This book presents advanced and practical techniques for performance optimization for highly parallel processing. Featuring various parallelization techniques in material science, it is a valuable resource for anyone developing software codes for computational sciences such as physics, chemistry, biology, earth sciences, space science, weather, disaster prevention and manufacturing, as well as for anyone using those software codes.Chapter 1 outlines supercomputers and includes a brief explanation of the history of hardware. Chapter 2 presents procedures for performance evaluation, while Chapter 3 describes the set of tuned applications in materials science, nanoscience and nanotechnology, earth science and engineering on the K computer. Introducing the order-N method, based on density functional theory (DFT) calculation, Chapter 4 explains how to extend the applicability of DFT to large-scale systems by reducing the computational complexity. Chapter 5 discusses acceleration and parallelization in classical molecular dynamics simulations, and lastly, Chapter 6 explains techniques for large-scale quantum chemical calculations, including the order-N method. This is the second of the two volumes that grew out of a series of lectures in the K computer project in Japan. The first volume addresses more basic techniques, and this second volume focuses on advanced and concrete techniques.

The changing structure of the electric utility industry has had a significant impact on power system design and operation. In particular, the incorporation of flexible a.c. transmission system (FACTS) devices and high voltage direct current (HVDC) links into conventional computational programs presents new challenges in power system modelling. Responding to these changes, Computer Modelling of Electrical Power Systems, Second Edition presents modern analysis tools for the design and improvement of power system performance.
This fully revised and updated edition features:

• The incorporation of HVDC and FACTS devices in power flow and system stability with detailed descriptions of the relevant algorithms.
• Extensive coverage of the EMTP (electromagnetic transient program) method - a key development in power system simulation.
• The use and impact of personal computers in power system simulation, with emphasis on efficient computational techniques for interactive work.

Practising engineers involved in the power system industry will value this timely update of a classic reference. Researchers and advanced electrical engineering students will appreciate the clear treatment of the latest analytical techniques.

The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.
Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field.
Covering developments in the field since the first publication, this title also includes updated text and new material on:

• Molecular Dynamics

• Dealing with the Solvent

This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.

It is estimated that windows in office buildings are responsible for one third of energy used for their heating and cooling. Designing window shading that balances often contradictory goals of preventing excessive heat gains in hot periods, without compromising beneficial heat gains in cold periods or visual comfort in indoor spaces of modern buildings with highly glazed facades, is an interesting multi-objective optimisation problem that represents an active research topic in the field of building energy and daylighting. Window overhangs are the simplest and most traditional shading devices that are easy to install, highly cost-effective, require low or no maintenance and offer unobstructed views outside. This book provides a review of overhang design methods for optimal thermal and daylighting performance. It starts with a historical overview of methods based on solar positions and shading masks. Next it discusses current research methodology, including shading calculation methods, ways of quantifying thermal and daylighting overhang effectiveness and the use of multi-objective optimisation approaches, together with the case studies that employ them. It further covers methods for designing innovative overhang types such as NURBS outlined overhangs and PV integrated dynamic overhangs. The appendix classifies published overhang case studies according to major climate type and latitude of their locations. As such, the book presents a valuable resource for understanding subtle nuances of interaction between solar radiation, shading devices and indoor comfort. The intended target audience are building energy researchers interested in optimisation of window shading devices.

Understanding how to properly manage urban stormwater is a critical concern to civil and environmental engineers the world over. Mismanagement of stormwater and urban runoff results in flooding, erosion, and water quality problems. In an effort to develop better management techniques, engineers have come to rely on computer simulation and advanced mathematical modeling techniques to help plan and predict water system performance. This important book outlines a new method that uses probability tools to model how stormwater behaves and interacts in a combined- or single-system municipal water system. Complete with sample problems and case studies illustrating how concepts really work, the book presents a cost-effective, easy-to-master approach to analytical modeling of stormwater management systems.

