Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Download or read book Computational Thermodynamics written by H. L. Lukas and published by . This book was released on 2007-07-12 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is the first introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.
Download or read book Computational Thermodynamics of Materials written by Zi-Kui Liu and published by Cambridge University Press. This book was released on 2016-06-30 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a thorough grounding in the subject. Topics covered range from the underlying thermodynamic principles, to the theory and methodology of thermodynamic data collecting, analysis, modeling, and verification, with details on free energy, phase equilibrium, phase diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors focus on the CALPHAD method and first-principles calculations. They also provide guidance for use of YPHON, a mixed-space phonon code developed by the authors for polar materials based on the supercell approach. Including worked examples, case studies, and end-of-chapter problems, this is an essential resource for students, researchers, and practitioners in materials science.
Download or read book Computational Thermochemistry written by Karl K. Irikura and published by . This book was released on 1998 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises 20 contributions which grew from the August 1996 symposium. Representative paper topics include estimating phase- change enthalpies and entropies, electrostatic-covalent model parameters for molecular modeling, complete basis-set thermochemistry and kinetics, modeling free energies of solvation and transfer, use of density functional methods to compute heats of reaction, and a density functional study of periodic trends in bond energies. Together the contributions describe all the major methods used for estimating or predicting molecular thermochemistry. Appends information on software and databases for thermochemistry, essential statistical thermodynamics, and worked examples. Annotation copyrighted by Book News, Inc., Portland, OR
Download or read book Computational Statistical Mechanics written by W.G. Hoover and published by Elsevier. This book was released on 2012-12-02 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Statistical Mechanics describes the use of fast computers to simulate the equilibrium and nonequilibrium properties of gases, liquids, and solids at, and away from equilibrium. The underlying theory is developed from basic principles and illustrated by applying it to the simplest possible examples. Thermodynamics, based on the ideal gas thermometer, is related to Gibb's statistical mechanics through the use of Nosé-Hoover heat reservoirs. These reservoirs use integral feedback to control temperature. The same approach is carried through to the simulation and analysis of nonequilibrium mass, momentum, and energy flows. Such a unified approach makes possible consistent mechanical definitions of temperature, stress, and heat flux which lead to a microscopic demonstration of the Second Law of Thermodynamics directly from mechanics. The intimate connection linking Lyapunov-unstable microscopic motions to macroscopic dissipative flows through multifractal phase-space structures is illustrated with many examples from the recent literature. The book is well-suited for undergraduate courses in advanced thermodynamics, statistical mechanic and transport theory, and graduate courses in physics and chemistry.
Download or read book Thermitic Thermodynamics written by Anthony Peter Gordon Shaw and published by CRC Press. This book was released on 2020-05-13 with total page 1579 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thermites, which are generally considered to be reactive mixtures of powdered metals and metal oxides, are an important subset of energetic materials. The underlying thermodynamic properties of a given mixture dictate whether it may undergo a self-sustaining reaction, liberating heat in the process. Thermodynamic information in the existing scientific literature regarding thermitic combinations is scattered and incomplete. Currently, a comprehensive overview of this nature would be of great use to those working in the areas of pyrotechnics, pyrometallurgy, high-temperature chemistry, and materials science. Thermitic Thermodynamics solves this problem by describing the results of calculations on over 800 combinations of metal, metalloid, and metal oxide reactants. Other features include: A first-of-its-kind adiabatic survey of binary thermitic reactions Provides an overview of key trends in exothermic metal-metal oxide reactivity Describes the role of non-oxide product formation in thermitic systems Explains how to interpret the results of thermochemical calculations effectively An invaluable resource, this book provides an accessible introduction for students and is also an enduring guide for professionals.
Download or read book The Energetics of Computing in Life and Machines written by Chris Kempes and published by Seminar. This book was released on 2018-09 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Why do computers use so much energy? What are the fundamental physical laws governing the relationship between the precise computation run by a system, whether artificial or natural, and how much energy that computation requires? This volume integrates concepts from diverse fields, cultivating a modern, nonequilibrium thermodynamics of computation.
Download or read book Computational Materials Engineering written by Koenraad George Frans Janssens and published by Academic Press. This book was released on 2010-07-26 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Thermodynamics of Microstructures written by Taiji Nishizawa and published by ASM International. This book was released on 2008-01-01 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Thermodynamic Properties in SI written by William C. Reynolds and published by . This book was released on 1979 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Molecular Biology written by J. Leszczynski and published by Elsevier. This book was released on 1999-06-10 with total page 663 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers applications of computational techniques to biological problems. These techniques are based by an ever-growing number of researchers with different scientific backgrounds - biologists, chemists, and physicists.The rapid development of molecular biology in recent years has been mirrored by the rapid development of computer hardware and software. This has resulted in the development of sophisticated computational techniques and a wide range of computer simulations involving such methods. Among the areas where progress has been profound is in the modeling of DNA structure and function, the understanding at a molecular level of the role of solvents in biological phenomena, the calculation of the properties of molecular associations in aqueous solutions, computationally assisted drug design, the prediction of protein structure, and protein - DNA recognition, to mention just a few examples. This volume comprises a balanced blend of contributions covering such topics. They reveal the details of computational approaches designed for biomoleucles and provide extensive illustrations of current applications of modern techniques.A broad group of readers ranging from beginning graduate students to molecular biology professions should be able to find useful contributions in this selection of reviews.
