Additive manufacturing (AM) introduces high variability in the microstructure and defect distributions, compared with conventional processing techniques, which introduces greater uncertainty in the resulting fatigue performance of manufactured parts. As a result, qualification of AM parts poses as a problem in continued adoption of these materials in safety-critical components for the aerospace industry. Hence, there is a need to develop precise and accurate, physics-based predictive models to quantify the fatigue performance, as a means to accelerate the qualification of AM parts. The fatigue performance is a critical requirement in the safe-life design philosophy used in the aerospace industry. Fatigue failure is governed by the loading conditions and the attributes of the material microstructure, namely, grain size distribution, texture, and defects. In this work, the crystal plasticity finite element (CPFE) method is employed to model the microstructure-based material response of an additively manufactured Ni-based superalloy, Inconel 718 (IN718). Using CPFE and associated experiments, methodologies were developed to assess multiple aspects of the fatigue behavior of IN718 using four studies. In the first study, a CPFE framework is developed to estimate the critical characteristics of porosity, namely the pore size and proximity that would cause a significant debit in the fatigue life. The second study is performed to evaluate multiple metrics based on plastic strain and local stress in their ability to predict both the modes of failure as seen in fractography experiments and estimate the scatter in fatigue life due to microstructural variability as obtained from fatigue testing. In the third study, a systematic analysis was performed to investigate the role of the simulation volume and the microstructural constraints on the fatigue life predictions to provide informed guidelines for simulation volume selection that is both computationally tractable and results in consistent scatter predictions. In the fourth study, validation of the CPFE results with the experiments were performed to build confidence in the model predictions. To this end, 3D realistic microstructures representative of the test specimen were created based on the multi-modal experimental data obtained from high-energy diffraction experiments and electron backscatter diffraction microscopy. Following this, the location of failure is predicted using the model, which resulted in an unambiguous one to one correlation with the experiment. In summary, the development of microstructure-sensitive predictive methods for fatigue assessment presents a tangible step towards the adoption of model-based approaches that can be used to compliment and reduce the overall number of physical tests necessary to qualify a material for use in application.

Die vorliegende Arbeit widmet sich der Aufgabe makroskopische Berechnungsmodelle zur Beschreibung des Drahtsägens zu erarbeiten. Ziel ist es, die wesentlichen Effekte abzubilden und den Einfluss von Prozessparametern auf die Dynamik des Systems zu bestimmen. Ein zentraler Punkt ist die Modellierung des bewegten Sägedrahtes. Durch die dem Kontinuum an den Auflagern aufgeprägte Führungsbewegung sind einerseits die Randbedingungen und andererseits ortsfest auf den Draht wirkende Lasten nichtmateriell. Die korrekte kinematische Beschreibung dieses Sachverhaltes ist essentielle Grundlage für die spätere Anwendung des Prinzips von HAMILTON. Durch die Führungsbewegung, die Formulierung der Kontaktkräfte als Folgelasten und durch explizit zeitabhängige Systemparameter ergibt sich ein kompliziertes Systemverhalten. Die dargestellten Berechnungsergebnisse umfassen Studien zu stationären Lagen, die Berechnung von Eigenfrequenzen, Stabilitätsnachweise des dynamischen Grundzustandes, die Bestimmung von Zeitlösungen und die Simulation des Materialabtrages beim Einschnitt.:1 Einleitung 1.1 Technische Problemstellung und Motivation der Arbeit 1.2 Literaturübersicht 1.3 Thema und Gliederung der Arbeit 2 Theoretische