"Current Topics in Membranes" provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology.
*Discusses the current stat of electrostatics in biomolecular simulations and future directions
*Includes information on time and length scales in lipid bilayer simulations
*Includes a chapter on the nature of lipid rafts

Modeling is a key component to sciences from mathematics to life science, including environmental and ecological studies. By looking at the underlying concepts of the software, we can make sure that we build mathematically feasible models and that we get the most out of the data and information that we have. This book shows how models can be analyzed using simple math and software to generate meaningful qualitative descriptions of system dynamics. This book shows that even without a full analytical, mathematically rigorous analysis of the equations, there may be ways to derive some qualitative understanding of the general behavior of a system. By relating some of the modeling approaches and systems theory to real-world examples the book illustrates how these approaches can help understand concepts such as sustainability, peak oil, adaptive management, optimal harvest and other practical applications.
* Relates modeling approaches and systems theory to real-world examples
* Teaches students to build mathematically feasible models and get the most out of the data and information available
* Wide range of applications in hydrology, population dynamics, market cycles, sustainability theory, management, and more

Everything you need to know about developing hardware-accelerated 3D graphics with WebGL

As the newest technology for creating 3D graphics on the web, in both games, applications, and on regular websites, WebGL gives web developers the capability to produce eye-popping graphics. This book teaches you how to use WebGL to create stunning cross-platform apps. The book features several detailed examples that show you how to develop 3D graphics with WebGL, including explanations of code snippets that help you understand the why behind the how.

You will also develop a stronger understanding of WebGL development from coverage that:

-Provides a comprehensive overview of WebGL and shows how it relates to other graphics-related technologies-Addresses important topics such as the WebGL graphics pipeline, 3D transformations, texturing and lighting -Teaches you how to write vertex shaders and fragment shaders for WebGL -Includes a lot of useful guidelines, tips, and tricks for WebGL performance optimizations

Professional WebGL Programming is the first book on the market to delve into this fascinating topic and it puts you on your way to mastering the possibilities that exist with WebGL.

Computational welding mechanics (CWM) provides an important technique for modelling welding processes. Welding simulations are a key tool in improving the design and control of welding processes and the performance of welded components or structures. CWM can be used to model phenomena such as heat generation, thermal stresses and large plastic deformations of components or structures. It also has a wider application in modelling thermomechanical and microstructural phenomena in metals. This important book reviews the principles, methods and applications of CWM.
The book begins by discussing the physics of welding before going on to review modelling methods and options as well as validation techniques. It also reviews applications in areas such as fatigue, buckling and deformation, improved service life of components and process optimisation. Some of the numerical methods described in the book are illustrated using software available from the author which allows readers to explore CWM in more depth.
Computational welding mechanics is a standard work for welding engineers and all those researching welding processes and wider thermomechanical and microstructural phenomena in metals.
Highlights the principles, methods and applications of CWMDiscusses the physics of weldingAssesses modelling methods and validation techniques

Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. The book covers the full breadth of (micro)porous materials, from inorganic (zeolites), to organic including porous polymers and porous molecular materials, and hybrid materials (metal-organic frameworks). Through chapters focusing on techniques for specific types of applications and properties, the book outlines the challenges and opportunities in applying approaches and methods to different classes of systems, including a discussion of high-throughput screening. There is a strong forward-looking focus, to identify where increased computer power or artificial intelligence techniques such as machine learning have the potential to open up new avenues of research. Edited by a world leader in the field, this title provides a valuable resource for not only computational researchers, but also gives an overview for experimental researchers. It is presented at a level accessible to advanced undergraduates, postgraduates and researchers wishing to learn more about the topic.

This book explores the theory and methods of systems analysis and computer modeling as applied to problems in ecology and natural resource management. It reflects the problems and conflicts between competing uses of limited space and the need for quantitative predictors of the outcome of various management strategies.

