To better understand consequences of classical assumptions regarding deformation mechanisms at the mesoscale, experimental observations of mesoscale deformation are presented. In light of actual micrographics of deformed polycrystals, the Von Mises criterion which states that 5 independent plastic deformation sources are needed at each material point to satisfy compatibility is studied, and the consequences of violating this assumption are presented through comprehensive parametric studies. From these studies, it can be concluded that not only are 5 independent plastic deformation sources not needed or observed at each point, but if less than 5 sources are allowed to be active a new physical understanding of a mechanism for kinematic hardening emerges. Furthermore, for enhanced subgrain rotation and evolution the Von Mises criterion must be violated. The second focus of this work is looking at studies, experiments, and models of mesoscale deformation in order to better understand controlling deformation length scales, so that they can be fed into a combined top-down, bottom-up, non-uniform crystal plasticity model that captures the variability provided by the mesoscale during deformation. This can in turn be used to more accurately model the heterogeneity provided by the response of each grain. The length scale intuited from insight into mesoscale deformation mechanisms through observation of experiments and analytical models is the free slip line length of each slip system, which informs non-uniform material parameters in a crystal plasticity model that control the yielding, hardening, and subsequent softening of each individual slip system. The usefulness of this non-uniform multiscale crystal plasticity model is then explored with respect to its ability to reproduce experimentally measured responses at different strain levels for different size grains. Furthermore, a "Mantle-Core" type model which combines both the non-uniform material parameter model and the limited slip model is created, in which the majority of plastic deformation is accommodated near the grain boundary under multi-slip, and uniform plastic deformation occurs in the bulk dominated by double or triple slip. These models are compared for similar levels of hardening, and the pole figures that result from their deformation are compared to experimental pole figures. While there are other models that can capture the heterogeneity introduced by mesoscale deformation at the grain scale, this combined top-down, bottom-up multiscale crystal plasticity model is by far one of the most computationally efficient as the heterogeneity of the mesoscale is does not emerge by introducing higher order terms, but rather by incorporating the heterogeneity into a simple crystal plasticity formulation. Therefore, as computational power increases, this approach will be among the first that will be able to perform accurate polycrystal level modeling while retaining the heterogeneity introduced by non-local mesoscale deformation mechanisms at the sub-grain scale.

Ni-base superalloys are widely used in hot sections of gas turbine engines due to the high resistance to fatigue and creep at elevated temperatures. Due to the demands for improved performance and efficiency in applications of the superalloys, new and improved higher temperature alloy systems are being developed. Constitutive relations for these materials need to be formulated accordingly to predict behavior of cracks at notches in components under cyclic loading with peak dwell periods representative of gas turbine engine disk materials. Since properties are affected by microstructure at various length scales ranging from 10 nm tertiary γ' precipitates to 5-30 μm grains, hierarchical multiscale modeling is essential to address behavior at the component level. The goal of this work is to develop a framework for hierarchical multiscale modeling network that features linkage of several fine scale models to incorporate relevant microstructure attributes into the framework to improve the predictability of the constitutive model. This hierarchy of models is being developed in a collaborative research program with the Ohio State University. The fine scale models include the phase field model which addresses dislocation dissociation in the γ matrix and γ' precipitate phases, and the critical stresses from the model are used as inputs to a grain scale crystal plasticity model in a bottom-up fashion. The crystal plasticity model incorporates microstructure attributes by homogenization. A major task of the present work is to link the crystal plasticity model, informed by the phase field model, to the macroscale model and calibrate models in a top-down fashion to experimental data for a range of microstructures of the improved alloy system by implementing a hierarchical optimization scheme with a parameter clustering strategy. Another key part of the strategy to be developed in this thesis is the incorporation of polycrystal plasticity simulations to model a large range of virtual microstructures that have not been experimentally realized (processed), which append the experimentally available microstructures. Simulations of cyclic responses with dwell periods for this range of virtual (and limited experimental) polycrystalline microstructures will be used to (i) provide additional data to optimize parameter fitting for a microstructure-insensitive macroscopic internal state variable (ISV) model with thermal recovery and rate dependence relevant to the temperatures of interest, and (ii) provide input to train an artificial neural network that will associate the macroscopic ISV model parameters with microstructure attributes for this material. Such microstructure sensitive macroscopic models can then be employed in component level finite element studies to model cyclic behavior with dwell times at smooth and cracked notched specimens.

