Molecular Modeling of the Sensitivities of Energetic Materials PDF Download
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Author: Didier Mathieu
Publisher: Elsevier
ISBN: 0128231106
Category : Science
Languages : en
Pages : 488
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Book Description
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
Author: Didier Mathieu
Publisher: Elsevier
ISBN: 0128231106
Category : Science
Languages : en
Pages : 488
Get Book Here
Book Description
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
Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1119356008
Category : Science
Languages : en
Pages : 392
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Book Description
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
Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 704
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Book Description
Author: Shiro Kubota
Publisher: Springer Nature
ISBN: 9811953074
Category : Science
Languages : en
Pages : 298
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Book Description
This book presents fundamental theory of shock and detonation waves as well as selected studies in detonation research in Japan, contributed by selected experts in safety research on explosives, development of industrial explosives, and application of explosives. It also reports detonation research in Japan featuring industrial explosives that include ammonium nitrate-based explosives and liquid explosives. Intended as a monographic-style book, it consistently uses technical terms and symbols and creates organic links between various detonation phenomena in application of explosives, fundamental theory of detonation waves, measurement methods, and individual studies. Among other features, the book presents a historical perspective of shock wave and detonation research in Japan, pedagogical materials for young researchers in detonation physics, and an introduction to works in Japan, including equations of state, which are worthy of attention but about which very little is known internationally. Further, the concise pedagogical chapters also characterize this book as a primer of detonation of condensed explosives and help readers start their own research.
Author:
Publisher:
ISBN:
Category : Power resources
Languages : en
Pages : 664
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Book Description
Author: John R. Sabin
Publisher: Academic Press
ISBN: 0128004509
Category : Science
Languages : en
Pages : 357
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Book Description
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
Author: Michael D. Furnish
Publisher: American Institute of Physics
ISBN: 9780735403413
Category : Science
Languages : en
Pages : 842
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Book Description
This book constitutes the Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, Baltimore, Maryland USA, 2005. The volume embodies the most recent research on shock compression of condensed matter and includes 363 plenary, invited, and contributed papers, all peer-reviewed. Topics include: equations of state, phase transitions, chemical reactions, warm dense matter, fracture, geophysics and planetary science, energetic materials, optical studies, and more.
Author: Nir Goldman
Publisher: Springer
ISBN: 3030056007
Category : Science
Languages : en
Pages : 297
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Book Description
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.
Author: S.C. Schmidt
Publisher: Elsevier
ISBN: 1483291456
Category : Science
Languages : en
Pages : 1103
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Book Description
The papers collected together in this volume constitute a review of recent research on the response of condensed matter to dynamic high pressures and temperatures. Inlcuded are sections on equations of state, phase transitions, material properties, explosive behavior, measurement techniques, and optical and laser studies. Recent developments in this area such as studies of impact and penetration phenomenology, the development of materials, especially ceramics and molecular dynamics and Monte Carlo simulations are also covered. These latest advances, in addition to the many other results and topics covered by the authors, serve to make this volume the most authoritative source for the shock wave physics community.
Author: Jan Awrejcewicz
Publisher: BoD – Books on Demand
ISBN: 9533076208
Category : Computers
Languages : en
Pages : 616
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Book Description
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.