Modeling and computing is becoming an essential part of the analysis and design of an engineered system. This is also true of "geotechnical systems", such as soil foundations, earth dams and other soil-structure systems. The general goal of modeling and computing is to predict and understand the behaviour of the system subjected to a variety of possible conditions/scenarios (with respect to both external stimuli and system parameters), which provides the basis for a rational design of the system. The essence of this is to predict the response of the system to a set of external forces. The modelling and computing essentially involve the following three phases: (a) Idealization of the actual physical problem, (b) Formulation of a mathematical model represented by a set of equations governing the response of the system, and (c) Solution of the governing equations (often requiring numerical methods) and graphical representation of the numerical results. This book will introduce these phases. MATLAB (R) codes and MAPLE (R) worksheets are available for those who have bought the book. Please contact the author at [email protected] or [email protected]. Kindly provide the invoice number and date of purchase.

The Molecular Solid State Founding Editor: J. D. Dunitz ETH Zentrum, ZA1/4rich, Switzerland This new series reports on advances in the field of molecular solid state chemistry. Each volume focuses on selected areas and highlights methods and results in syntheses, properties and applications. Future volumes will provide a continuing forum for the discussion of chemical, physical, biological and crystallographic aspects of the molecular solid state. Theoretical Aspects and Computer Modeling of the Molecular Solid State Edited by Angelo Gavezzotti, University of Milan, Italy Focusing on crystal symmetry, intermolecular forces and the thermodynamics of solids and phase transitions, this first volume in the series provides the basic theoretical framework for understanding the molecular solid state. This compendium of reviews opens the way to the computer modeling of molecules and molecular crystals, enabling the reproduction and prediction of structural and energetic properties. This forms the basis for understanding the exciting developments in experimental techniques and the design and creation of novel materials. An appreciation of the underlying theories and uses of molecular modeling packages is essential for the solid state chemist. Angelo Gavezzotti is a professor of physical chemistry at the University of Milan and a renowned expert in the theoretical and computer modeling of organic solids. He provides an introductory chapter on crystal symmetry and molecular recognition, a topic that is essential in understanding how crystals grow and how crystal properties are related to the physical properties of solids. Theoretical Aspects and Computer Modeling of the Molecular Solid State isinvaluable to theoretical chemists in materials science, crystallography and solid state chemistry.

The second part of a yearly series on simulation technology, OBJECT-ORIENTED SIMULATION presents an outstanding variety of the very latest advances in simulation techniques. This leading-edge volume contains a cohesive selection of presentations written by the world-renowned experts in a broad range of topics. OBJECT-ORIENTED SIMULATION is a key resource for anyone involved in computer simulator research and design as well as developers, producers, scholars, and managers. It is an excellent tool for preparing proposals for simulation in commercial and military fields.

Environmental Behaviour of Agrochemicals deals with a major area of concern regarding the use of agrochemicals - the potential for contamination of soil, air and water. This ninth volume in the Progress in Pesticide Biochemistry and Toxicology series, provides an international outlook on the impact of the production and use of agrochemicals on the environment, In Environmental Behaviour of Agrochemicals emphasis is placed on the methods for assessing the movement of pesticides into ground water from a variety of perspectives, and run-off of agrochemicals from soil into surface water. In addition to detailed accounts of recommended analytical methodologies for environmental samples, an in-depth overview is given of recent developments in the use of computer simulation models for assessing environmental fate. Coverage also includes the current status of biosensors for in vitro measurements for environmental analysis, volatization of agrochemicals and estimation of physico-chemical properties. Environmental Behaviour of Agrochemicals brings together contributions from internationally renowned experts to discuss a developing topic which is of vital importance to both producers and users of agrochemicals.

Workflows are being rethought and remodelled across the architecture, engineering and construction (AEC) spectrum. The synthesis of building information modelling (BIM) platforms with digital simulation techniques and increasing access to data, charting building performance, is allowing architects to engage in the generation of new workflows across multidisciplinary teams. By merging digital design operations with construction activities, project delivery and post-occupation scenarios, architects are becoming instrumental in the shaping of buildings as well as the design process. Workflows expand the territory of architectural practice by extending designers remit beyond the confines of the design stage. The implications for the AEC industry and architecture as a profession could not be greater. These new collaborative models are becoming as important as the novel buildings they allow us to produce. Contributors include: Shajay Bhooshan, John Cays, Randy Deutsch, Sean Gallagher, Ian Keough, Peter Kis, Jonathan Mallie, Adam Modesitt, Rhett Russo, Dale Sinclair, and Stacie Wong. Featured architects: Arup, Diller Scofidio + Renfro, GLUCK+, GRO Architects, PLANT, Populous, Young & Ayata, and Zaha Hadid Architects.

