• Science

Introduction to Computational Materials Science

Fundamentals to Applications
Author: Richard LeSar
Publisher: Cambridge University Press
ISBN: 0521845874
Category: Science
Page: 414
View: 5371
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.

    • Technology & Engineering

Introduction to Computational Materials Science

Fundamentals to Applications
Author: Richard LeSar
Publisher: Cambridge University Press
ISBN: 1107328144
Category: Technology & Engineering
Page: N.A
View: 8453
Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. 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. Modelling 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.

    • Technology & Engineering

Computational Materials Engineering

An Introduction to Microstructure Evolution
Author: Koenraad George Frans Janssens,Dierk Raabe,Ernest Kozeschnik,Mark A Miodownik,Britta Nestler
Publisher: Academic Press
ISBN: 9780080555492
Category: Technology & Engineering
Page: 360
View: 8122
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

    • Science

Computational Materials Science

An Introduction, Second Edition
Author: June Gunn Lee
Publisher: CRC Press
ISBN: 1498749763
Category: Science
Page: 351
View: 8198
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.

    • Granular materials

An Introduction to Modeling and Simulation of Particulate Flows


Author: T. I. Zohdi
Publisher: SIAM
ISBN: 9780898718928
Category: Granular materials
Page: 176
View: 9876
The relatively recent increase in computational power available for mathematical modeling and simulation raises the possibility that modern numerical methods can play a significant role in the analysis of complex particulate flows. An Introduction to Modeling and Simulation of Particulate Flows focuses on basic models and physically based computational solution strategies for the direct and rapid simulation of flowing particulate media. Its emphasis is primarily on fluidized dry particulate flows in which there is no significant interstitial fluid, although fully coupled fluid-particle systems are discussed as well. An introduction to basic computational methods for ascertaining optical responses of particulate systems also is included. The successful analysis of a wide range of applications requires the simulation of flowing particulate media that simultaneously involves near-field interaction and contact between particles in a thermally sensitive environment. These systems naturally occur in astrophysics and geophysics; powder processing pharmaceutical industries; bio-, micro- and nanotechnologies; and applications arising from the study of spray processes involving aerosols, sputtering, and epitaxy. Audience: written for computational scientists, numerical analysts, and applied mathematicians, it will be of interest to civil and mechanical engineers and materials scientists. It is also suitable for first-year graduate students in the applied sciences, engineering, and applied mathematics who have an interest in the computational analysis of complex particulate flows.

    • Science

Plasticity

Fundamentals and Applications
Author: P.M. Dixit,U.S. Dixit
Publisher: CRC Press
ISBN: 1466506180
Category: Science
Page: 602
View: 559
Explores the Principles of Plasticity Most undergraduate programs lack an undergraduate plasticity theory course, and many graduate programs in design and manufacturing lack a course on plasticity—leaving a number of engineering students without adequate information on the subject. Emphasizing stresses generated in the material and its effect, Plasticity: Fundamentals and Applications effectively addresses this need. This book fills a void by introducing the basic fundamentals of solid mechanics of deformable bodies. It provides a thorough understanding of plasticity theory, introduces the concepts of plasticity, and discusses relevant applications. Studies the Effects of Forces and Motions on Solids The authors make a point of highlighting the importance of plastic deformation, and also discuss the concepts of elasticity (for a clear understanding of plasticity, the elasticity theory must also be understood). In addition, they present information on updated Lagrangian and Eulerian formulations for the modeling of metal forming and machining. Topics covered include: Stress Strain Constitutive relations Fracture Anisotropy Contact problems Plasticity: Fundamentals and Applications enables students to understand the basic fundamentals of plasticity theory, effectively use commercial finite-element (FE) software, and eventually develop their own code. It also provides suitable reference material for mechanical/civil/aerospace engineers, material processing engineers, applied mechanics researchers, mathematicians, and other industry professionals.

    • Science

Computational materials science

the simulation of materials microstructures and properties
Author: Dierk Raabe
Publisher: Wiley-VCH Verlag GmbH
ISBN: 9783527295418
Category: Science
Page: 379
View: 6599
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.

