Download or read book A Method for Tractable Dynamical Studies of Single and Double Shock Compression written by E. J. Reed and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: A new multi-scale simulation method is formulated for the study of shocked materials. The method combines molecular dynamics and the Euler equations for compressible flow. Treatment of the difficult problem of the spontaneous formation of multiple shock waves due to material instabilities is enabled with this approach. The method allows the molecular dynamics simulation of the system under dynamical shock conditions for orders of magnitude longer time periods than is possible using the popular non-equilibrium molecular dynamics (NEMD) approach. An example calculation is given for a model potential for silicon in which a computational speedup of 10{sup 5} is demonstrated. Results of these simulations are consistent with the recent experimental observation of an anomalously large elastic precursor on the nanosecond timescale.
Download or read book Static Compression of Energetic Materials written by Suhithi M. Peiris and published by Springer Science & Business Media. This book was released on 2009-01-03 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developing and testing novel energetic materials is an expanding branch of the materials sciences. Reaction, detonation or explosion of such materials invariably produce extremely high pressures and temperatures. To study the equations-of-state (EOS) of energetic materials in extreme regimes both shock and static high pressure studies are required. The present volume is an introduction and review of theoretical, experimental and numerical aspects of static compression of such materials. Chapter 1 introduces the basic experimental tool, the diamond anvil pressure cell and the observational techniques used with it such as optical microscopy, infrared spectrometry and x-ray diffraction. Chapter 2 outlines the principles of high-nitrogen energetic materials synthesis. Chapters 3 and 4, examine and compare various EOS formalisms and data fitting for crystalline and non-crystalline materials, respectively. Chapter 5 details the reaction kinetics of detonating energetic materials. Chapter 6 investigates the interplay between static and dynamic (shock) studies. Finally, Chapters 7 and 8 introduce numerical simulations: molecular dynamics of energetic materials under either hydrostatic or uni-axial stress and ab-inito treatments of defects in crystalline materials. This timely volume meets the growing demand for a state-of-the art introduction and review of the most relevant aspects of static compression of energetic materials and will be a valuable reference to researchers and scientists working in academic, industrial and governmental research laboratories.
Download or read book Numerical Simulations of Physical and Engineering Processes written by Jan Awrejcewicz and published by BoD – Books on Demand. This book was released on 2011-09-26 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Numerical Simulations of Physical and Engineering Process is an edited book divided into two parts. Part I devoted to Physical Processes contains 14 chapters, whereas Part II titled Engineering Processes has 13 contributions. The book handles the recent research devoted to numerical simulations of physical and engineering systems. It can be treated as a bridge linking various numerical approaches of two closely inter-related branches of science, i.e. physics and engineering. Since the numerical simulations play a key role in both theoretical and application oriented research, professional reference books are highly needed by pure research scientists, applied mathematicians, engineers as well post-graduate students. In other words, it is expected that the book will serve as an effective tool in training the mentioned groups of researchers and beyond.
Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2017-03-07 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise
Download or read book Shock Compression of Condensed Matter 2003 written by Michael D. Furnish and published by . This book was released on 2004 with total page 836 pages. Available in PDF, EPUB and Kindle. Book excerpt: Two volumes contain 350 papers presented at the 13th Biennial International Conference of the APS Topical Group on Shock Compression of Condensed Matter (Portland, Oregon, July 2003). One of the three plenary lectures was given by James Asay (Institute for Shock Physics, Washington State U., Pullman, Washington) on wave structure studies in condensed matter physics. The papers in v.1 address nonenergetic materials; energetic materials; phase transitions; the modeling, simulation, theory, and molecular dynamics modeling of nonreactive and reactive materials; spall, fracture, and fragmentation; constitutive and microstructural properties of metals; mechanical properties of polymers and composites; and mechanical properties of ceramics, glasses, ionic solids, and liquids. The largest number of papers in v.2 are under the headings mechanical properties of reactive materials; detonation and burn phenomena; explosive and initiation studies; experimental techniques; and geophysics, structures, and medical applications. The contributors represent 14 countries, where they work in state and private industry and academic settings. Indexed by both author and subject. Annotation :2004 Book News, Inc., Portland, OR (booknews.com).
