Download or read book Amber 2021 written by David A. Case and published by University of California, San Francisco. This book was released on 2021-06-13 with total page 959 pages. Available in PDF, EPUB and Kindle. Book excerpt: Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a powerful framework for many common calculations. The term Amber is also used to refer to the empirical force fields that are implemented here. It should be recognized, however, that the code and force field are separate: several other computer packages have implemented the Amber force fields, and other force fields can be implemented with the Amber programs. Further, the force fields are in the public domain, whereas the codes are distributed under a license agreement. The Amber software suite is divided into two parts: AmberTools21, a collection of freely available programs mostly under the GPL license, and Amber20, which is centered around the pmemd simulation program, and which continues to be licensed as before, under a more restrictive license. Amber20 represents a significant change from the most recent previous version, Amber18. (We have moved to numbering Amber releases by the last two digits of the calendar year, so there are no odd-numbered versions.) Please see https://ambermd.org for an overview of the most important changes. AmberTools is a set of programs for biomolecular simulation and analysis. They are designed to work well with each other, and with the “regular” Amber suite of programs. You can perform many simulation tasks with AmberTools, and you can do more extensive simulations with the combination of AmberTools and Amber itself. Most components of AmberTools are released under the GNU General Public License (GPL). A few components are in the public domain or have other open-source licenses. See the README file for more information.
Download or read book Unsteady Computational Fluid Dynamics in Aeronautics written by P.G. Tucker and published by Springer Science & Business Media. This book was released on 2013-08-30 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of Large Eddy Simulation (LES) and hybrids is a vibrant research area. This book runs through all the potential unsteady modelling fidelity ranges, from low-order to LES. The latter is probably the highest fidelity for practical aerospace systems modelling. Cutting edge new frontiers are defined. One example of a pressing environmental concern is noise. For the accurate prediction of this, unsteady modelling is needed. Hence computational aeroacoustics is explored. It is also emerging that there is a critical need for coupled simulations. Hence, this area is also considered and the tensions of utilizing such simulations with the already expensive LES. This work has relevance to the general field of CFD and LES and to a wide variety of non-aerospace aerodynamic systems (e.g. cars, submarines, ships, electronics, buildings). Topics treated include unsteady flow techniques; LES and hybrids; general numerical methods; computational aeroacoustics; computational aeroelasticity; coupled simulations and turbulence and its modelling (LES, RANS, transition, VLES, URANS). The volume concludes by pointing forward to future horizons and in particular the industrial use of LES. The writing style is accessible and useful to both academics and industrial practitioners. From the reviews: "Tucker's volume provides a very welcome, concise discussion of current capabilities for simulating and modellng unsteady aerodynamic flows. It covers the various pos sible numerical techniques in good, clear detail and presents a very wide range of practical applications; beautifully illustrated in many cases. This book thus provides a valuable text for practicing engineers, a rich source of background information for students and those new to this area of Research & Development, and an excellent state-of-the-art review for others. A great achievement." Mark Savill FHEA, FRAeS, C.Eng, Professor of Computational Aerodynamics Design & Head of Power & Propulsion Sciences, Department of Power & Propulsion, School of Engineering, Cranfield University, Bedfordshire, U.K. "This is a very useful book with a wide coverage of many aspects in unsteady aerodynamics method development and applications for internal and external flows." L. He, Rolls-Royce/RAEng Chair of Computational Aerothermal Engineering, Oxford University, U.K. "This comprehensive book ranges from classical concepts in both numerical methods and turbulence modelling approaches for the beginner to latest state-of-the-art for the advanced practitioner and constitutes an extremely valuable contribution to the specific Computational Fluid Dynamics literature in Aeronautics. Student and expert alike will benefit greatly by reading it from cover to cover." Sébastien Deck, Onera, Meudon, France
Download or read book Fundamental Controls on Fluid Flow in Carbonates written by S.M. Agar and published by Geological Society of London. This book was released on 2015-02-02 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume highlights key challenges for fluid-flow prediction in carbonate reservoirs, the approaches currently employed to address these challenges and developments in fundamental science and technology. The papers span methods and case studies that highlight workflows and emerging technologies in the fields of geology, geophysics, petrophysics, reservoir modelling and computer science. Topics include: detailed pore-scale studies that explore fundamental processes and applications of imaging and flow modelling at the pore scale; case studies of diagenetic processes with complementary perspectives from reactive transport modelling; novel methods for rock typing; petrophysical studies that investigate the impact of diagenesis and fault-rock properties on acoustic signatures; mechanical modelling and seismic imaging of faults in carbonate rocks; modelling geological influences on seismic anisotropy; novel approaches to geological modelling; methods to represent key geological details in reservoir simulations and advances in computer visualization, analytics and interactions for geoscience and engineering.