Download or read book Statistical Thermodynamics written by John W. Daily and published by Cambridge University Press. This book was released on 2018-12-20 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clearly connects macroscopic and microscopic thermodynamics and explains non-equilibrium behavior in kinetic theory and chemical kinetics.
Download or read book Statistical Mechanics Algorithms and Computations written by Werner Krauth and published by Oxford University Press, USA. This book was released on 2006-09-14 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the computational approach in modern statistical physics in a clear and accessible way and demonstrates its close relation to other approaches in theoretical physics. Individual chapters focus on subjects as diverse as the hard sphere liquid, classical spin models, single quantum particles and Bose-Einstein condensation. Contained within the chapters are in-depth discussions of algorithms, ranging from basic enumeration methods to modern Monte Carlo techniques. The emphasis is on orientation, with discussion of implementation details kept to a minimum. Illustrations, tables and concise printed algorithms convey key information, making the material very accessible. The book is completely self-contained and graphs and tables can readily be reproduced, requiring minimal computer code. Most sections begin at an elementary level and lead on to the rich and difficult problems of contemporary computational and statistical physics. The book will be of interest to a wide range of students, teachers and researchers in physics and the neighbouring sciences. An accompanying CD allows incorporation of the book's content (illustrations, tables, schematic programs) into the reader's own presentations.
Download or read book Quantum Thermodynamics written by Sebastian Deffner and published by Morgan & Claypool Publishers. This book was released on 2019-07-02 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the emerging field of quantum thermodynamics, with particular focus on its relation to quantum information and its implications for quantum computers and next generation quantum technologies. The text, aimed at graduate level physics students with a working knowledge of quantum mechanics and statistical physics, provides a brief overview of the development of classical thermodynamics and its quantum formulation in Chapter 1. Chapter 2 then explores typical thermodynamic settings, such as cycles and work extraction protocols, when the working material is genuinely quantum. Finally, Chapter 3 explores the thermodynamics of quantum information processing and introduces the reader to some more state of-the-art topics in this exciting and rapidly developing research field.
Download or read book Applied Mathematics Body and Soul written by Kenneth Eriksson and published by Springer Science & Business Media. This book was released on 2013-12-11 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Mathematics: Body & Soul is a mathematics education reform project developed at Chalmers University of Technology and includes a series of volumes and software. The program is motivated by the computer revolution opening new possibilitites of computational mathematical modeling in mathematics, science and engineering. It consists of a synthesis of Mathematical Analysis (Soul), Numerical Computation (Body) and Application. Volumes I-III present a modern version of Calculus and Linear Algebra, including constructive/numerical techniques and applications intended for undergraduate programs in engineering and science. Further volumes present topics such as Dynamical Systems, Fluid Dynamics, Solid Mechanics and Electro-Magnetics on an advanced undergraduate/graduate level. The authors are leading researchers in Computational Mathematics who have written various successful books.
Download or read book Thermodynamic Models written by Michael L. Michelsen and published by . This book was released on 2007 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advanced Thermodynamics Engineering Second Edition written by Kalyan Annamalai and published by CRC Press. This book was released on 2011-03-22 with total page 1144 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Thermodynamics Engineering, Second Edition is designed for readers who need to understand and apply the engineering physics of thermodynamic concepts. It employs a self-teaching format that reinforces presentation of critical concepts, mathematical relationships, and equations with concrete physical examples and explanations of applications—to help readers apply principles to their own real-world problems. Less Mathematical/Theoretical Derivations—More Focus on Practical Application Because both students and professionals must grasp theory almost immediately in this ever-changing electronic era, this book—now completely in decimal outline format—uses a phenomenological approach to problems, making advanced concepts easier to understand. After a decade teaching advanced thermodynamics, the authors infuse their own style and tailor content based on their observations as professional engineers, as well as feedback from their students. Condensing more esoteric material to focus on practical uses for this continuously evolving area of science, this book is filled with revised problems and extensive tables on thermodynamic properties and other useful information. The authors include an abundance of examples, figures, and illustrations to clarify presented ideas, and additional material and software tools are available for download. The result is a powerful, practical instructional tool that gives readers a strong conceptual foundation on which to build a solid, functional understanding of thermodynamics engineering.