Helps you ensure that your simulations are appropriate representations of real-world systems. The book concentrates on the differentiation between the assessment of a simulation tool and the verification and validation of general software products. It is a systematic, procedural, practical guide that you can use to enhance the credibility of your simulation models. In addition, it is a valuable reference book and a road map for software developers and quality assurance experts, or as a text for simulation methodology and software engineering courses.
This book details useful assessment procedures and phases, discusses ways to tailor the methodology for specific situations and objectives, and provides numerous assessment aids. The reader can use these aids to support ongoing assessments over the entire life cycle of the model.

This volume in the Encyclopedia of Complexity and Systems Science (ECSS) covers such fascinating and practical topics as (i) Vehicular traffic flow theory, (ii) Studies of real field traffic data, (iii) Complex phenomena of self-organization in vehicular traffic, (iv) Effect of automatic driving (self-driving vehicles) on traffic flow, v) Complex dynamics of city traffic, (vi) Dynamic control and optimization of traffic and transportation networks, including dynamic traffic assignment in the network, (vii) Pedestrian traffic, (viii) Evacuation scenarios, and (ix) Network characteristics of air control. Review articles are written by international experts covering the diverse and complex dynamics of traffic management. Topics new to the Second Edition of ECSS include microscopic traffic flow models, self-driving, complex dynamics of bus, tram and elevator delays, and breakdown minimization.

This book is centred about the Principle of virtual work and the related method for mechanical modelling. It aims at showing and enhancing the polyvalence and versatility of the virtual work approach in the mechanical modelling process. The virtual work statement is set as the principle at the root of a force modelling method that can be implemented on any geometrical description. After experimentally induced hypotheses have been made on the geometrical parameters that describe the concerned system and subsystems, the method provides a unifying framework for building up consistently associated force models where external and internal forces are introduced through their virtual rates of work. Systems described as three-dimensional, curvilinear or planar continua are considered: force models are established with the corresponding equations of motion; the validation process points out that enlarging the domain of relevance of the model for practical applications calls for an enrichment of the geometrical description that takes into account the underlying microstructure.

...a much-needed handbook with contributions from well-chosen practitioners. A primary accomplishment is to provide guidance for those involved in modeling and simulation in support of Systems of Systems development, more particularly guidance that draws on well-conceived academic research to define concepts and terms, that identifies primary challenges for developers, and that suggests fruitful approaches grounded in theory and successful examples. Paul Davis, The RAND Corporation Modeling and Simulation Support for System of Systems Engineering Applications provides a comprehensive overview of the underlying theory, methods, and solutions in modeling and simulation support for system of systems engineering. Highlighting plentiful multidisciplinary applications of modeling and simulation, the book uniquely addresses the criteria and challenges found within the field. Beginning with a foundation of concepts, terms, and categories, a theoretical and generalized approach to system of systems engineering is introduced, and real-world applications via case studies and examples are presented. A unified approach is maintained in an effort to understand the complexity of a single system as well as the context among other proximate systems. In addition, the book features: * Cutting edge coverage of modeling and simulation within the field of system of systems, including transportation, system health management, space mission analysis, systems engineering methodology, and energy * State-of-the-art advances within multiple domains to instantiate theoretic insights, applicable methods, and lessons learned from real-world applications of modeling and simulation * The challenges of system of systems engineering using a systematic and holistic approach * Key concepts, terms, and activities to provide a comprehensive, unified, and concise representation of the field * A collection of chapters written by over 40 recognized international experts from academia, government, and industry * A research agenda derived from the contribution of experts that guides scholars and researchers towards open questions Modeling and Simulation Support for System of Systems Engineering Applications is an ideal reference and resource for academics and practitioners in operations research, engineering, statistics, mathematics, modeling and simulation, and computer science. The book is also an excellent course book for graduate and PhD-level courses in modeling and simulation, engineering, and computer science.

