The objective of this dissertation is to further the understanding of inelastic behavior in metallic materials. Despite the increasing use of polymeric composites in aircraft structures, high specific strength metals continue to be used in key components such as airframe, fuselage, wings, landing gear and hot engine parts. Design of metallic structures subjected to thermomechanical extremes in aerospace, automotive and nuclear applications requires consideration of the plasticity, creep and fracture behavior of these materials. Consideration of inelasticity and damage processes is also important in the design of metallic components used in functional applications such as thin films, flexible electronics and micro electro mechanical systems. Fracture mechanics has been largely successful in modeling damage and failure phenomena in a host of engineering materials. In the context of ductile metals, the Gurson void growth model remains one of the most successful and widely used models. However, some well documented limitations of the model in quantitative prediction of the fracture strains and failure modes at low triaxialities may be traceable to the limited representation of the damage microstructure in the model. In the first part of this dissertation, we develop an extended continuum model of void growth that takes into account details of the material microstructure such as the texture of the plastically deforming matrix and the evolution of the void shape. The need for such an extension is motivated by a detailed investigation of the effects of the two types of anisotropy on the materials' effective response using finite element analysis. The model is derived using the Hill-Mandel homogenization theory and an approximate limit analysis of a porous representative volume element. Comparisons with several numerical studies are presented towards a partial validation of the analytical model. Inelastic phenomena such as plasticity and creep result from the collective behavior of a large number of nano and micro scale defects such as dislocations, vacancies and grain boundaries. Continuum models relate macroscopically observable quantities such as stress and strain by coarse graining the discrete defect microstructure. While continuum models provide a good approximation for the effective behavior of bulk materials, several deviations have been observed in experiments at small scales such as an intrinsic size dependence of the material strength. Discrete dislocation dynamics (DD) is a mesoscale method for obtaining the mechanical response of a material by direct simulation of the motion and interactions of dislocations. The model incorporates an intrinsic length scale in the dislocation Burgers vector and potentially allows for size dependent mechanical behavior to emerge naturally from the dynamics of the dislocation ensemble. In the second part of this dissertation, a simplified two dimensional DD model is employed to study several phenomena of practical interest such as strain hardening under homogeneous deformation, growth of microvoids in a crystalline matrix and creep of single crystals at elevated temperatures. These studies have been enabled by several recent enhancements to the existing two-dimensional DD framework described in Chapter V. The main contributions from this research are: (i) development of a fully anisotropic continuum model of void growth for use in ductile fracture simulations and (ii) enhancing the capabilities of an existing two-dimensional DD framework for large scale simulations in complex domains and at elevated temperatures.

Irradiation induces a high concentration of defects in the structural materials of nuclear reactors, which are typically of body-centered cubic Iron (BCC Fe) and its alloys. The primary effect of irradiation is hardening which is caused by the blocking of dislocations with defects and defect clusters like point defects, self-interstitial loops, and voids. The dislocation-defect interactions are atomistic in nature due to the very small length and time scales involved, i.e., of the order of nanometers and picoseconds. To predict the effect of dislocation-defect interactions on the macroscopic mechanical and plastic behavior of the material, it is critically important to develop robust coupling schemes by which accurate atomic level physics of the rate-limiting kinetic processes can be informed into a coarse-grained model such as crystal plasticity. In this thesis we will develop an atomistically informed constitutive model. Relevant atomistic processes are identified from molecular dynamics simulations. The respective unit process studies are conducted using atomistic reaction pathway sampling methods like Nudged Elastic Band method. Stress-dependent activation energies and activation volumes are computed for various rate-liming unit processes like thermally activated dislocation motion via kinkpair nucleation, dislocation pinning due to self interstitial atom, etc. Constitutive laws are developed based on transition state theory, that informs the atomistically determined activation parameters into a coarse-grained crystal plasticity model. The macroscopic deformation behavior predicted by the crystal plasticity model is validated with experimental results and the characteristic features explained in the light of atomistic knowledge of the constituting kinetics. We also investigate on unique irradiation induced defects such as stacking fault tetrahedra, that are formed under non-irradiated condition. This thesis also includes our work on materials with internal interfaces that can resist irradiation induced damage. Overall, the research presented in this thesis involves the implementation and development of novel computational paradigm that encompasses computational approaches of various length and time scales towards robust predictions of the mechanical behavior of irradiated materials.

No description available.

