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 Energetic Materials written by and published by Elsevier Science. This book was released on 2003-11-25 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on decomposition, crystal and molecular properties. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. Since chemical decomposition is of fundamental importance in energetic performance, this volume begins with a survey of the decomposition processes of a variety of energetic compounds. This is followed by detailed studies of certain compounds and specific mechanisms, such as nitro/aci-nitro tautomerism. Chapter 6 covers the transition from decomposition to crystal properties, with molecular dynamics being the primary analytical tool. The next several chapters deal with different aspects of the crystalline state, again moving from the general to particular. There is also a discussion of methods for computing gas, liquid and solid phase heats of formation. Finally, the last portion of this volume looks at the potential of high-nitrogen molecules as energetic systems; this has been of considerable interest in recent years. Overall, this volume illustrates the progress that has been made in the field of energetic materials and some of the areas of current activity. It also indicates the challenges involved in characterizing and understanding the properties and behaviour of these compounds. The work is a unique state-of-the-art treatment of the subject, written by pre-eminent researchers in the field.
Download or read book Overviews Of Recent Research On Energetic Materials written by Donald L Thompson and published by World Scientific. This book was released on 2005-08-02 with total page 531 pages. Available in PDF, EPUB and Kindle. Book excerpt: Few books cover experimental and theoretical methods to characterize decomposition, combustion and detonation of energetic materials. This volume, by internationally known and major contributors to the field, is unique because it summarizes the most important recent work, what we know with confidence, and what main areas remain to be investigated. Most chapters comprise summaries of work spanning decades and contain expert commentary available nowhere else. Although energetic materials are its focus, this book provides a guide to modern methods for investigations of condensed and gas-phase reactions. Although these energetic reactions are complex and difficult to study, the work discussed here provides readers with a substantial understanding of the behavior of materials now in use, and a predictive capability for the development of new materials based on target properties.
Download or read book Chemistry and Physics of Energetic Materials written by S.N. Bulusu and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 756 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book represents a collection of lectures presented at the NATO Advanced study Institute(ASI) on "Chemistry & Physics of the Molecular Processes in Energetic Materials", held at Hotel Torre Normanna, Altavilla Milicia, Sicily, Italy, September 3 to 15, 1989. The institute was attended by seventy participants including twenty lecturers, drawn from thirteen countries. The purpose of the institute was to review the major ad vances made in recent years in the theoretical and experi mental aspects of explosives and propellants. In accordance with the format of the NATO ASI, it was arranged to have a relatively small number of speakers to present in depth, re view type lectures emphasizing the basic research aspects of the subject, over a two week period. Most of the speakers gave two lectures, each in excess of one hour with addition al time for discussions. The scope of the meeting was limit ed to molecular and spectroscopic studies since the hydro dynamic aspects of detonation and various performance crite ria of energetic materials are often covered adequately in other international meetings. An attempt was made to have a coherent presentation of various theoretical, computational and spectroscopic approaches to help a better understanding of energetic materials from a molecular point of view. The progress already made in these areas is such that structure property (e. g.
Download or read book The Properties of Energetic Materials written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-10-25 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: For a chemist who is concerned with the synthesis of new energetic compounds, it is essential to be able to assess physical and thermodynamic properties, as well as the sensitivity, of possible new energetic compounds before synthesis is attempted. Various approaches have been developed to predict important aspects of the physical and thermodynamic properties of energetic materials including (but not limited to): crystal density, heat of formation, melting point, enthalpy of fusion and enthalpy of sublimation of an organic energetic compound. Since an organic energetic material consists of metastable molecules capable of undergoing very rapid and highly exothermic reactions, many methods have been developed to estimate the sensitivity of an energetic compound with respect to detonationcausing external stimuli such as heat, friction, impact, shock and electrostatic discharge. This book introduces these methods and demonstrates those methods which can be easily applied.
Download or read book Nano and Micro Scale Energetic Materials written by Weiqiang Pang and published by John Wiley & Sons. This book was released on 2023-01-26 with total page 1005 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides an up-to-date account of innovative energetic materials and their potential applications in space propulsion and high explosives Most explosives and propellants currently use a small number of ingredients, such as TNT and nitrocellulose. In comparison to conventional materials, nano- and micro-scale energetic materials exhibit superior burning characteristics and much higher energy densities and explosive yields. Nano and Micro-scale Energetic Materials: Propellants and Explosives provides a timely overview of innovative nano-scale energetic materials (nEMs) and microscale energetic materials (μEMs) technology. Covering nEMs and μEMs ingredients as well as formulations, this comprehensive volume examines the preparation, characterization, ignition, combustion, and performance of energetic materials in various applications of propellants and explosives. Twenty-two chapters explore metal-based pyrotechnic nanocomposites, solid and hybrid rocket propulsion, solid fuels for in-space and power, the sensitivity and mechanical properties of explosives, new energetic materials, and more. Explores novel energetic materials and their potential for use in propellants and explosives Summarizes the most recent advances of leading research groups currently active in twelve countries Discusses how new environmentally friendly, high-combustion energetic materials can best be used in different applications Explains the fundamentals of energetic materials, including similarities and differences between composite propellants and explosives Nano and Micro-scale Energetic Materials: Propellants and Explosives is an important resource for materials scientists, explosives specialists, pyrotechnicians, environmental chemists, polymer chemists, physical chemists, aerospace physicians, and aerospace engineers working in both academia and industry.