Grundlagen 2.1 Notation und mathematische Grundlagen 2.2 Kinematische Grundlagen der Kontinuumsmechanik 2.2.1 Konfiguration und Betrachtungsweisen 2.2.2 Verformungskinematik 2.2.3 Zeitableitungen 2.3 Variationsrechnung 2.3.1 Grundlagen 2.3.2 Verallgemeinerte Variationen 2.4 Kinetik / Prinzip von HAMILTON 2.5 Diskretisierung von Feldproblemen 2.6 Stabilität stationärer Lösungen 2.6.1 Grundlagen der kinetischen Stabilitätstheorie 2.6.2 Erste Methode von LJAPUNOW 2.6.3 Stabilitätsbetrachtung für bewegte Kontinua 2.7 Zeitlösung 2.7.1 Homogene Lösung der Störungsdifferentialgleichungen 2.7.2 Partikuläre Lösung der Störungsdifferentialgleichungen 3 Mechanisches Modell und Modellvarianten 3.1 Kinematik des Drahtes in LAGRANGE-Koordinaten 3.2 Kinematik des Drahtes in EULER-Koordinaten 3.3 Modell I 3.3.1 Variationsformulierung und Feldgleichungen 3.3.2 Ortsdiskretisierung der Variationsformulierung 3.3.3 Stationäre Lage, Stabilitätsuntersuchung und Zeitlösung 3.4 Modell II 3.4.1 Variationsformulierung und Feldgleichungen 3.4.2 Ortsdiskretisierung der Variationsformulierung 3.4.3 Stationäre Lage, Stabilitätsuntersuchung und Zeitlösung 3.5 Numerische Umsetzung 3.6 Berechnungsergebnisse 3.6.1 Stationäre Lagen 3.6.2 Eigenfrequenzen 3.6.3 Stabilitätsuntersuchungen 3.6.4 Zeitlösungen 4 Ankopplung des Ingot und Modellierung des Materialabtrages 4.1 FE- Modell des Gesamtblocks 4.1.1 Bestimmung der mechanischen Eigenschaften des Ingot 4.1.2 Berechnungsergebnisse 4.2 Strukturmechanisches Modell des Gesamtblocks und Ankopplung an den Sägedraht 4.3 Variationsformulierungen der gekoppelten Gesamtsysteme unter Berücksichtigung des Materialabtrages 4.3.1 Gesamtmodell I 4.3.2 Gesamtmodell II 4.4 Simulation des Schnittvorganges 5 Zusammenfassung / Ausblick 6 Verzeichnisse 6.1 Literaturverzeichnis 6.1.1 Allgemeine Literatur 6.1.2 Literatur zum Thema Drahtsägen 6.1.3 Literatur zum Thema bewegte Kontinua Anhang / The aim of the present thesis is to generate macroscopic models to describe the wire sawing process. The principal purpose is to illustrate basic effects and to investigate the influence of important process parameters relating to the dynamics of the system. A fundamental point is the modeling of the moving wire. Because of the axially movement of the continuum the boundary conditions and spatial acting loads are non-material. The precise kinematical description of this issue is the pre-condition for the correct evaluation of HAMILTON’s principle to characterize the dynamics of the system. The resultant complex system behavior is a consequence of the movement of the wire, of the formulation of the contact forces as follower loads and of explicitly time-dependent model parameters. The results of research contain studies of steady state equilibrium solutions and the proof of their LJAPUNOW stability, the calculation of eigenfrequencies, steady state time solutions under harmonically oscillating contact forces and the simulation of the material removal during the cutting process.:1 Einleitung 1.1 Technische Problemstellung und Motivation der Arbeit 1.2 Literaturübersicht 1.3 Thema und Gliederung der Arbeit 2 Theoretische Grundlagen 2.1 Notation und mathematische Grundlagen 2.2 Kinematische Grundlagen der Kontinuumsmechanik 2.2.1 Konfiguration und Betrachtungsweisen 2.2.2 Verformungskinematik 2.2.3 Zeitableitungen 2.3 Variationsrechnung 2.3.1 Grundlagen 2.3.2 Verallgemeinerte Variationen 2.4 Kinetik / Prinzip von HAMILTON 2.5 Diskretisierung von Feldproblemen 2.6 Stabilität stationärer Lösungen 2.6.1 Grundlagen der kinetischen Stabilitätstheorie 2.6.2 Erste Methode von LJAPUNOW 2.6.3 Stabilitätsbetrachtung für bewegte Kontinua 2.7 Zeitlösung 2.7.1 Homogene Lösung der Störungsdifferentialgleichungen 2.7.2 Partikuläre Lösung der Störungsdifferentialgleichungen 3 Mechanisches Modell und Modellvarianten 3.1 Kinematik des Drahtes in LAGRANGE-Koordinaten 3.2 Kinematik des Drahtes in EULER-Koordinaten 3.3 Modell I 3.3.1 Variationsformulierung und Feldgleichungen 3.3.2 Ortsdiskretisierung der Variationsformulierung 3.3.3 Stationäre