Research in Mathematics of Materials Science


Book Description

This volume highlights contributions of women mathematicians in the study of complex materials and includes both original research papers and reviews. The featured topics and methods draw on the fields of Calculus of Variations, Partial Differential Equations, Functional Analysis, Differential Geometry and Topology, as well as Numerical Analysis and Mathematical Modelling. Areas of applications include foams, fluid-solid interactions, liquid crystals, shape-memory alloys, magnetic suspensions, failure in solids, plasticity, viscoelasticity, homogenization, crystallization, grain growth, and phase-field models.




Mathematical Techniques in Crystallography and Materials Science


Book Description

This practical guide and reference serves as a unified source book for students and professionals, and it provides a solid basis for further studies in more specialized literature. Based Prince’s decades of practical experience, it can be recommended as an introduction for beginners in crystallography, as a refresher and handy guide for crystallographers working on specific problems, and as a reference for others seeking a dictionary of basic mathematical and crystallographic terms. The third edition further clarifies key points.




Bayesian Optimization for Materials Science


Book Description

This book provides a short and concise introduction to Bayesian optimization specifically for experimental and computational materials scientists. After explaining the basic idea behind Bayesian optimization and some applications to materials science in Chapter 1, the mathematical theory of Bayesian optimization is outlined in Chapter 2. Finally, Chapter 3 discusses an application of Bayesian optimization to a complicated structure optimization problem in computational surface science.Bayesian optimization is a promising global optimization technique that originates in the field of machine learning and is starting to gain attention in materials science. For the purpose of materials design, Bayesian optimization can be used to predict new materials with novel properties without extensive screening of candidate materials. For the purpose of computational materials science, Bayesian optimization can be incorporated into first-principles calculations to perform efficient, global structure optimizations. While research in these directions has been reported in high-profile journals, until now there has been no textbook aimed specifically at materials scientists who wish to incorporate Bayesian optimization into their own research. This book will be accessible to researchers and students in materials science who have a basic background in calculus and linear algebra.




Topics in the Mathematical Modelling of Composite Materials


Book Description

Andrej V. Cherkaev and Robert V. Kohn In the past twenty years we have witnessed a renaissance of theoretical work on the macroscopic behavior of microscopically heterogeneous mate rials. This activity brings together a number of related themes, including: ( 1) the use of weak convergence as a rigorous yet general language for the discussion of macroscopic behavior; (2) interest in new types of questions, particularly the "G-closure problem," motivated in large part by applications of optimal control theory to structural optimization; (3) the introduction of new methods for bounding effective moduli, including one based on "com pensated compactness"; and (4) the identification of deep links between the analysis of microstructures and the multidimensional calculus of variations. This work has implications for many physical problems involving optimal design, composite materials, and coherent phase transitions. As a result it has received attention and support from numerous scientific communities, including engineering, materials science, and physics as well as mathematics. There is by now an extensive literature in this area. But for various reasons certain fundamental papers were never properly published, circu lating instead as mimeographed notes or preprints. Other work appeared in poorly distributed conference proceedings volumes. Still other work was published in standard books or journals, but written in Russian or French. The net effect is a sort of "gap" in the literature, which has made the subject unnecessarily difficult for newcomers to penetrate.




Mathematical Research in Materials Science


Book Description

This book describes fruitful past collaborations between the mathematical and materials sciences and indicates future challenges. It seeks both to encourage mathematical sciences research that will complement vital research in materials science and to raise awareness of the value of quantitative methods. The volume encourages both communities to increase cross-disciplinary collaborations, emphasizing that each has much to gain from such an increase, and it presents recommendations for facilitating such work. This book is written for both mathematical and materials science researchers interested in advancing research at this interface; for federal and state agency representatives interested in encouraging such collaborations; and for anyone wanting information on how such cross-disciplinary, collaborative efforts can be accomplished successfully.




Concepts of Materials Science


Book Description

All technologies depend on the availability of suitable materials. The progress of civilisation is often measured by the materials people have used, from the stone age to the silicon age. Engineers exploit the relationships between the structure, properties and manufacturing methods of a material to optimise their design and production for particular applications. Scientists seek to understand and predict those relationships. This short book sets out fundamental concepts that underpin the science of materials and emphasizes their relevance to mainstream chemistry, physics and biology. These include the thermodynamic stability of materials in various environments, quantum behaviour governing all matter, and active matter. Others include defects as the agents of change in crystalline materials, materials at the nanoscale, the emergence of new science at increasing length scales in materials, and man-made materials with properties determined by their structure rather than their chemistry. The book provides a unique insight into the essence of materials science at a level suitable for pre-university students and undergraduates of materials science. It will also be suitable for graduates in other subjects contemplating postgraduate study in materials science. Professional materials scientists will also find it stimulating and occasionally provocative.