Download or read book High Energy Density Materials written by Thomas M. Klapötke and published by Springer. This book was released on 2007-06-12 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Green Energetic Materials written by Tore Brinck and published by John Wiley & Sons. This book was released on 2014-01-15 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book presents a detailed account of research and recent developments in the field of green energetic materials, including pyrotechnics, explosives and propellants. This area is attracting increasing interest in the community as it undergoes a transition from using traditional processes, to more environmentally-friendly procedures. The book covers the entire line of research from the initial theoretical modelling and design of new materials, to the development of sustainable manufacturing processes. It also addresses materials that have already reached the production line, as well as considering future developments in this evolving field.
Download or read book Advanced Energetic Materials written by National Research Council and published by National Academies Press. This book was released on 2004-01-30 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced energetic materialsâ€"explosive fill and propellantsâ€"are a critical technology for national security. While several new promising concepts and formulations have emerged in recent years, the Department of Defense is concerned about the nation's ability to maintain and improve the knowledge base in this area. To assist in addressing these concerns, two offices within DOD asked the NRC to investigate and assess the scope and health of the U.S. R&D efforts in energetic materials. This report provides that assessment. It presents several findings about the current R&D effort and recommendations aimed at improving U.S. capabilities in developing new energetic materials technology. This study reviewed U.S. research and development in advanced energetics being conducted by DoD, the DoE national laboratories, industries, and academia, from a list provided by the sponsors. It also: (a) reviewed papers and technology assessments of non-U.S. work in advanced energetics, assessed important parameters, such as validity, viability, and the likelihood that each of these materials can be produced in quantity; (b) identified barriers to scale-up and production, and suggested technical approaches for addressing potential problems; and (c) suggested specific opportunities, strategies, and priorities for government sponsorship of technologies and manufacturing process development.
Download or read book Intrinsic Structures and Properties of Energetic Materials written by Chaoyang Zhang and published by Springer Nature. This book was released on 2023-06-30 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights the intrinsic structures of all kinds of energetic compounds and some structure–property relationships therein. Energetic materials are a class of energy materials that can transiently release a large amount of gases and heat by self-redox after stimulated and usually refer to explosives, propellants and pyrotechnics. Nowadays, in combination with various theories and simulation-aided material design technologies, many new kinds of energetic materials like energetic extended solids, energetic ionic salts, energetic metal organic frames, energetic co-crystals and energetic perovskites have been created, in addition to traditional energetic molecular crystals. It is somewhat dazzling, and an issue of how we can understand these new types of energetic materials is raised. In the past about 20 years, we were immersed in the computational energetic materials. By means of defining a concept of intrinsic structures of energetic materials, which refers to the crystal packing structure of energetic materials, as well as molecule for molecular solid specially, the microscopic structures have been mostly clarified, and related with many macroscopic properties and performances, with molecular simulations. This book presents our understanding about it. Thereby, a simply and new way to readily understand energetic materials is expected to be paved, based on this book. It contains energetic molecular crystals, energetic ionic crystals, energetic atomic crystals, energetic metallic crystals and energetic mixed-type crystals and the substructures closest to crystal packing. Meanwhile, the common intermolecular interactions in energetic crystals will be introduced. In addition, theoretical and simulation methods for treating the intrinsic structures will be briefed, as they are the main tools to reveal the molecules and crystals. Besides, the polymorphism as a level of intrinsic structures will be briefly discussed. In the final of this book, we introduce the crystal engineering of energetic materials. This book features the first proposal of intrinsic structure and crystal engineering of energetic materials and the understanding of the properties and performances of energetic materials by maintaining a concept that structure determines property. It helps to promote the rationality in creating new energetic materials, rather than increase experience.
Download or read book Mechanochemical Processes in Energetic Materials written by Adam A. L. Michalchuk and published by Springer Nature. This book was released on 2020-11-23 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
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 Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Energetic Compounds written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-05-05 with total page 191 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Chemical Rocket Propulsion written by Luigi T. De Luca and published by Springer. This book was released on 2016-08-19 with total page 1069 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developed and expanded from the work presented at the New Energetic Materials and Propulsion Techniques for Space Exploration workshop in June 2014, this book contains new scientific results, up-to-date reviews, and inspiring perspectives in a number of areas related to the energetic aspects of chemical rocket propulsion. This collection covers the entire life of energetic materials from their conceptual formulation to practical manufacturing; it includes coverage of theoretical and experimental ballistics, performance properties, as well as laboratory-scale and full system-scale, handling, hazards, environment, ageing, and disposal. Chemical Rocket Propulsion is a unique work, where a selection of accomplished experts from the pioneering era of space propulsion and current technologists from the most advanced international laboratories discuss the future of chemical rocket propulsion for access to, and exploration of, space. It will be of interest to both postgraduate and final-year undergraduate students in aerospace engineering, and practicing aeronautical engineers and designers, especially those with an interest in propulsion, as well as researchers in energetic materials.
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