Download or read book Molecular Modeling of the Sensitivities of Energetic Materials written by Didier Mathieu and published by Elsevier. This book was released on 2022-04-01 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molecular structure and crystal structure, discusses insights from numerical simulations, and highlights applications of these approaches to the design of new materials. Providing practical guidelines for implementing predictive models and their application to the search for new compounds, this book is an authoritative guide to an exciting field of research that warrants a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity and leading to a lot of experimental data in this area. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. - Highlights a range of approaches for computational simulation and the importance of combining them to accurately understand or estimate different parameters - Provides an overview of experimental findings and knowledge in a quick and accessible format - Presents guidelines to implement sensitivity models using open-source python-related software, thus supporting easy implementation of flexible models and allowing fast assessment of hypotheses
Download or read book Reviews in Computational Chemistry Volume 25 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2007-11-02 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: VOLUME 25 Reviews in Computational Chemistry Kenny B. Lipkowitz and Thomas R. Cundari This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In Chemistry. From Reviews of the Series "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book Polyurea written by Pooria Pasbakhsh and published by Elsevier. This book was released on 2023-07-22 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyurea: Synthesis, Properties, Composites, Production, and Applications is a comprehensive and practical guide to polyurea, a material used for its exceptional properties and performance in a range of high value industrial applications. Sections cover polyurea formulations and properties, comparing aromatic polyurea with aliphatic polyurea and computation modeling of properties for polyurea and polyurea composites. This is followed by in-depth coverage of synthesis, structure and production methods of polyurea, with the connections between production, performance and properties examined thoroughly. Other sections explain the preparation, characterization, modeling and applications of polyurea and polyurea composites with the required properties for specific advanced applications. Finally, environmental issues, recycling and future potential of polyurea are considered. This is a valuable resource for researchers and advanced students in polymer science, chemistry, composite science, civil engineering, materials science and mechanical engineering, as well as R&D professionals, engineers and industrial scientists with an interest in polyurea-based materials for advanced applications. - Provides the fundamentals of polyurea, including synthesis, structure, formulations and properties - Explains conventional and novel production methods for polyurea and polyurea composites, analyzing their advantages and limitations - Guides the reader to advanced industrial applications across areas such as construction, defense, engineering and biomedicine
Download or read book Quantum Geochemistry written by Giulio Armando Ottonello and published by Springer Nature. This book was released on with total page 1130 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Approaches for Chemistry Under Extreme Conditions written by Nir Goldman and published by Springer. This book was released on 2019-02-18 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Download or read book Computational Quantum Physics and Chemistry of Nanomaterials written by Mojmír Šob and published by MDPI. This book was released on 2021-04-01 with total page 198 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field
Download or read book Energetic Materials written by John R. Sabin and published by Academic Press. This book was released on 2014-02-10 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field
Download or read book Classic Papers in Shock Compression Science written by James N. Johnson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of shock compression science has a long and rich history involving contributions of mathematicians, physicists and engineers over approximately two hundred years. The middle of the nineteenth century was an especially ac tive period with the contributions of Riemann, Rankine and Hugoniot, among others. The middle of the twentieth century saw another increase in activity re lated to shock compression of condensed matter as a result of military applica tions. It was also recognized that shock compression provided a means of sub jecting solids and liquids to extreme states of temperature and pressure difficult to achieve by static means. It has thus become an academic study in its own right. The principal modem contributions to this science were summarized in the landmark paper by Rice, McQueen and Walsh [Solid State Physics, Vol. 6, pp. 1-63, 1958]. As this field has continued to mature, interest has increased in tracing the early papers that have served as the foundations of the field. Cheret [Shock Compression of Condensed Matter - 1989, Elsevier Sci. Pub. B. V. , pp 11-19, 1990) has contributed to this literature with his review of the life of Hugoniot on the one-hundredth anniversary of the publication of Hugoniot's classic paper on the propagation of discontinuous waves in gases. This contribution prompted additional historical investigation involving the precursors to Hugoniot.