    • Technology & Engineering

Fundamentals of Materials Modelling for Metals Processing Technologies

Theories and Applications
Author: Jianguo Lin
Publisher: World Scientific Publishing Company
ISBN: 1783264993
Category: Technology & Engineering
Page: 540
View: 5668
This book provides a comprehensive introduction to the unique theory developed over years of research on materials and process modelling and its application in metal forming technologies. It starts with the introduction of fundamental theories on the mechanics of materials, computational mechanics and the formulation of unified constitutive equations. Particular attention is paid to elastic–plastic formulations for cold metal forming and unified elastic–viscoplastic constitutive equations for warm/hot metals processing. Damage in metal forming and numerical techniques to solve and determine the unified constitutive equations are also detailed. Examples are given for the application of the unified theories to solve practical problems encountered in metal forming processes. This is particularly useful to predict microstructure evolution in warm/hot metal forming processes. Crystal plasticity theories and modelling techniques with their applications in micro-forming are also introduced in the book. The book is self-contained and unified in presentation. The explanations are highlighted to capture the interest of curious readers and complete enough to provide the necessary background material to further explore/develop new theories and applications.

    • Computers

Introduction to Computational Social Science

Principles and Applications
Author: Claudio Cioffi-Revilla
Publisher: Springer
ISBN: 3319501313
Category: Computers
Page: 618
View: 1855
This textbook provides a comprehensive and reader-friendly introduction to the field of computational social science (CSS). Presenting a unified treatment, the text examines in detail the four key methodological approaches of automated social information extraction, social network analysis, social complexity theory, and social simulation modeling. This updated new edition has been enhanced with numerous review questions and exercises to test what has been learned, deepen understanding through problem-solving, and to practice writing code to implement ideas. Topics and features: contains more than a thousand questions and exercises, together with a list of acronyms and a glossary; examines the similarities and differences between computers and social systems; presents a focus on automated information extraction; discusses the measurement, scientific laws, and generative theories of social complexity in CSS; reviews the methodology of social simulations, covering both variable- and object-oriented models.

    • Science

Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Author: Errol G. Lewars
Publisher: Springer Science & Business Media
ISBN: 9048138620
Category: Science
Page: 664
View: 5843
This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.

    • Technology & Engineering

Introduction to Organic Electronic and Optoelectronic Materials and Devices, Second Edition


Author: Sam-Shajing Sun,Larry R. Dalton
Publisher: CRC Press
ISBN: 1466585129
Category: Technology & Engineering
Page: 1069
View: 2306
This book covers the combined subjects of organic electronic and optoelectronic materials/devices. It is designed for classroom instruction at the senior college level. Highlighting emerging organic and polymeric optoelectronic materials and devices, it presents the fundamentals, principle mechanisms, representative examples, and key data.

    • Technology & Engineering

An Introduction to Computational Micromechanics


Author: Tarek I. Zohdi,Peter Wriggers
Publisher: Springer Science & Business Media
ISBN: 3540323600
Category: Technology & Engineering
Page: 195
View: 8088
In this, its second corrected printing, Zohdi and Wriggers’ illuminating text presents a comprehensive introduction to the subject. The authors include in their scope basic homogenization theory, microstructural optimization and multifield analysis of heterogeneous materials. This volume is ideal for researchers and engineers, and can be used in a first-year course for graduate students with an interest in the computational micromechanical analysis of new materials.

    • Computers

Introduction to Transportation Analysis, Modeling and Simulation

Computational Foundations and Multimodal Applications
Author: Dietmar P.F. Möller
Publisher: Springer
ISBN: 1447156374
Category: Computers
Page: 343
View: 1949
This comprehensive textbook/reference provides an in-depth overview of the key aspects of transportation analysis, with an emphasis on modeling real transportation systems and executing the models. Topics and features: presents comprehensive review questions at the end of each chapter, together with detailed case studies, useful links, references and suggestions for further reading; supplies a variety of teaching support materials at the book’s webpage on Springer.com, including a complete set of lecture slides; examines the classification of models used for multimodal transportation systems, and reviews the models and evaluation methods used in transportation planning; explains traffic assignment to road networks, and describes computer simulation integration platforms and their use in the transportation systems sector; provides an overview of transportation simulation tools, and discusses the critical issues in the design, development and use of the simulation models.

