This book summarizes the found insights of grain growth behavior, of multidimensional decomposition for regular grids to efficiently parallelize computing and how to simulate recrystallization by coupling the finite element method with the phase-field method for microstructure texture analysis. The frame of the book is created by the phase-field method, which is the tool used in this work, to investigate microstructure phenomena.

This book summarizes the found insights of grain growth behavior, of multidimensional decomposition for regular grids to efficiently parallelize computing and how to simulate recrystallization by coupling the finite element method with the phase-field method for microstructure texture analysis. The frame of the book is created by the phase-field method, which is the tool used in this work, to investigate microstructure phenomena.

The utilization of thermodynamic and mobility data plays a major role in phase-field modeling. This work discusses different formulations for the thermodynamic quantities of a grand potential model along with practices to determine parameters from datasets. The framework is used to study solidification of Al-Si-Mg for a variation of composition, diffusivities and surface energy anisotropies. To verify the simulations, they are compared with solidification theories.

With the advent of high performance computing, the application areas of the phase-field method, traditionally used to numerically model the phase transformation in metals and alloys, have now spanned into geoscience. A systematic investigation of the two distinct scientific problems in consideration suggest a strong influence of interfacial energy on the natural and induced pattern formation in diffusion-controlled regime.

Most storage materials exhibit phase changes, which cause stresses and, thus, lead to damage of the electrode particles. In this work, a phase-field model for the cathode material NaxFePO4 of Na-ion batteries is studied to understand phase changes and stress evolution. Furthermore, we study the particle size and SOC dependent miscibility gap of the nanoscale insertion materials. Finally, we introduce the nonlocal species concentration theory, and show how the nonlocality influences the results.

In this work, the ratcheting-behavior of 9%Cr-1%Mo ferritic-martensitic steel is studied with uniaxial cyclic loading. To describe the ratcheting-behavior of this steel, a visco-plastic constitutive model with consideration of cyclic softening of Reduced Activation Ferritic Martensitic steels is further modified, based on the analysis of back stress.

The grain microstructure and damage mechanisms at the grain level are the key factors that influence fatigue of metals at small scales. This is addressed in this work by establishing a new micro-mechanical model for prediction of multiaxial high cycle fatigue (HCF) at a length scale of 5-100?m. The HCF model considers elasto-plastic behavior of metals at the grain level and microstructural parameters, specifically the grain size and the grain orientation.

Single crystalline, μm-sized cantilevers are fabricated out of epitaxially grown Ag thin films by a lithography-based procedure and are deflected by a nanoindenter system. The microstructure of the plastically deformed cantile-vers is investigated using transmission Kikuchi diffraction (TKD) on the cantilever cross section. 3D discrete dislocation dynamics simulations (DDD) are performed for further analysis. A mechanism to explain the formation of dislocation networks upon loading is suggested.

Recent studies of deformation mechanisms of metals and alloys pioneer the better investigation of the friction and wear behavior of materials with well-defined initial microstructures. Within this scope, in this work, the effect of sub-surface deformations on the resulting friction and wear behavior has been searched by means of a systematic experimental study on Au-Ni metallic multilayer model alloy system.