<p> Self-organized dislocation structures in deforming metals have a strong influence on the mechanical response of metals. However, accurate prediction of these patterns remains a challenge due to the complex dynamic and multiscale nature of the underlying process. This dissertation focuses on the development of a theoretical framework for continuum dislocation dynamics (CDD) models to predict dislocation microstructure formation at small strains, along with corresponding numerical simulation results. CDD models have the capability to incorporate plasticity physics spanning different time and length scales while capturing the dislocation motion explicitly within reasonable computational time. A typical model consists of two components: crystal mechanics, formulated as an eigenstrain problem, and dislocation dynamics, treated as a transport-reaction problem. In the first part of the thesis, a novel framework is introduced to solve the dislocation transport by decoupling the system of transport-reaction equations and enforcing the dislocation continuity constraint on individual slip systems. The results obtained from this framework demonstrate high accuracy and computational efficiency, significantly enhancing the predictive capabilities of the model. Building upon the framework, a statistical analysis of stress fluctuations in discrete dislocation dynamics (DDD) simulations is conducted to understand the relationship between coarse-grained average stress and local stress states. This analysis is motivated by the need to accurately capture dislocation reactions, such as cross-slip, which strongly depend on the local stress state, using the coarse-grained approach in CDD. The results revealed that the difference between the local and the coarse-grained states can be characterized using a Cauchy distribution. Consequently, a novel strategy is proposed to incorporate these statistical characteristics into the CDD model, yielding cross-slip rate predictions that align well with DDD results. In the final part of the study, the developed framework is applied to investigate the dislocation pattern formation during the early stages of cyclic loading. The simulation results successfully capture the formation of dislocation vein like structure and provide insights regarding the formation of labyrinth structure observed in experiments during cyclic loading at saturated state. </p>

In den letzten Jahrzehnten hat sich auf dem Gebiet der phänomenologischen Metallplastizität eine schleichende Revolution vollzogen. Dank der gestiegenen Rechenleistung, in Kombination mit ausgereiften numerischen Algorithmen, sind viele technisch relevante Problemstellungen einer zuverlässigen numerischen Analyse zugänglich gemacht worden. Beispielsweise ermöglicht die Metallumformsimulation, als häufigste Anwendung der Plastizitätstheorie, eine Analyse des Eigenspannungszustandes und der Rückfederung in plastisch umgeformten Halbzeugen und Bauteilen. Solche Simulationen sind für die Planung energie- und ressourceneffizienter Herstellungsprozesse sowie für die Ausnutzung der plastischen Tragfähigkeitsreserven von großer Bedeutung. Die Crashtest-Simulation ist die zweithäufigste Anwendung, die in der Automobilindustrie und auch zunehmend im Flugzeugbau eingesetzt wird. Aus der Notwendigkeit, das Verhalten metallischer Werkstoffe auf Bauteilebene hinreichend genau zu beschreiben, resultiert die Motivation für eine breit angelegte Studie zur Materialmodellierung. Dabei führt die beträchtliche Anzahl unterschiedlicher Phänomene und Effekte, die berücksichtigt werden müssen, zu einer großen Vielfalt von Materialmodellen. Da die Lösung komplizierter praktischer Probleme mit einem sehr großen numerischen Aufwand verbunden ist, wird der vorteilhafte phänomenologische Zugang bevorzugt. Bei der Konzeption von neuen phänomenologischen Materialmodellen müssen folgende Aspekte beachtet werden: die Genauigkeit bei der Beschreibung des Materialverhaltens; die Stabilität und Robustheit von zugehörigen numerischen Algorithmen; die numerische Effizienz; die zuverlässige Parameteridentifikation für einen möglichst großen Anwendbarkeitsbereich; die Anschaulichkeit und Einfachheit des Materialmodells. Im Allgemeinen stehen diese Anforderungen an ein "gutes Materialmodell" zwar in einem gewissen Widerspruch zueinander, bilden andererseits aber das Grundgerüst für eine systematische Studie. Obwohl sich die vorliegende Arbeit vordergründig an erfahrene Spezialisten im Bereich der Kontinuumsmechanik wendet, sind die darin präsentierten Modelle und Algorithmen auch für praktisch tätige Berechnungsingenieure von Interesse. / In the last decades, a creeping revolution was taking place in the area of the phenomenological metal plasticity. Due to the increased computational power, combined with refined numerical algorithms, many of technically relevant problems are now available for the numerical analysis. In particular, the metal forming simulation is a typical application of the metal plasticity. It enables the analysis of the residual stresses and spring back phenomena in plastically deformed workpieces and components. Such analysis is advantageous for planning of energy and resource-efficient manufacturing and for exploitation of plastic reserves of bearing capacity. The crash test simulation is the second most common application of metal plasticity, highly celebrated in the automotive industry and gaining increasing popularity in the aircraft industry. The need for sufficiently accurate description of metal behaviour on the macroscale motivates wide-ranging studies on material modelling. The large number of different effects and phenomena contributes to the large manifold of material models. The current work deals with the phenomenological approach, due to its great suitability for the solution of practical problems. The following aspects should be taken into account upon the construction of new phenomenological models: the accurate description of the material behaviour, the stability and robustness of the corresponding numerical algorithms, the numerical efficiency, the reliable parameter identification for a sufficiently large application area, the clearness and simplicity of the material models. In general, these requirements imposed on a "good material model" contradict each other. In this work, however, they are complimentary to each other and build a framework for a systematic study. Although this work is written primarily for experts on the continuum mechanics, the presented models and algorithms can be of interest for practically working engineers.

