The phase-field method is a powerful tool in computer-aided materials science as it allows for the analysis of the time-spatial evolution of microstructures on the mesoscale. A multi-phase-field model is adopted to run numerical simulations in two different areas of scientific interest: Polycrystalline thin films growth and the ferromagnetic shape memory effect. FFT-techniques, norm conservative integration and RVE-methods are necessary to make the coupled problems numerically feasible.

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.

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.

Understanding the physical processes during fabrication and annealing of ceramic materials is a long sought goal among material scientists. Using strontium titanate as a model system for perovskite ceramics, the present work combines advanced non-destructive 3D characterization techniques and computational modeling of microstructure evolution in order to link grain morphology, interface anisotropy and microstructure evolution to macroscopic physical properties .

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.

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.

Main objective of this work is to develop, by systematic variation of the chemical composition, and TMP, 14% Cr nano-structured ferritic alloys with significantly improved high-temperature properties compared to currently available ODS alloys. Application of state-of-the-art characterization tools shall lead to an integrated understanding of structure-property correlation and the formation mechanism of nanoparticles.

Ink-jet printed devices on the flexible substrate are inexpensive and large area compatible as compared to rigid substrates. However, during fabrication and service they are subjected to complex strains, resulting in crack formation or delamination within the layers, affecting the device performance. Therefore, it is necessary to understand their failure mechanisms by correlating their electrical or structural properties with applied strain, supported by detailed microstructural investigations.