The high temperature BCC phase (b) of titanium undergoes a martensitic transformation to HCP phase (a) upon cooling, but can be stabilized at room temperature by alloying with BCC transition metals such as Mo. There exists a metastable composition range within which the alloyed b phase separates into a + b upon equilibrium cooling but not when rapidly quenched. Compositional partitioning of the stabilizing element in as-quenched b microstructure creates nanoscale precipitates of a new simple hexagonal w phase, which considerably reduces ductility. These phase transformation reactions have been extensively studied experimentally, yet several significant questions remain: (i) The mechanism by which the alloying element stabilizes the b phase, thwarts its transformation to w, and how these processes vary as a function of the concentration of the stabilizing element is unclear. (ii) What is the atomistic mechanism responsible for the non-Arrhenius, anomalous diffusion widely observed in experiments, and how does it extend to low temperatures? How does the concentration of the stabilizing elements alter this behavior? There are many other w forming alloys that such exhibit anomalous diffusion behavior. (iii) A lack of clarity remains on whether w can transform to a -phase in the crystal bulk or if it occurs only at high-energy regions such as grain boundaries. Furthermore, what is the nature of the a phase embryo? (iv) Although previous computational results discovered a new wa transformation mechanism in pure Ti with activation energy lower than the classical Silcock pathway, it is at odds with the a / b / w orientation relationship seen in experiments. First principles calculations based on density functional theory provide an accurate approach to study such nanoscale behavior with full atomistic resolution, allowing investigation of the complex structural and chemical effects inherent in the alloyed state. In the present work, a model Ti-Mo system is investigated to resolve these fundamental questions. Particular attention is paid to how Mo- (i) influences the bonding in Ti, (ii) distorts the local structure in the Ti lattice, (iii) impacts the point and interfacial defect formation and migration energies, and (iv) affects the mechanism and energetics of b w and wa transformations. Our results are correlated with appropriate experimental results of our collaborators and those in open literature. The modification of Ti bonding by Mo solutes and the attendant distortion of the lattice hold the key to answering the diverse questions listed above. The solutes enhance electron charge density in the <111> directions and, consequently, stiffen the lattice against the displacements necessary for b w transformation. However, Ti atoms uncoordinated by Mo remain relatively mobile, and locally displace towards w lattice positions. This effect was further studied in a metastable Ti-8.3 at.% Mo system with an alternate cell geometry which allows for either b w or $\betaa transformation, and it was found that after minimization Ti atoms possessed either a or w coordination environments. The creation of this microstructure is attributed to both the disruption of uniform b w transformation by the Mo atoms and the overlap of Ti-Mo bond contractions facilitating atomic displacements to the relatively stable a or w structures in Mo-free regions. The vacancy migration behavior in such a microstructure was then explored. Additionally, several minimized configurations were created with planar interfaces between Mo-stabilized b region and its adjacent a- or w- phases, and it was found that the positioning of Mo at the interface strongly dictates the structure of the adjacent Mo depleted region.

Titanium alloys are employed in many advanced engineering applications due to their exceptional properties, i.e., a high strength-to-weight ratio, corrosion resistance, and high temperature strength. The performance of titanium alloys is known to be strongly affected by its inherent microstructure, which forms as a result of its thermo-mechanical processing. These microstructures produce compromise relationships between beneficial and detrimental effects on the alloy's performance. To study these structure-property relationships, two distinct crystal plasticity algorithms have been calibrated to data acquired from cyclic deformation experiments performed on three different Ti microstructures: (1) Ti-6Al-4V beta-annealed , (2) Ti-18 solution-treated, age-hardened (STA), and (3) Ti-18 beta-annealed, slow-cooled, age-hardened (BASCA). The calibrated models have been utilized to simulate fatigue loading of variant microstructures to investigate the influence of mean grain size, crystallographic texture, and phase volume fraction. The driving force for fatigue crack nucleation and propagation is quantified through the calculation of relevant fatigue indicator parameters (FIPs) and radial correlation functions are employed to study the correlation between favorably oriented slip systems and the extreme value FIP locations. The computed results are utilized to observe fatigue performance trends associated with changes to key microstructural attributes.

"The fire resistance of structural building elements has become an increasing concern after the terrorist attacks on September 11th, 2001. This concern has pushed for changes in the building codes and standards to incorporate a performance-based approach to design. Performance-based design is a process where fire safety solutions are determined using a representation of the actual fire stages that may occur in a structure during a fire event. The American Institute of Steel Construction (AISC) has added Appendix 4 in the Specification for Structural Steel Buildings to the current edition of the Steel Construction Manual to provide engineers with guidance in designing steel structures and components for fire conditions. The performance-based approach outlined in Appendix 4 is designed to prevent loss of life, structural collapse, and the outbreak of fires through elimination of ignition sources. Adopting this approach, requires structural engineers to have a better understanding of the behavior of steel connections under fire conditions as well as the tools, techniques and judgment for analysis. The focus of this thesis is to study the strength behavior of steel connections under fire conditions with the assistance of the finite element software, ALGOR. Connections of varying thickness and bolt patterns are constructed using the ALGOR pre-processing software. A time-temperature fire curve is combined with external loads, applied to the models and then analyzed in the program. Stress-strain diagrams are created using the results and yield loads are determined for the various connections at normal and elevated temperatures. These yield loads are compared to values found from a mathematical analysis of the limit state equations in Chapter J of the Specifications. The elevated models are created with temperature-dependent material properties, therefore the yield loads are associated with critical temperatures within the connection models. It is found that the capacity and governing temperature of the connections is determined by the limit state of bearing at the bolt hole. At elevated temperatures, the finite element analysis produces capacities significantly lower than the analysis at normal temperatures. "

Current research on thermal effects on guideways has addressed many aspects of the behavior of guideways using two-dimensional models. The two-dimensional models are acceptable for existing guideway designs, in which cross sectional shapes are uniform along the length of the guideway. However, three-dimensional models are necessary for a modular design, in which the track structures that interact with Maglev vehicles are made separately and are assembled into the support structure, and in which the cross sectional shapes are not uniform. A three-dimensional numerical model of the thermal environment, in which the effect of partial shading is taken into account, is implemented for the study of guideway behavior under various thermal environments. The numerical model of the thermal environment is calibrated to the experimental results under the thermal environment at Austin, Texas, and is extrapolated to predict the behaviors of guideways under the thermal environment in Las Vegas, Nevada, which is one of the candidate sites for the implementation and deployment of the high speed Maglev transportation system. This study addresses the suitability of a modular steel guideway design under such a thermal environment. Characteristics of the behavior of guideways under various thermal environments are identified, and the behavior of guideways under the effect of partial shading is summarized. / text