Molecular Modeling Of The Sensitivities Of Energetic Materials
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Molecular Modeling Of The Sensitivities Of Energetic Materials
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Author : Didier Mathieu
language : en
Publisher: Elsevier
Release Date : 2022-04-01
Molecular Modeling Of The Sensitivities Of Energetic Materials written by Didier Mathieu and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-04-01 with Science categories.
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
Materials Informatics Iii
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2025-03-01
Materials Informatics Iii written by Kunal Roy and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-03-01 with Science categories.
This contributed volume focuses on the application of machine learning and cheminformatics in predictive modeling for organic materials, polymers, solvents, and energetic materials. It provides an in-depth look at how machine learning is utilized to predict key properties of polymers, deep eutectic solvents, and ionic liquids, as well as to improve safety and performance in the study of energetic and reactive materials. With chapters covering polymer informatics, quantitative structure–property relationship (QSPR) modeling, and computational approaches, the book serves as a comprehensive resource for researchers applying predictive modeling techniques to advance materials science and improve material safety and performance.
Mechanochemical Processes In Energetic Materials
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Author : Adam A. L. Michalchuk
language : en
Publisher: Springer Nature
Release Date : 2020-11-23
Mechanochemical Processes In Energetic Materials written by Adam A. L. Michalchuk and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-23 with Science categories.
This book uses experimental and computational methods to rationalize and predict for the first time the relative impact sensitivities of a range of energetic materials. Using knowledge of crystal structures, vibrational properties, energy-transfer mechanisms, and experimentally measured sensitivities, it describes a model that leads to excellent correlation with experimental results in all cases. As such, the book paves the way for a new, fully ab initio approach for the design of safer energetic materials based solely on knowledge of their solid-state structures. Energetic materials (explosives, propellants, gas generators, and pyrotechnics) are defined as materials that release heat and/or gaseous products at a high rate upon stimulus by heat, impact, shock, sparks, etc. They have widespread military and civilian uses, including munitions, mining, quarrying, demolition, emergency signaling, automotive safety, and space exploration. One of their most important properties is sensitivity to accidental initiation during manufacture, transport, storage, and operation, which has important implications for their safe use.
Energetic Materials
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Author : Manoj K. Shukla
language : en
Publisher: Springer
Release Date : 2017-10-09
Energetic Materials written by Manoj K. Shukla and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-09 with Science categories.
This book offers a comprehensive account of energetic materials, including their synthesis, computational modeling, applications, associated degradation mechanisms, environmental consequences and fate and transport. This multi-author contributed volume describes how armed forces around the world are moving their attention from legacy explosive compounds, which are heat and shock sensitive (thus posing greater challenges in terms of handling and storage), to the insensitive munitions compounds/formulations such as insensitive munitions explosive (IMX) and the Picatinny Arsenal Explosive (PAX) series of compounds. The description of energetic materials focuses on explosives, pyrotechnic compositions, and propellants. The contributors go on to explain how modern generation energetic compounds must be insensitive to shock and heat but at the same time yield more energy upon explosion. Nanoinspired and/or co-crystallized energetic materials offer another route to generate next-generation energetic materials, and this authoritative book bridges a large gap in the literature by providing a comprehensive analysis of these compounds. Additionally, it includes a valuable overview of energetic materials, a detailed discussion of recent advances on future energetic compounds, nanotechnology in energetic materials, environmental contamination and toxicity, assessment of munitions lethality, the application quantitative structure–activity relationship (QSAR) in design of energetics and the fate and transport of munition compounds in the environment.
2017 2018 Assessment Of The Army Research Laboratory
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Author : National Academies of Sciences, Engineering, and Medicine
language : en
Publisher: National Academies Press
Release Date : 2019-08-15
2017 2018 Assessment Of The Army Research Laboratory written by National Academies of Sciences, Engineering, and Medicine and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-08-15 with Technology & Engineering categories.
The Army Research Laboratory (ARL) is the corporate laboratory for the U.S. army, which bridges scientific and military communities. The ARL is critical in maintaining the United States' dominant military power through its advanced research and analysis capabilities. The National Academies of Sciences, Engineering, and Medicine's Army Research Laboratory Technical Assessment Board (ARLTAB) conducts biennial assessments of the scientific and technical quality of the facilities. These assessments are necessary to ensure that the ARL's resources and quality of programs are maximized. 2017-2018 Assessment of the Army Research Laboratory includes findings and recommendations regarding the quality of the ARL's research, development, and analysis programs. The report of the assessment is subdivided by the ARL's Science and Technology campaigns, including Materials Research, Sciences for Lethality and Protection, Information Sciences, Computational Sciences, Sciences for Maneuver, Human Sciences, and Analysis and Assessment. This biennial report summarizes the findings for the 2017-2018 period.