Polymer clay nanocomposites have been a popular area of materials research since they were first introduced in the 1990s. The inclusion of clays into many different host polymers has been shown to improve the properties of matrix polymers in a number of ways including increased mechanical strength, thermal stability and improved barrier properties while keeping the composite light weight and transparent. Although there is a great deal of published work on the preparation and property measurements of polymer clay nanocomposites, there is no model to design a nanocomposite with a given set of properties for a specific end-use. While it is important to know the structure property relationships of materials, the understanding of how nanocomposites reach their final forms and properties is equally important. A thorough understanding of processing effects on the final structure of polymer clay nanocomposites is still missing. With this perspective, this thesis addresses building structure-processing relationships of polymer clay nanocomposites by analyzing multiaxial deformation behavior using in-situ x-ray scattering techniques. This thesis can be divided into two distinct parts. The first part concerns the design of the in-situ multiaxial deformation device (IMDD) used to create the deformation conditions that polymers go through during processing such as blow molding and thermoforming. The device was designed to overcome several concerns with in situ measurement by maintaining constant sample to detector distance, minimizing the material between the incident beam and the detectors, as well as exposing the same point on the sample throughout deformation. A new design to create biaxial deformation, termed in-situ biaxial deformation device (IBDD), is also introduced in this part of the thesis.. In addition, a new heating unit, attached to IBDD, is designed for higher temperature studies, up to 150°C, to imitate industrial processing conditions more closely. The second part of the thesis addresses the effect of strain, strain rate, and temperature as well as the amount of clay on the polymer morphology evolution during multiaxial deformation.. Two different polymer/clay systems were studied: poly(ethylene)/clay and poly(propylene)/clay. It was observed that the morphological evolution of polyethylene and polypropylene is affected by the existence of clay platelets as well as the deformation temperature and the strain rate. Martensitic transformation of orthorhombic polyethylene crystals into monoclinic crystal form was observed under strain but is hindered in the presence of clay nanoplatelets. The morphology evolution of poly(propylene) crystal structure during multiaxial deformation was more subtle where the most stable α-crystalline form went through strain induced melting. This was more noticeable in the nanocomposites with clays up to 5 wt%. It was also noted that the thickness of the interlamellar amorphous region increased with increasing strain at room temperature due to the elongation of the amorphous chains. The increase in the amorphous layer thickness is slightly higher for the poly(ethylene)/clay nanocomposites compared to neat poly(ethylene) while the increase in the lamellar long spacing is slightly higher for the neat poly(propylene) compared to poly(propylene)/clay nanocomposites. The rate of change in the characteristic repeat distance in both poly(ethylene) and poly(propylene) systems is higher at faster strain rates, at room temperature, where it remained constant during higher temperature deformations. Time dependent recovery after deformation studies have shown that poly(ethylene)/clay system reverts back to its initial configuration. The recovery in the amorphous chains was however observed to take longer in the clay added poly(ethylene)s. Crystalline relaxation was observed to happen almost instantly in the poly(ethylene)/clay system. On the other hand, amorphous chains in the poly(propylene)/clay system did not revert back to the initial configuration in the period of time that the recovery observations were performed while the crystalline configuration recovered back almost fully in the given time.

