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Interface and Transport Dynamics
An overview of the recent progress of research in computational physics and materials science. Particular topics are modelling of traffic flow and complex multi-scale solidification phenomena. The sections introduce novel research results of experts from a considerable diversity of disciplines such as physics, mathematical and computational modelling, nonlinear dynamics, materials sciences, statistical mechanics and foundry technique. The book intends to create a comprehensive and coherent image of the current research status and illustrates new simulation results of transport and interface dynamics by high resolution graphics. Various possible perspectives are formulated for future activities. Special emphasis is laid on exchanging experiences concerning numerical tools and on the bridging of the scales as is necessary in a variety of scientific and engineering applications. An interesting possibility along this line was the coupling of different computational approaches leading to hybrid simulations.
Computational Materials Engineering
Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials ...
Analysis, Modeling and Simulation of Multiscale Problems
This book reports recent mathematical developments in the Programme "Analysis, Modeling and Simulation of Multiscale Problems", which started as a German research initiative in 2006. Multiscale problems occur in many fields of science, such as microstructures in materials, sharp-interface models, many-particle systems and motions on different spatial and temporal scales in quantum mechanics or in molecular dynamics. The book presents current mathematical foundations of modeling, and proposes efficient numerical treatment.
Continuum Scale Simulation of Engineering Materials
This book fills a gap by presenting our current knowledge and understanding of continuum-based concepts behind computational methods used for microstructure and process simulation of engineering materials above the atomic scale. The volume provides an excellent overview on the different methods, comparing the different methods in terms of their respective particular weaknesses and advantages. This trains readers to identify appropriate approaches to the new challenges that emerge every day in this exciting domain. Divided into three main parts, the first is a basic overview covering fundamental key methods in the field of continuum scale materials simulation. The second one then goes on to l...
Understanding Degradation Phenomena in Solid-Oxide Fuel-Cell Anodes by Phase-Field Modeling and Analytics
The current work analyzes degradation effects in solid-oxide fuel cell anodes with the phase-field method. A model extension for interface diffusion is formulated and calibrated. Large-scale 3D-simulations provide interesting insights into phenomena at the microscale which are responsible for the degradation
Phase-field Modeling of Phase Changes and Mechanical Stresses in Electrode Particles of Secondary Batteries
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.
Phase-field Modeling of Multi-domain Evolution in Ferromagnetic Shape Memory Alloys and of Polycrystalline Thin Film Growth
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.
Advances in Solid State Physics
The 2002 Spring Meeting of the "Deutsche Physikalische Gesellschaft" was held in Regensburg from March 25th to 29th, 2002. The number of conference attendees has remained remarkably stable at about 2800, despite the decreas ing number of German PhD students. This can be taken as an indication that the program of the meeting was very attractive. The present volume of the "Advances in Solid State Physics" contains the written versions of most of the invited talks, also those presented as part of the Symposia. Most of these Symposia were organized by several divisions in collaboration and they covered fascinating selection of topics of current interest. I trust that the book reflects this year's status of the field in Germany. In particular, one notes a slight change in paradigms: from quantum dots and wires to spin transport and soft matter systems in the broadest sense. This seems to reflect the present general trend in physics. Nevertheless, a large portion of the invited papers as well as the discussions at the meeting concentrated on nanostrnctured matter.
Aluminium Alloys
Aluminium is a well established modern lightweight engineering and functional material with a unique combination of specific properties like strengh, formability, durability, conductivity, corrosion resistance, etc. It is present in many intelligent solutions in established markets like building, transport, packaging, printing, and many others, in our fast moving modern society. The various aluminium alloys can be processed quite efficiently in large quantities by conventional fabrication routes, as well as in special sophisticated forms and material combinations for highly innovative high–tec solutions and applications. This book contains latest information about all these aspects in form...