Download or read book Computational Fluid and Solid Mechanics 2003 written by K.J Bathe and published by Elsevier. This book was released on 2003-06-02 with total page 2485 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bringing together the world's leading researchers and practitioners of computational mechanics, these new volumes meet and build on the eight key challenges for research and development in computational mechanics.Researchers have recently identified eight critical research tasks facing the field of computational mechanics. These tasks have come about because it appears possible to reach a new level of mathematical modelling and numerical solution that will lead to a much deeper understanding of nature and to great improvements in engineering design.The eight tasks are: - The automatic solution of mathematical models - Effective numerical schemes for fluid flows - The development of an effective mesh-free numerical solution method - The development of numerical procedures for multiphysics problems - The development of numerical procedures for multiscale problems - The modelling of uncertainties - The analysis of complete life cycles of systems - Education - teaching sound engineering and scientific judgement Readers of Computational Fluid and Solid Mechanics 2003 will be able to apply the combined experience of many of the world's leading researchers to their own research needs. Those in academic environments will gain a better insight into the needs and constraints of the industries they are involved with; those in industry will gain a competitive advantage by gaining insight into the cutting edge research being carried out by colleagues in academia. Features - Bridges the gap between academic researchers and practitioners in industry - Outlines the eight main challenges facing Research and Design in Computational mechanics and offers new insights into the shifting the research agenda - Provides a vision of how strong, basic and exciting education at university can be harmonized with life-long learning to obtain maximum value from the new powerful tools of analysis
Download or read book Seventh Copper Mountain Conference on Multigrid Methods written by and published by . This book was released on 1996 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Finite Volume Method written by Radostina Petrova and published by BoD – Books on Demand. This book was released on 2012-03-28 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: We hope that among these chapters you will find a topic which will raise your interest and engage you to further investigate a problem and build on the presented work. This book could serve either as a textbook or as a practical guide. It includes a wide variety of concepts in FVM, result of the efforts of scientists from all over the world. However, just to help you, all book chapters are systemized in three general groups: New techniques and algorithms in FVM; Solution of particular problems through FVM and Application of FVM in medicine and engineering. This book is for everyone who wants to grow, to improve and to investigate.
Download or read book Computational Modeling for Fluid Flow and Interfacial Transport written by Wei Shyy and published by Courier Corporation. This book was released on 2014-06-10 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical applications and examples highlight this treatment of computational modeling for handling complex flowfields. A reference for researchers and graduate students of many different backgrounds, it also functions as a text for learning essential computation elements. Drawing upon his own research, the author addresses both macroscopic and microscopic features. He begins his three-part treatment with a survey of the basic concepts of finite difference schemes for solving parabolic, elliptic, and hyperbolic partial differential equations. The second part concerns issues related to computational modeling for fluid flow and transport phenomena. In addition to a focus on pressure-based methods, this section also discusses practical engineering applications. The third and final part explores the transport processes involving interfacial dynamics, particularly those influenced by phase change, gravity, and capillarity. Case studies, employing previously discussed methods, demonstrate the interplay between the fluid and thermal transport at macroscopic scales and their interaction with the interfacial transport.
Download or read book Single Chain Polymer Nanoparticles written by José A. Pomposo and published by John Wiley & Sons. This book was released on 2017-08-18 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first book on this important and emerging topic presents an overview of the very latest results obtained in single-chain polymer nanoparticles obtained by folding synthetic single polymer chains, painting a complete picture from synthesis via characterization to everyday applications. The initial chapters describe the synthetics methods as well as the molecular simulation of these nanoparticles, while subsequent chapters discuss the analytical techniques that are applied to characterize them, including size and structural characterization as well as scattering techniques. The final chapters are then devoted to the practical applications in nanomedicine, sensing, catalysis and several other uses, concluding with a look at the future for such nanoparticles. Essential reading for polymer and materials scientists, materials engineers, biochemists as well as environmental chemists.