Uranium (U) exhibits a high temperature body-centered cubic (b.c.c.) allotrope that is often stabilized by alloying with transition metals such as Zr, Mo, and Nb for technological applications. One such application involves U-Zr as nuclear fuel, where radiation damage and diffusion (processes heavily dependent on point defects) are of vital importance. Metallic nuclear fuels swell under fission conditions, creating fission product gases such as helium, xenon and krypton. Several systems of U are examined within a density functional theory framework utilizing projector augmented wave pseudopotentials. Two separate generalized gradient approximations of the exchange-correlation are used to calculate defect properties and are compared. The bulk modulus, the lattice constant, and the Birch-Murnaghan equation of state for the defect free b.c.c. uranium allotrope are calculated. Defect parameters calculated include energies of formation of vacancies in the α and γ allotropes, as well as self-interstitials, Zr, He, Xe and Kr interstitial and substitutional defects. The results for vacancies agree very well with experimental and previous computational studies. The most probable self-interstitial site in γ-U is the <110> dumbbell and the most probable defect location for dilute Zr in γ-U is the substitutional site. The most likely position for Xe and Kr atoms in uranium is the substitutional site. Helium atoms are likely to be found in a wide variety of defect positions due to the comparable formation energies of all defect configurations analyzed.

Thesis (doctoral)--Westfälische Wilhelms-Universität Münster, 2003. / "Dezember 2003"--P. [2] of cover. Includes bibliographical references (p. 132-139). Also available via the World Wide Web.

Thesis (Ph. D.)--University of Washington, 2001. / Vita. Includes bibliographical references (p. 104-108).

A curved nonlinear finite element is developed in this work to observe the behavior of slender arches which undergo large deformations. The derivation of the strain equation is based upon the assumption that cross sections of the undeformed state remain undeformed and plane, but not necessarily normal to the centroidal axis during deformation. It is also assumed that the strain will be small and the rotations will be finite. The in-plane bending and the buckling modes for arches with fixed end and hinged end supports are analyzed. Deep circular arches and deep arches with arbitrary geometry of the centroidal axis are studied. Vertical concentrated loads, uniformly distributed loads, a combination of concentrated and distributed loads, and nonsymmetrical loads are considered. The governing differential equations are differentiated with respect to time to give a system of rate equations. Using these equations, the original nonlinear differential equations are solved using the Runge-Kutta scheme with Simpson's coefficients. If the solution drifts, a Newton-Raphson iteration scheme is used to return the solution to the equilibrium path.

No description available.

A detailed study has been made of thermally activated glide between 373 K and 20 K for UHV annealed single crystals of two Nb based substitutional alloy systems containing 1-16 at.%Mo or 4 - 60 at.%Ta, in conjunction with a study of the deformation of UHV annealed single crystals of Nb between 4.2 K and 77 K. Whilst the addition of Ta had only a small effect on the properties of Nb as measured by activation volume and enthalpy and the temperature dependence of the flow stress, it produced a large increase in the low temperature yield stress and displaced the appearance of anomalous slip to lower temperatures, e.g. 77 K for the 10 at.%Ta alloy. Addition of Mo produced more rapid changes Whilst the 1 at.%Mo alloy behaved like the Nb-Ta alloys, the appearance of anomalous slip was depressed to 113 K. Further additions appeared to suppress anomalous slip completely and radically alter the behaviour of the alloys. The thermodynamic analysis suggested that the more concentrated Nb-Mo alloys show a change in the rate limiting step at low temperatures, cf. a peak in the activation volume - effective stress curve. No solution softening was observed in the alloys. Complex transients were found for all the alloys at and below 77 K after changes in strain rate. The yield and thermal stresses for Nb deforming by anomalous slip were independent of temperature between 77 K and 50 K, only regaining a temperature sensitivity below 50 K. The importance of this for models of anomalous slip was discussed. Complex overshoots were observed after changes in the strain rate. Those observed at and below 20 K have been explained by reference to the change in specimen temperature produced by heat generation during dislocation glide.

This thesis presents a method for the prediction of final peak-to-valley (PTV) surface profile variation for face turning of rings of non-uniform cross section. An analytical method relates initial part form, part deflection during workholding and machining, and part elastic recovery to final PTV surface profile variation. Finite element method is used to supplement the analytical model, and experiments are conducted to validate both the analytical and finite element approaches. Analytical and finite element results correspond well with experimental observations, with average relative errors of 11.6 and 7.2 percent, respectively.