Introduction to Computational Materials Science

Author: Richard LeSar
Publisher: Cambridge University Press
ISBN: 9780521845878
Release Date: 2013-03-28
Genre: Science

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modeling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Computational Materials Engineering

Author: Koenraad George Frans Janssens
Publisher: Academic Press
ISBN: 0080555497
Release Date: 2010-07-26
Genre: Technology & 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 scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers. Readers from students to practicing engineers to materials research scientists will find in this book a single source of the major elements that make up contemporary computer modeling of materials characteristics and behavior. The reader will gain an understanding of the underlying statistical and analytical tools that are the basis for modeling complex material interactions, including an understanding of computational thermodynamics and molecular kinetics; as well as various modeling systems. Finally, the book will offer the reader a variety of algorithms to use in solving typical modeling problems so that the theory presented herein can be put to real-world use. Balanced coverage of fundamentals of materials modeling, as well as more advanced aspects of modeling, such as modeling at all scales from the atomic to the molecular to the macro-material Concise, yet rigorous mathematical coverage of such analytical tools as the Potts type Monte Carlo method, cellular automata, phase field, dislocation dynamics and Finite Element Analysis in statistical and analytical modeling

Materials A Very Short Introduction

Author: Christopher Hall
Publisher: OUP Oxford
ISBN: 9780191653100
Release Date: 2014-10-23
Genre: Science

The study of materials is a major field of research that supports and drives innovation in technology. Using modern scientific techniques, materials scientists and engineers explore and manipulate materials, and create new ones with remarkable strength and extraordinary optical and electrical properties. In this Very Short Introduction, Christopher Hall looks at a wide range of materials, from steel, wood, and rubber, to gold, silicon, and graphene, describing how materials are used, how their properties arise from their internal structure, and how useful and novel things are made from them. He concludes by looking at how the global scale of materials consumption now threatens the goal of sustainability. ABOUT THE SERIES: The Very Short Introductions series from Oxford University Press contains hundreds of titles in almost every subject area. These pocket-sized books are the perfect way to get ahead in a new subject quickly. Our expert authors combine facts, analysis, perspective, new ideas, and enthusiasm to make interesting and challenging topics highly readable.

Computational Materials Science

Author: Wofram Hergert
Publisher: Springer Science & Business Media
ISBN: 3540210512
Release Date: 2004-04-29
Genre: Science

Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications.

Computational Materials Design

Author: Tetsuya Saito
Publisher: Springer Science & Business Media
ISBN: 9783662039236
Release Date: 2013-04-17
Genre: Science

This book consists of ten chapters which outline a wide range of technologies from first-principle calculations to continuum mechanics, with applications to materials design and development. Written with a clear exposition, this book will be invaluable for engineers who want to learn about the modern technologies and techniques utilized in materials design.

Computational Multiscale Modeling of Fluids and Solids

Author: Martin Steinhauser
Publisher: Springer
ISBN: 9783662532249
Release Date: 2016-11-22
Genre: Science

The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the basic physical principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale, and the chapters follow this classification. The book explains in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. The second edition has been expanded by new sections in computational models on meso/macroscopic scales for ocean and atmosphere dynamics. Numerous applications in environmental physics and geophysics had been added.

Programmieren lernen mit Python

Author: Allen B. Downey
Publisher: O'Reilly Germany
ISBN: 9783955618070
Release Date: 2014-08-27
Genre: Computers

Python ist eine moderne, interpretierte, interaktive und objektorientierte Skriptsprache, vielseitig einsetzbar und sehr beliebt. Mit mathematischen Vorkenntnissen ist Python leicht erlernbar und daher die ideale Sprache für den Einstieg in die Welt des Programmierens. Das Buch führt Sie Schritt für Schritt durch die Sprache, beginnend mit grundlegenden Programmierkonzepten, über Funktionen, Syntax und Semantik, Rekursion und Datenstrukturen bis hin zum objektorientierten Design. Zur aktualisierten Auflage Diese Auflage behandelt Python 3, geht dabei aber auch auf Unterschiede zu Python 2 ein. Außerdem wurde das Buch um die Themen Unicode, List und Dictionary Comprehensions, den Mengen-Typ Set, die String-Format-Methode und print als Funktion ergänzt. Jenseits reiner Theorie Jedes Kapitel enthält passende Übungen und Fallstudien, kurze Verständnistests und kleinere Projekte, an denen Sie die neu erlernten Programmierkonzepte gleich ausprobieren und festigen können. Auf diese Weise können Sie das Gelernte direkt anwenden und die jeweiligen Programmierkonzepte nachvollziehen. Lernen Sie Debugging-Techniken kennen Am Ende jedes Kapitels finden Sie einen Abschnitt zum Thema Debugging, der Techniken zum Aufspüren und Vermeiden von Bugs sowie Warnungen vor entsprechenden Stolpersteinen in Python enthält.