Download or read book High Performance Polymers and Engineering Plastics written by Vikas Mittal and published by John Wiley & Sons. This book was released on 2011-09-09 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes advances in synthesis, processing, and technology of environmentally friendly polymers generated from renewable resources. With contents based on a wide range of functional monomers and contributions from eminent researchers, this volume demonstrates the design, synthesis, properties and applications of plant oil based polymers, presenting an elaborate review of acid mediated polymerization techniques for the generation of green polymers. Chemical engineers are provided with state-of-the-art information that acts to further progress research in this direction.
Download or read book Handbook of Industrial Water Soluble Polymers written by Peter A. Williams and published by John Wiley & Sons. This book was released on 2008-04-15 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Natural and synthetic water soluble polymers are used in a wide range of familiar industrial and consumer products, including coatings and inks, papers, adhesives, cosmetics and personal care products. They perform a variety of functions without which these products would be significantly more expensive, less effective or both. Written for research, development and formulation chemists, technologists and engineers at graduate level and beyond in the fine and specialty chemicals, polymers, food and pharmaceutical industries, the Handbook of Industrial Water Soluble Polymers deals specifically with the functional properties of both natural and synthetic water soluble polymers. By taking a function based approach, rather than a “polymer specific” approach the book illustrates how polymer structure leads to effect, and shows how different polymer types can be employed to achieve appropriate product properties.
Download or read book MEMS Materials and Processes Handbook written by Reza Ghodssi and published by Springer Science & Business Media. This book was released on 2011-03-18 with total page 1211 pages. Available in PDF, EPUB and Kindle. Book excerpt: MEMs Materials and Processes Handbook" is a comprehensive reference for researchers searching for new materials, properties of known materials, or specific processes available for MEMS fabrication. The content is separated into distinct sections on "Materials" and "Processes". The extensive Material Selection Guide" and a "Material Database" guides the reader through the selection of appropriate materials for the required task at hand. The "Processes" section of the book is organized as a catalog of various microfabrication processes, each with a brief introduction to the technology, as well as examples of common uses in MEMs.
Download or read book Quieting the Boom written by Lawrence R. Benson and published by . This book was released on 2013 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Food Bioactives written by Munish Puri and published by Springer. This book was released on 2017-04-07 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on various types of bioactive compounds, including secondary metabolites, oligosaccharides, polysaccharides, flavonoids, peptides/proteins, carotenoid pigments, quinones, terpenes, and polyunsaturated fatty acids, and presents an overview of their nutraceutical activities. It covers the current status and future potential of food compounds, as well as extraction technologies for bioactives derived from plant, fungi and marine-derived bioactive agents. Finally, health-promoting effects of plant, fungi and marine-derived bioactive agents are discussed. Chapters come from top researchers in this area from around the globe. The volume caters to the needs of undergraduate and post-graduate students in the area of food biotechnology, food bioprocessing, biotechnology, food engineering, etc., and also contains information pertinent to researchers.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1991 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Free Energy Calculations written by Christophe Chipot and published by Springer Science & Business Media. This book was released on 2007-01-08 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Download or read book Handbook of Benzoxazine Resins written by Hatsuo Ishida and published by Elsevier. This book was released on 2011-07-13 with total page 709 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides a wide overview of the field, fundamental understanding of the synthetic methods and structure/property correlation, as well as studies related to applications in a wide range of subjects. The handbook also provides 1H and 13C NMR spectra, FTIR spectra, DSC and TGA thermograms to aid in research activities. Additional tables on key NMR and FTIR frequencies unique to benzoxazine, heat of polymerization, Tg, and char yield will greatly aid in the choice of proper benzoxazine for a specific application. - Provides thorough coverage of the chemistry and applications of benzoxazine resins with an evidence-based approach to enable chemists, engineers and material scientists to evaluate effectiveness - Features spectra, which allow researchers to compare results, avoid repetition and save time as well as tables on key NMR frequency, IR frequency, heat of polymerization, of many benzoxazine resins to aid them in selection of materials - Written by the foremost experts in the field
Download or read book Seamless Prediction of the Earth System written by Gilbert Brunet and published by . This book was released on 2015 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This book collects together White Papers that have been written to describe the state of the science and to discuss the major challenges for making further advances. The authors of each chapter have attempted to draw together key aspects of the science that was presented at WWOSC-2014. The overarching theme of this book and of WWOSC-2014 is 'Seamless Prediction of the Earth System: from minutes to months'. The book is structured with chapters that address topics regarding: Observations and Data Assimilation; Predictability and Processes; Numerical Prediction of the Earth System; Weather-related Hazards and Impacts. This book marks a point in time and the knowledge that has been accumulating on weather science. It aims to point the way to future developments"--Preface.