In den letzten Jahrzehnten hat sich auf dem Gebiet der phänomenologischen Metallplastizität eine schleichende Revolution vollzogen. Dank der gestiegenen Rechenleistung, in Kombination mit ausgereiften numerischen Algorithmen, sind viele technisch relevante Problemstellungen einer zuverlässigen numerischen Analyse zugänglich gemacht worden. Beispielsweise ermöglicht die Metallumformsimulation, als häufigste Anwendung der Plastizitätstheorie, eine Analyse des Eigenspannungszustandes und der Rückfederung in plastisch umgeformten Halbzeugen und Bauteilen. Solche Simulationen sind für die Planung energie- und ressourceneffizienter Herstellungsprozesse sowie für die Ausnutzung der plastischen Tragfähigkeitsreserven von großer Bedeutung. Die Crashtest-Simulation ist die zweithäufigste Anwendung, die in der Automobilindustrie und auch zunehmend im Flugzeugbau eingesetzt wird. Aus der Notwendigkeit, das Verhalten metallischer Werkstoffe auf Bauteilebene hinreichend genau zu beschreiben, resultiert die Motivation für eine breit angelegte Studie zur Materialmodellierung. Dabei führt die beträchtliche Anzahl unterschiedlicher Phänomene und Effekte, die berücksichtigt werden müssen, zu einer großen Vielfalt von Materialmodellen. Da die Lösung komplizierter praktischer Probleme mit einem sehr großen numerischen Aufwand verbunden ist, wird der vorteilhafte phänomenologische Zugang bevorzugt. Bei der Konzeption von neuen phänomenologischen Materialmodellen müssen folgende Aspekte beachtet werden: die Genauigkeit bei der Beschreibung des Materialverhaltens; die Stabilität und Robustheit von zugehörigen numerischen Algorithmen; die numerische Effizienz; die zuverlässige Parameteridentifikation für einen möglichst großen Anwendbarkeitsbereich; die Anschaulichkeit und Einfachheit des Materialmodells. Im Allgemeinen stehen diese Anforderungen an ein "gutes Materialmodell" zwar in einem gewissen Widerspruch zueinander, bilden andererseits aber das Grundgerüst für eine systematische Studie. Obwohl sich die vorliegende Arbeit vordergründig an erfahrene Spezialisten im Bereich der Kontinuumsmechanik wendet, sind die darin präsentierten Modelle und Algorithmen auch für praktisch tätige Berechnungsingenieure von Interesse. / In the last decades, a creeping revolution was taking place in the area of the phenomenological metal plasticity. Due to the increased computational power, combined with refined numerical algorithms, many of technically relevant problems are now available for the numerical analysis. In particular, the metal forming simulation is a typical application of the metal plasticity. It enables the analysis of the residual stresses and spring back phenomena in plastically deformed workpieces and components. Such analysis is advantageous for planning of energy and resource-efficient manufacturing and for exploitation of plastic reserves of bearing capacity. The crash test simulation is the second most common application of metal plasticity, highly celebrated in the automotive industry and gaining increasing popularity in the aircraft industry. The need for sufficiently accurate description of metal behaviour on the macroscale motivates wide-ranging studies on material modelling. The large number of different effects and phenomena contributes to the large manifold of material models. The current work deals with the phenomenological approach, due to its great suitability for the solution of practical problems. The following aspects should be taken into account upon the construction of new phenomenological models: the accurate description of the material behaviour, the stability and robustness of the corresponding numerical algorithms, the numerical efficiency, the reliable parameter identification for a sufficiently large application area, the clearness and simplicity of the material models. In general, these requirements imposed on a "good material model" contradict each other. In this work, however, they are complimentary to each other and build a framework for a systematic study. Although this work is written primarily for experts on the continuum mechanics, the presented models and algorithms can be of interest for practically working engineers.