Handbook of Research Design in Mathematics and Science Education


Book Description

The Handbook of Research Design in Mathematics and Science Education is based on results from an NSF-supported project (REC 9450510) aimed at clarifying the nature of principles that govern the effective use of emerging new research designs in mathematics and science education. A primary goal is to describe several of the most important types of research designs that: * have been pioneered recently by mathematics and science educators; * have distinctive characteristics when they are used in projects that focus on mathematics and science education; and * have proven to be especially productive for investigating the kinds of complex, interacting, and adapting systems that underlie the development of mathematics or science students and teachers, or for the development, dissemination, and implementation of innovative programs of mathematics or science instruction. The volume emphasizes research designs that are intended to radically increase the relevance of research to practice, often by involving practitioners in the identification and formulation of the problems to be addressed or in other key roles in the research process. Examples of such research designs include teaching experiments, clinical interviews, analyses of videotapes, action research studies, ethnographic observations, software development studies (or curricula development studies, more generally), and computer modeling studies. This book's second goal is to begin discussions about the nature of appropriate and productive criteria for assessing (and increasing) the quality of research proposals, projects, or publications that are based on the preceding kind of research designs. A final objective is to describe such guidelines in forms that will be useful to graduate students and others who are novices to the fields of mathematics or science education research. The NSF-supported project from which this book developed involved a series of mini conferences in which leading researchers in mathematics and science education developed detailed specifications for the book, and planned and revised chapters to be included. Chapters were also field tested and revised during a series of doctoral research seminars that were sponsored by the University of Wisconsin's OERI-supported National Center for Improving Student Learning and Achievement in Mathematics and Science. In these seminars, computer-based videoconferencing and www-based discussion groups were used to create interactions in which authors of potential chapters served as "guest discussion leaders" responding to questions and comments from doctoral students and faculty members representing more than a dozen leading research universities throughout the USA and abroad. A Web site with additional resource materials related to this book can be found at http://www.soe.purdue.edu/smsc/lesh/ This internet site includes directions for enrolling in seminars, participating in ongoing discussion groups, and submitting or downloading resources which range from videotapes and transcripts, to assessment instruments or theory-based software, to publications or data samples related to the research designs being discussed.




Statistical Methods for Materials Science


Book Description

Data analytics has become an integral part of materials science. This book provides the practical tools and fundamentals needed for researchers in materials science to understand how to analyze large datasets using statistical methods, especially inverse methods applied to microstructure characterization. It contains valuable guidance on essential topics such as denoising and data modeling. Additionally, the analysis and applications section addresses compressed sensing methods, stochastic models, extreme estimation, and approaches to pattern detection.




A New Direction in Mathematics for Materials Science


Book Description

This book is the first volume of the SpringerBriefs in the Mathematics of Materials and provides a comprehensive guide to the interaction of mathematics with materials science. The anterior part of the book describes a selected history of materials science as well as the interaction between mathematics and materials in history. The emergence of materials science was itself a result of an interdisciplinary movement in the 1950s and 1960s. Materials science was formed by the integration of metallurgy, polymer science, ceramics, solid state physics, and related disciplines. We believe that such historical background helps readers to understand the importance of interdisciplinary interaction such as mathematics–materials science collaboration. The middle part of the book describes mathematical ideas and methods that can be applied to materials problems and introduces some examples of specific studies—for example, computational homology applied to structural analysis of glassy materials, stochastic models for the formation process of materials, new geometric measures for finite carbon nanotube molecules, mathematical technique predicting a molecular magnet, and network analysis of nanoporous materials. The details of these works will be shown in the subsequent volumes of this SpringerBriefs in the Mathematics of Materials series by the individual authors. The posterior section of the book presents how breakthroughs based on mathematics–materials science collaborations can emerge. The authors' argument is supported by the experiences at the Advanced Institute for Materials Research (AIMR), where many researchers from various fields gathered and tackled interdisciplinary research.




Computational Materials Science


Book Description

This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.