Lage, Stabilitätsuntersuchung und Zeitlösung 3.4 Modell II 3.4.1 Variationsformulierung und Feldgleichungen 3.4.2 Ortsdiskretisierung der Variationsformulierung 3.4.3 Stationäre Lage, Stabilitätsuntersuchung und Zeitlösung 3.5 Numerische Umsetzung 3.6 Berechnungsergebnisse 3.6.1 Stationäre Lagen 3.6.2 Eigenfrequenzen 3.6.3 Stabilitätsuntersuchungen 3.6.4 Zeitlösungen 4 Ankopplung des Ingot und Modellierung des Materialabtrages 4.1 FE- Modell des Gesamtblocks 4.1.1 Bestimmung der mechanischen Eigenschaften des Ingot 4.1.2 Berechnungsergebnisse 4.2 Strukturmechanisches Modell des Gesamtblocks und Ankopplung an den Sägedraht 4.3 Variationsformulierungen der gekoppelten Gesamtsysteme unter Berücksichtigung des Materialabtrages 4.3.1 Gesamtmodell I 4.3.2 Gesamtmodell II 4.4 Simulation des Schnittvorganges 5 Zusammenfassung / Ausblick 6 Verzeichnisse 6.1 Literaturverzeichnis 6.1.1 Allgemeine Literatur 6.1.2 Literatur zum Thema Drahtsägen 6.1.3 Literatur zum Thema bewegte Kontinua Anhang

This thesis is devoted to the study of optimal control problems governed by a quasistatic, thermoviscoplastic model at small strains with linear kinematic hardening, von Mises yield condition and mixed boundary conditions. Mathematically, the thermoviscoplastic equations are given by nonlinear partial differential equations and a variational inequality of second kind in order to represent the elastic, plastic and thermal effects. Taking into account thermal effects we have to handle numerous mathematical challenges during the analysis of the thermoviscoplastic model, mainly due to the low integrability of the nonlinear terms on the right-hand side of the heat equation. One of our main results is the existence of a unique weak solution, which is proved by means of a fixed-point argument and by employing maximal parabolic regularity theory. Furthermore, we define the related control-to-state mapping and investigate properties of this mapping such as boundedness, weak continuity and local Lipschitz continuity. Another major result is the finding that the mapping is Hadamard differentiable; a main ingredient is the reformulation of the variational inequality, the so called viscoplastic flow rule, as a Banach space-valued ordinary differential equation with non-differentiable right-hand side. Subsequently, we consider an optimal control problem governed by thermoviscoplasticity and show the existence of a minimizer. Finally, close this thesis with numerical examples. / Diese Arbeit ist der Untersuchung von Optimalsteuerproblemen gewidmet, denen ein quasistatisches, thermoviskoplastisches Model mit kleinen Deformationen, mit linearem kinematischen Hardening, von Mises Fließbedingung und gemischten Randbedingungen zu Grunde liegt. Mathematisch werden thermoviskoplastische Systeme durch nichtlineare partielle Differentialgleichungen und eine variationelle Ungleichung der zweiten Art beschrieben, um die elastischen, plastischen und thermischen Effekte abzubilden. Durch die Miteinbeziehung thermischer Effekte, treten verschiedene mathematische Schwierigkeiten während der Analysis des thermoviskoplastischen Systems auf, die ihren Ursprung hauptsächlich in der schlechten Regularität der nichtlinearen Terme auf der rechten Seite der Wärmeleitungsgleichung haben. Eines unserer Hauptresultate ist die Existenz einer eindeutigen schwachen Lösung, welches wir mit Hilfe von einem Fixpunktargument und unter Anwendung von maximaler parabolischer Regularitätstheorie beweisen. Zudem definieren wir die entsprechende Steuerungs-Zustands-Abbildung und untersuchen Eigenschaften dieser Abbildung wie die Beschränktheit, schwache Stetigkeit und lokale Lipschitz Stetigkeit. Ein weiteres wichtiges Resultat ist, dass die Abbildung Hadamard differenzierbar ist; Hauptbestandteil des Beweises ist die Umformulierung der variationellen Ungleichung, der sogenannten viskoplastischen Fließregel, als eine Banachraum-wertige gewöhnliche Differentialgleichung mit nichtdifferenzierbarer rechter Seite. Schließlich runden wir diese Arbeit mit numerischen Beispielen ab.