Explosion Shock Wave And High Energy Reaction Phenomena Ii
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Author : Shigeru Itoh
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2013-07-31
Explosion Shock Wave And High Energy Reaction Phenomena Ii written by Shigeru Itoh and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-31 with Technology & Engineering categories.
Selected, peer reviewed papers from the International Symposium on Explosion, Shock Wave and High-Energy Reaction Phenomena 2013 (ESHP Symposium 2013), March 27-29, 2013, Nago, Okinawa, Japan
Energetic Compounds
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Author : Mohammad Hossein Keshavarz
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-05-05
Energetic Compounds written by Mohammad Hossein Keshavarz and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-05-05 with Technology & Engineering categories.
This book discusses methods for the assessment of energetic compounds through heat of detonation, detonation pressure, velocity and temperature, Gurney energy and power. The authors focus on the detonation pressure and detonation velocity of non-ideal aluminized energetic compounds. This 2nd Edition includes an updated and improved presentation of simple, reliable methods for the design, synthesis and development of novel energetic compounds.
Molecular Modeling And Simulation
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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18
Molecular Modeling And Simulation written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-18 with Science categories.
Science is a way of looking, reverencing. And the purpose of all science, like living, which amounts to the same thing, is not the ac cumulation of gnostic power, the fixing of formulas for the name of God, the stockpiling of brutal efficiency, accomplishing the sadistic myth of progress. The purpose of science is to revive and cultivate a perpetual state of wonder. For nothing deserves wonder so much as our capacity to experience it. Roald Hoffman and Shira Leibowitz Schmidt, in Old Wine, New Flasks: Re. flections on Science and Jewish Tradition (W. H. Freeman, 1997). Challenges in Teaching Molecular Modeling This textbook evolved from a graduate course termed Molecular Modeling intro duced in the fall of 1996 at New York University. The primary goal of the course is to stimulate excitement for molecular modeling research - much in the spirit of Hoffman and Leibowitz Schmidt above - while providing grounding in the discipline. Such knowledge is valuable for research dealing with many practical problems in both the acadernic and industrial sectors, from developing treatments for AIDS (via inhibitors to the protease enzyme of the human imrnunodeficiency virus, HIV-1) to designing potatoes that yie1d spot-free potato chips (via trans genic potatoes with altered carbohydrate metabolism). In the course of writing xii Preface this text, the notes have expanded to function also as an introduction to the field for scientists in other disciplines by providing a global perspective into problems and approaches, rather than a comprehensive survey.
Chemistry Of Energetic Materials
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Author : George A. Olah
language : en
Publisher: Academic Press
Release Date : 2012-12-02
Chemistry Of Energetic Materials written by George A. Olah and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
The study of energetic materials is emerging from one primarily directed toward practical interests to an advanced area of fundamental research, where state-of-the-art methods and theory are used side by side with modern synthetic methods. This timely book integrates the recent experimental, synthetic, and theoretical research of energetic materials. Editors George Olah and David Squire emphasize the importance of structure and mechanism in determining properties and performances. They also explore new spectrometric methods and synthetic approaches in this useful reference. - Discusses structural analysis by x-ray crystallography - Explains chemical dynamics by photofragmentation translational spectroscopy - Covers kinetic analysis by ultrafast absorption and emission spectroscopy - Details syntheses of polycyclic caged amines, fuel additives, and polynitro compounds - Examines computer-aided design of monopropellants - Includes contributions by two Nobel laureates and five members of the National Academy of Sciences
The Engineering Index Annual
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Author :
language : en
Publisher:
Release Date : 1993
The Engineering Index Annual written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Engineering categories.
Since its creation in 1884, Engineering Index has covered virtually every major engineering innovation from around the world. It serves as the historical record of virtually every major engineering innovation of the 20th century. Recent content is a vital resource for current awareness, new production information, technological forecasting and competitive intelligence. The world?s most comprehensive interdisciplinary engineering database, Engineering Index contains over 10.7 million records. Each year, over 500,000 new abstracts are added from over 5,000 scholarly journals, trade magazines, and conference proceedings. Coverage spans over 175 engineering disciplines from over 80 countries. Updated weekly.