decreases as the panel thickness increases while bonding pressure had no significance. Bending MOR was less significant for the thickness and more significant for pressure compared to the MOE. Shear tests showed strong inverse relationship between MOR and thickness while increasing pressure strongly increased MOR. Internal-bond testing showed no clear relationship between thickness or pressure. Delamination decreased as a result of higher pressures while thickness had no significant affect.

An experimental study of several variants of radius and strut angle of the body centered cubic unit cell was performed to determine the mechanical properties and failure mechanisms of the mesostructure. Quasi static compression tests were performed on an Instron® universal testing machine with a 50kN load cell at 0.2mm/min. The test samples were built using a SLM Solutions 125 selective laser melting machine with 316L stainless steel. Test specimens were based on 5mm cubic unit cells, with a strut diameter 10% of the unit cell size, with skins on top and bottom to provide a cantilever boundary constraint. Specimens were inspected for dimensional accuracy using precision calipers and inspected for morphology using a MicroVu® macroscope. The compressive properties of the mesostructure was compared to the compressive properties of macrostructure. The BCC unit cell behaves significantly different at the boundary layer of a constrained lattice. The failure mode at the boundary is characterized by plastic bending within the microstruts while the non boundary layer cells fail via plastic bending at the node. Manufacturing compensation parameters were determined for part shrinkage and droop. Two predictive numerical models were developed, based on the Gibson-Ashby model of cellular solids, as well as a finite element model. Numerical results did not agree well with the experimental results, indicating that the droop observed on the structures significantly affects the mechanical properties of the overall structure. The 25% radius cubic unit cell and 3^3 lattice withstood the greatest stress of all specimens tested and exhibited nearly ideal plastic deformation behavior.