    • Science

Modeling Materials

Continuum, Atomistic and Multiscale Techniques
Author: Ellad B. Tadmor,Ronald E. Miller
Publisher: Cambridge University Press
ISBN: 1139500651
Category: Science
Page: N.A
View: 8489
Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.

    • Computers

Introduction to Computation and Programming Using Python

With Application to Understanding Data
Author: John V. Guttag
Publisher: MIT Press
ISBN: 0262529629
Category: Computers
Page: 472
View: 5151
The new edition of an introductory text that teaches students the art of computational problem solving, covering topics ranging from simple algorithms to information visualization.

    • Mathematics

Fundamentals of Scientific Computing


Author: Bertil Gustafsson
Publisher: Springer Science & Business Media
ISBN: 9783642194955
Category: Mathematics
Page: 326
View: 7415
The book of nature is written in the language of mathematics -- Galileo Galilei How is it possible to predict weather patterns for tomorrow, with access solely to today’s weather data? And how is it possible to predict the aerodynamic behavior of an aircraft that has yet to be built? The answer is computer simulations based on mathematical models – sets of equations – that describe the underlying physical properties. However, these equations are usually much too complicated to solve, either by the smartest mathematician or the largest supercomputer. This problem is overcome by constructing an approximation: a numerical model with a simpler structure can be translated into a program that tells the computer how to carry out the simulation. This book conveys the fundamentals of mathematical models, numerical methods and algorithms. Opening with a tutorial on mathematical models and analysis, it proceeds to introduce the most important classes of numerical methods, with finite element, finite difference and spectral methods as central tools. The concluding section describes applications in physics and engineering, including wave propagation, heat conduction and fluid dynamics. Also covered are the principles of computers and programming, including MATLAB®.

    • Computers

Computational Materials Science

Surfaces, Interfaces, Crystallization
Author: A.M. Ovrutsky,A. S Prokhoda,M.S. Rasshchupkyna
Publisher: Elsevier
ISBN: 0124202071
Category: Computers
Page: 388
View: 8054
Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. Valuable reference book, but also helpful as a supplement to courses Computer programs available to supplement examples Presents several new methods of computational materials science and clearly summarizes previous methods and results

    • Computers

Introduction to Python for Engineers and Scientists

Open Source Solutions for Numerical Computation
Author: Sandeep Nagar
Publisher: Apress
ISBN: 1484232046
Category: Computers
Page: 254
View: 6034
Familiarize yourself with the basics of Python for engineering and scientific computations using this concise, practical tutorial that is focused on writing code to learn concepts. Introduction to Python is useful for industry engineers, researchers, and students who are looking for open-source solutions for numerical computation. In this book you will learn by doing, avoiding technical jargon, which makes the concepts easy to learn. First you’ll see how to run basic calculations, absorbing technical complexities incrementally as you progress toward advanced topics. Throughout, the language is kept simple to ensure that readers at all levels can grasp the concepts. What You'll Learn Understand the fundamentals of the Python programming language Apply Python to numerical computational programming projects in engineering and science Discover the Pythonic way of life Apply data types, operators, and arrays Carry out plotting for visualization Work with functions and loops Who This Book Is For Engineers, scientists, researchers, and students who are new to Python. Some prior programming experience would be helpful but not required.

    • Technology & Engineering

Magnetic Materials

Fundamentals and Applications
Author: Nicola A. Spaldin
Publisher: Cambridge University Press
ISBN: 1139491555
Category: Technology & Engineering
Page: N.A
View: 4131
Magnetic Materials is an excellent introduction to the basics of magnetism, magnetic materials and their applications in modern device technologies. Retaining the concise style of the original, this edition has been thoroughly revised to address significant developments in the field, including the improved understanding of basic magnetic phenomena, new classes of materials, and changes to device paradigms. With homework problems, solutions to selected problems and a detailed list of references, Magnetic Materials continues to be the ideal book for a one-semester course and as a self-study guide for researchers new to the field. New to this edition: • Entirely new chapters on Exchange Bias Coupling, Multiferroic and Magnetoelectric Materials, Magnetic Insulators • Revised throughout, with substantial updates to the chapters on Magnetic Recording and Magnetic Semiconductors, incorporating the latest advances in the field • New example problems with worked solutions