Die Erstellung der ersten digitalen Zwillinge sollte intuitiv sein. In diesem Buch werden Zwillinge aus unterschiedlichen Bereichen vorgestellt, die ohne grosse Vorkenntnisse aufgebaut werden koennen. Dem Leser wird durch Praxisbeispiele ein Verstandnis fur die Handhabung von Simcenter Amesim vermittelt. Ohne tiefgreifende mathematische Fahigkeiten werden beispielsweise Luftungs- und Tankanlagen, Sonnenkollektoren oder ein einfacher Wagenheber nachgebaut. Jedes Rechenbeispiel schliesst mit Arbeitsvorschlagen, um den Umgang mit dem Zwilling zu schulen.

The objective of this publication is to comprehensively discuss the possibilities of producing steels with pre-determined attributes, demanded by the customer to fit exacting specifications. The information presented in the book has been designed to indicate the reasons for the expenses and to aid in the process of overcoming the difficulties and reducing the costs.

In nine detailed chapters, the authors cover topics including: steel as a major contributor to the economic wealth of a country in terms of its capabilities and production current concerns of major steel producers phenomena contributing to the quality of the product information concerning the boundary conditions of the rolling process and initial conditions, put to use by mathematical models the solid state incremental approach and flow formulation parameters and variables - most of which make use of the exponential nature of phenomena that are activated by thermal energy the application of three dimensional analysis to shape rolling the evaluation of parameters by a form of inverse analysis to the flat rolling process knowledge based modeling, using artificial intelligence, expert systems and neural networks

They conclude that when either mathematical or physical modeling of the rolling process is considered and the aim is to satisfy the demands for customers, it is possible to produce what the customer wants, exactly.
"

"Global Change Scenarios of the 21st Century" informs readers of conceivable environmental changes in the next hundred years. Integrated scenarios are used to communicate large amounts of information about different aspects of the global environmental system, together with society's role within this system. Uniquely, the scenarios are generated by an integrated computer model, IMAGE 2.1, which enhances consistency and provides a framework for linking environmental and social aspects of global change.
The book is divided into four parts, the volume begins by describing the model used to generate these scenarios, explaining its current features. This is followed by scenarios of changing climate, energy and food use, land cover, acidification, sea level and many other indicators of global change up to 2100. The long term consequences of actions to reduce greenhouse gas emissions are then explored in a section which uses the concepts of 'safe landing' and 'safe emission corridors' to address the connection between the long-term climate protection and short-term emission reductions. The final sections examines how the complicated and crucial issue of how complex global scenario information can be communicated to policy makers.

Process Modelling and simulation have proved to be extremely successful engineering tools for the design and optimisation of physical, chemical and biochemical processes. The use of simulation has expanded rapidly over the last two decades because of the availability of large high-speed computers and indeed has become even more widespread with the rise of the desk-top PC resources now available to nearly every engineer and student.
In the chemical industry large, realistic non-linear problems are routinely solved with the aid of computer simulation. This has a number of benefits, including easy assessment of the economic desirability of a project, convenient investigation of the effects of changes to system variables, and finally the introduction of mathematical rigour into the design process and inherent assumptions that may not have been there before.
'Computational Methods for Process Simulation' develops the methods needed for the simulation of real processes to be found in the process industries. It also stresses the engineering fundamentals used in developing process models. Steady state and dynamic systems are considered, for both spatially lumped and spatially distributed problems. It develops analytical and numerical computational techniques for algebraic, ordinary and partial differential equations, and makes use of computer software routines that are widely available. Dedicated software examples are available via the internet.
Written for a compulsory course element in the US
Includes examples using software used in academia and industry
Software available via the Internet