A high-order central essentially non-oscillatory (CENO) finite-volume scheme in combination with a block-based adaptive mesh refinement (AMR) algorithm is proposed for solution of hyperbolic and elliptic systems of conservation laws on body- fitted multi-block mesh. The spatial discretization of the hyperbolic (inviscid) terms is based on a hybrid solution reconstruction procedure that combines an unlimited high-order k-exact least-squares reconstruction technique following from a fixed central stencil with a monotonicity preserving limited piecewise linear reconstruction algorithm. The limited reconstruction is applied to computational cells with under-resolved solution content and the unlimited k-exact reconstruction procedure is used for cells in which the solution is fully resolved. Switching in the hybrid procedure is determined by a solution smoothness indicator. The hybrid approach avoids the complexity associated with other ENO schemes that require reconstruction on multiple stencils and therefore, would seem very well suited for extension to unstructured meshes. The high-order elliptic (viscous) fluxes are computed based on a k-order accurate average gradient derived from a (k+1)-order accurate reconstruction. A novel h-refinement criterion based on the solution smoothness indicator is used to direct the steady and unsteady refinement of the AMR mesh. The predictive capabilities of the proposed high-order AMR scheme are demonstrated for the Euler and Navier-Stokes equations governing two-dimensional compressible gaseous flows as well as for advection-diffusion problems characterized by the full range of Peclet numbers, Pe. The ability of the scheme to accurately represent solutions with smooth extrema and yet robustly handle under-resolved and/or non-smooth solution content (i.e., shocks and other discontinuities) is shown for a range of problems. Moreover, the ability to perform mesh refinement in regions of smooth but under-resolved and/or non-smooth solution content to achieve the desired resolution is also demonstrated.

A high-order central essentially non-oscillatory (CENO) finite-volume scheme in combination with a block-based adaptive mesh refinement (AMR) algorithm is proposed for solution of hyperbolic and elliptic systems of conservation laws on body- fitted multi-block mesh. The spatial discretization of the hyperbolic (inviscid) terms is based on a hybrid solution reconstruction procedure that combines an unlimited high-order k-exact least-squares reconstruction technique following from a fixed central stencil with a monotonicity preserving limited piecewise linear reconstruction algorithm. The limited reconstruction is applied to computational cells with under-resolved solution content and the unlimited k-exact reconstruction procedure is used for cells in which the solution is fully resolved. Switching in the hybrid procedure is determined by a solution smoothness indicator. The hybrid approach avoids the complexity associated with other ENO schemes that require reconstruction on multiple stencils and therefore, would seem very well suited for extension to unstructured meshes. The high-order elliptic (viscous) fluxes are computed based on a k-order accurate average gradient derived from a (k+1)-order accurate reconstruction. A novel h-refinement criterion based on the solution smoothness indicator is used to direct the steady and unsteady refinement of the AMR mesh. The predictive capabilities of the proposed high-order AMR scheme are demonstrated for the Euler and Navier-Stokes equations governing two-dimensional compressible gaseous flows as well as for advection-diffusion problems characterized by the full range of Peclet numbers, Pe. The ability of the scheme to accurately represent solutions with smooth extrema and yet robustly handle under-resolved and/or non-smooth solution content (i.e., shocks and other discontinuities) is shown for a range of problems. Moreover, the ability to perform mesh refinement in regions of smooth but under-resolved and/or non-smooth solution content to achieve the desired resolution is also demonstrated.

Diploma thesis is focused on the description of the parameters of nonlinear material models of concrete, which are implemented in a computational system LS-DYNA, interacting with performance of nonlinear test calculations in system LS-DYNA on selected problems, which are formed mainly by simulations of tests of mechanical and physical properties of concrete in uniaxial compressive and tensile on cylinders with applying different boundary conditions and by simulation of bending slab, with subsequent comparison of some results of test calculations with results of the experiment. The thesis includes creation of appropriate geometric models of selected problems, meshing of these geometric models, description of parameters and application of nonlinear material models of concrete on selected problems, application of loads and boundary conditions on selected problems and performance of nonlinear calculations in a computational system LS-DYNA. Evaluation of results is made on the basis of stress-strain diagrams and load-displacement diagrams based on nonlinear calculations taking into account strain rate effects and on the basis of hysteresis curves based on nonlinear calculations in case of application of cyclic loading on selected problems. Verification of nonlinear material models of concrete is made on the basis of comparison of some results of test calculations with results obtained from the experiment.