Download or read book High Pressure Shock Compression of Solids III written by Lee Davison and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developments in experimental methods are providing an increasingly detailed understanding of shock compression phenomena on the bulk, intermediate, and molecular scales. This third volume in a series of reviews of the curent state of knowledge covers several diverse areas. The first group of chapters addresses fundamental physical and chemical aspects of the response of condensed matter to shock comression: equations of state, molecular-dynamic analysis, deformation of materials, spectroscopic methods. Two further chapters focus on a particular group of materials: ceramics. Another chapter discusses shock-induced reaction of condensed-phase explosives. And a final pair of chapters considers shock phenomena at low stresses from the point of view of continuum mechanics.
Download or read book Shock Wave Compression of Condensed Matter written by Jerry W Forbes and published by Springer Science & Business Media. This book was released on 2013-02-01 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces the core concepts of the shock wave physics of condensed matter, taking a continuum mechanics approach to examine liquids and isotropic solids. The text primarily focuses on one-dimensional uniaxial compression in order to show the key features of condensed matter’s response to shock wave loading. The first four chapters are specifically designed to quickly familiarize physical scientists and engineers with how shock waves interact with other shock waves or material boundaries, as well as to allow readers to better understand shock wave literature, use basic data analysis techniques, and design simple 1-D shock wave experiments. This is achieved by first presenting the steady one-dimensional strain conservation laws using shock wave impedance matching, which insures conservation of mass, momentum and energy. Here, the initial emphasis is on the meaning of shock wave and mass velocities in a laboratory coordinate system. An overview of basic experimental techniques for measuring pressure, shock velocity, mass velocity, compression and internal energy of steady 1-D shock waves is then presented. In the second part of the book, more advanced topics are progressively introduced: thermodynamic surfaces are used to describe equilibrium flow behavior, first-order Maxwell solid models are used to describe time-dependent flow behavior, descriptions of detonation shock waves in ideal and non-ideal explosives are provided, and lastly, a select group of current issues in shock wave physics are discussed in the final chapter.
Download or read book High Pressure Shock Compression of Solids written by J.R. Asay and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a set of basic understandings of the behavior and response of solids to propagating shock waves. The propagation of shock waves in a solid body is accompanied by large compressions, decompression, and shear. Thus, the shear strength of solids and any inelastic response due to shock wave propagation is of the utmost importance. Furthermore, shock compres sion of solids is always accompanied by heating, and the rise of local tempera ture which may be due to both compression and dissipation. For many solids, under a certain range of impact pressures, a two-wave structure arises such that the first wave, called the elastic prescursor, travels with the speed of sound; and the second wave, called a plastic shock wave, travels at a slower speed. Shock-wave loading of solids is normally accomplished by either projectile impact, such as produced by guns or by explosives. The shock heating and compression of solids covers a wide range of temperatures and densities. For example, the temperature may be as high as a few electron volts (1 eV = 11,500 K) for very strong shocks and the densification may be as high as four times the normal density.
Download or read book High Pressure Shock Compression of Solids VII written by Vladimir E. Fortov and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting some of the most recent results of Russian research into shock compression, as well as historical overviews of the Russian research programs into shock compression, this volume will provide Western researchers with many novel ideas and points of view. The chapters in this volume are written by leading Russian specialists various fields of high-pressure physics and form accounts of the main researches on the behavior of matter under shock-wave interaction. The experimental portions contain results of studies of shock compression of metals to high and ultra-high pressure, shock initiation of polymorphic transformations, strength, fracture and fragmentation under shock compression, and detonation of condensed explosives. There are also chapters on theoretical investigations of shock-wave compression and plasma states in regimes of high-pressure and high- temperature. The topics of the book are of interest to scientists and engineers concerned with questions of material behavior under impulsive loading and to the equation of state of matter. Application is to questions of high-speed impact, inner composition of planets, verification of model representations of material behavior under extreme 1oading conditions, syntheses of new materials, development of new technologies for material processing, etc. Russian research differs from much of the Western work in that it has traditionally been wider-ranging and more directed to extremes of response than to precise characterization of specific materials and effects. Western scientists could expect to benefit from the perspective gained from close knowledge of the Russian work.