Multiscale Materials Modelling

Author: Z. X. Guo
Publisher: Elsevier
ISBN: 9781845693374
Release Date: 2007-05-31
Genre: Technology & Engineering

Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications. The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling is a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design. Reviews the principles and applications of mult-scale materials modelling Covers themes such as dislocation behaviour and plasticity and the modelling of structural materials Examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling

Optimierung in C

Author: Claus Richter
Publisher: John Wiley & Sons
ISBN: 9783527800797
Release Date: 2016-11-02
Genre: Mathematics

Die Optimierung ist einer der bedeutendsten Zweige der Mathematik mit weitreichenden Anwendungen in der Statistik, Physik, Meteorologie bis hin zur Wirtschaft und Unternehmensforschung. Ziel der Optimierung ist eine Minimierung oder Maximierung der im jeweiligen System relevanten Parameter unter einschr?nkenden Nebenbedingungen. Praxisbezogen f?hrt Claus Richter in die Algorithmen der Optimierung ein. Einsteiger und Fortgeschrittene werden gleicherma?en auf den heutigen Stand der Dinge gebracht. In klaren Schritten umrei?t der Autor die Grundlagen dieses Gebietes, beginnend mit Definitionen und Optimalit?tsbedingungen, um sich dann direkt an den C++-Programmierer zu wenden. Der n?tige mathematische Apparat, die verwendete Programmiersprache C++ und ihre Klassen werden vorgestellt. Damit stellt der Autor ein einheitliches Niveau her und wird so einer breiten Leserschaft gerecht. Im Folgenden werden 20 Verfahren der linearen, quadratischen und nichtlinearen Optimierung behandelt und dem Anwender n?hergebracht. Jeder Algorithmus wird im Aufbau erl?utert und an einem konkreten Beispiel demonstriert. F?nf weitere Kapitel widmen sich anwendungsbezogenen Sachverhalten, u.a. der Parameteridentifikation, optimalen Steuerung und Strukturoptimierung. Durch die Bereitstellung der diskutierten Algorithmen und Beispiele als C++-Klassen gew?hrleistet das Buch einen optimalen Einstieg in die Optimierung. Mit C++-Programmen zum Download unter www.wiley-vch.de/publish/dt/books/ISBN3-527-34107-2.

Fundamentals of Friction

Author: I.L. Singer
Publisher: Springer Science & Business Media
ISBN: 9789401128117
Release Date: 2012-12-06
Genre: Science

Fundamentals of Friction, unlike many books on tribology, is devoted to one specific topic: friction. After introductory chapters on scientific and engineering perspectives, the next section contains the necessary background within the areas of contact mechanics, surfaces and adhesion. Then on to fracture, deformation and interface shear, from the macroscopic behavior of materials in frictional contact to microscopic models of uniform and granular interfaces. Lubrication by solids, liquids and gases is presented next, from classical flow properties to the reorganization of monolayers of molecules under normal and shear stresses. A section on new approaches at the nano- and atomic scales covers the physics and chemistry of interfaces, an array of visually exciting simulations, using molecular dynamics, of solids and liquids in sliding contact, and related AFM/STM studies. Following a section on machines and measurements, the final chapter discusses future issues in friction.

Computational materials science

Author: Dierk Raabe
Publisher: Wiley-VCH Verlag GmbH
ISBN: 3527295410
Release Date: 1998-10-27
Genre: Science

Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled. This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.

Opportunities in Protection Materials Science and Technology for Future Army Applications

Author: Committee on Opportunities in Protection Materials Science and Technology for Future Army Applications
Publisher: National Academies Press
ISBN: 9780309212854
Release Date: 2011-07-27
Genre: Technology & Engineering

Armor plays a significant role in the protection of warriors. During the course of history, the introduction of new materials and improvements in the materials already used to construct armor has led to better protection and a reduction in the weight of the armor. But even with such advances in materials, the weight of the armor required to manage threats of ever-increasing destructive capability presents a huge challenge. Opportunities in Protection Materials Science and Technology for Future Army Applications explores the current theoretical and experimental understanding of the key issues surrounding protection materials, identifies the major challenges and technical gaps for developing the future generation of lightweight protection materials, and recommends a path forward for their development. It examines multiscale shockwave energy transfer mechanisms and experimental approaches for their characterization over short timescales, as well as multiscale modeling techniques to predict mechanisms for dissipating energy. The report also considers exemplary threats and design philosophy for the three key applications of armor systems: (1) personnel protection, including body armor and helmets, (2) vehicle armor, and (3) transparent armor. Opportunities in Protection Materials Science and Technology for Future Army Applications recommends that the Department of Defense (DoD) establish a defense initiative for protection materials by design (PMD), with associated funding lines for basic and applied research. The PMD initiative should include a combination of computational, experimental, and materials testing, characterization, and processing research conducted by government, industry, and academia.

Integrated Computational Materials Engineering ICME for Metals

Author: Mark F. Horstemeyer
Publisher: John Wiley & Sons
ISBN: 9781118342657
Release Date: 2012-06-07
Genre: Technology & Engineering

State-of-the-technology tools for designing, optimizing, and manufacturing new materials Integrated computational materials engineering (ICME) uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. Increasingly, ICME is the preferred paradigm for design, development, and manufacturing of structural products. Written by one of the world's leading ICME experts, this text delivers a comprehensive, practical introduction to the field, guiding readers through multiscale materials processing modeling and simulation with easy-to-follow explanations and examples. Following an introductory chapter exploring the core concepts and the various disciplines that have contributed to the development of ICME, the text covers the following important topics with their associated length scale bridging methodologies: Macroscale continuum internal state variable plasticity and damage theory and multistage fatigue Mesoscale analysis: continuum theory methods with discrete features and methods Discrete dislocation dynamics simulations Atomistic modeling methods Electronics structures calculations Next, the author provides three chapters dedicated to detailed case studies, including "From Atoms to Autos: A Redesign of a Cadillac Control Arm," that show how the principles and methods of ICME work in practice. The final chapter examines the future of ICME, forecasting the development of new materials and engineering structures with the help of a cyberinfrastructure that has been recently established. Integrated Computational Materials Engineering (ICME) for Metals is recommended for both students and professionals in engineering and materials science, providing them with new state-of-the-technology tools for selecting, designing, optimizing, and manufacturing new materials. Instructors who adopt this text for coursework can take advantage of PowerPoint lecture notes, a questions and solutions manual, and tutorials to guide students through the models and codes discussed in the text.