Download or read book Energetic Materials at Extreme Conditions written by David I.A. Millar and published by Springer Science & Business Media. This book was released on 2011-09-24 with total page 222 pages. Available in PDF, EPUB and Kindle. Book excerpt: David I.A. Millar's thesis explores the effects of extreme conditions on energetic materials. His study identifies and structurally characterises new polymorphs obtained at high pressures and/or temperatures. The performance of energetic materials (pyrotechnics, propellants and explosives) can depend on a number of factors including sensitivity to detonation, detonation velocity, and chemical and thermal stability. Polymorphism and solid-state phase transitions may therefore have significant consequences for the performance and safety of energetic materials. In order to model the behaviour of these important materials effectively under operational conditions it is essential to obtain detailed structural information at a range of temperatures and pressures.
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 The Reactivity of Energetic Materials At Extreme Conditions written by and published by . This book was released on 2006 with total page 46 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Although the history of HE materials is long, their condensed-phase properties are poorly understood. Understanding the condensed-phase properties of HE materials is important for determining stability and performance. Information regarding HE material properties (for example, the physical, chemical, and mechanical behaviors of the constituents in plastic-bonded explosive, or PBX, formulations) is necessary for efficiently building the next generation of explosives as the quest for more powerful energetic materials (in terms of energy per volume) moves forward. In modeling HE materials there is a need to better understand the physical, chemical, and mechanical behaviors from fundamental theoretical principles. Among the quantities of interest in plastic-bonded explosives (PBXs), for example, are thermodynamic stabilities, reaction kinetics, equilibrium transport coefficients, mechanical moduli, and interfacial properties between HE materials and the polymeric binders. These properties are needed (as functions of stress state and temperature) for the development of improved micro-mechanical models, which represent the composite at the level of grains and binder. Improved micro-mechanical models are needed to describe the responses of PBXs to dynamic stress or thermal loading, thus yielding information for use in developing continuum models. Detailed descriptions of the chemical reaction mechanisms of condensed energetic materials at high densities and temperatures are essential for understanding events that occur at the reactive front under combustion or detonation conditions. Under shock conditions, for example, energetic materials undergo rapid heating to a few thousand degrees and are subjected to a compression of hundreds of kilobars, resulting in almost 30% volume reduction. Complex chemical reactions are thus initiated, in turn releasing large amounts of energy to sustain the detonation process. Clearly, understanding of the various chemical events at these extreme conditions is essential in order to build predictive material models. Scientific investigations into the reactive process have been undertaken over the past two decades. However, the sub-[mu]s time scale of explosive reactions, in addition to the highly exothermic conditions of an explosion, make experimental investigation of the decomposition pathways difficult at best. More recently, new computational approaches to investigate condensed-phase reactivity in energetic materials have been developed. Here we focus on two different approaches to condensed-phase reaction modeling: chemical equilibrium methods and atomistic modeling of condensed-phase reactions. These are complementary approaches to understanding the chemical reactions of high explosives. Chemical equilibrium modeling uses a highly simplified thermodynamic picture of the reaction process, leading to a convenient and predictive model of detonation and other decomposition processes. Chemical equilibrium codes are often used in the design of new materials, both at the level of synthesis chemistry and formulation. Atomistic modeling is a rapidly emerging area. The doubling of computational power approximately every 18 months has made atomistic condensed-phase modeling more feasible. Atomistic calculations employ far fewer empirical parameters than chemical equilibrium calculations. Nevertheless, the atomistic modeling of chemical reactions requires an accurate global Born-Oppenheimer potential energy surface. Traditionally, such a surface is constructed by representing the potential energy surface with an analytical fit. This approach is only feasible for simple chemical reactions involving a small number of atoms. More recently, first principles molecular dynamics, where the electronic Schroedinger equation is solved numerically at each configuration in a molecular dynamics simulation, has become the method of choice for treating complicated chemical reactions.
Download or read book Materials Under Extreme Conditions written by A. K. Tyagi and published by Elsevier. This book was released on 2017-01-13 with total page 872 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials Under Extreme Conditions: Recent Trends and Future Prospects analyzes the chemical transformation and decomposition of materials exposed to extreme conditions, such as high temperature, high pressure, hostile chemical environments, high radiation fields, high vacuum, high magnetic and electric fields, wear and abrasion related to chemical bonding, special crystallographic features, and microstructures. The materials covered in this work encompass oxides, non-oxides, alloys and intermetallics, glasses, and carbon-based materials. The book is written for researchers in academia and industry, and technologists in chemical engineering, materials chemistry, chemistry, and condensed matter physics. Describes and analyzes the chemical transformation and decomposition of a wide range of materials exposed to extreme conditions Brings together information currently scattered across the Internet or incoherently dispersed amongst journals and proceedings Presents chapters on phenomena, materials synthesis, and processing, characterization and properties, and applications Written by established researchers in the field
Download or read book Explosive Chemistry written by and published by . This book was released on 2003 with total page 42 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the brief instant of a high-explosive detonation, the shock wave produces a pressure 500,000 times that of the Earth's atmosphere, the detonation wave travels as fast as 10 kilometers per second, and internal temperatures soar up to 5,500 Kelvin. As the shock propagates through the energetic material, the rapid heating coupled with compression that results in almost 30% volume reduction, initiate complex chemical reactions. A dense, highly reactive supercritical fluid is established behind the propagating detonation front. Energy release from the exothermic chemical reactions serve in turn to drive and sustain the detonation process until complete reactivity is reached. Several experimental results suggest the existence of strong correlations between the applied mechanical stress and shocks, the local heterogeneity and defects (dislocations, vacancies, cracks, impurities, etc.), and the onset of chemical reactions. The reaction chemistry of energetic materials at high pressure and temperature is, therefore, of considerable importance in understanding processes that these materials experience under impact and detonation conditions. Chemical decomposition models are critical ingredients in order to predict, among other things, the measured times to explosion and the conditions for ignition of hot spots, localized regions of highly concentrated energy associated with defects. To date, chemical kinetic rates of condense-phase energetic materials at detonation conditions are virtually non-existent, and basic questions such as: (a) which bond in a given energetic molecule breaks first, and (b) what type of chemical reactions (unimolecular versus bimolecular, etc.) that dominate early in the decomposition process, are still largely unknown.
Download or read book Materials in Extreme Environments written by Daryush Ila and published by Cambridge University Press. This book was released on 2014-06-05 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book investigates the fundamental properties and response of materials in extreme environments such as static and dynamic high pressure, high strain and high strain-rates, high radiation and electromagnetic fields, high and low temperatures, corrosive conditions, environments causing embrittlement, and environments containing atomic oxygen. This is an extremely active and vibrant field of research, in particular because it is now possible to create laboratory conditions similar in pressure, temperature and radiation to those found in planetary interiors and in space. In addition, advanced simulation methods, coupled with high-performance computing platforms, now afford predictions - on a first-principles basis - of the properties of materials in extreme environments. Scientists from a broad spectrum of fields are represented, including space science, planetary science, high-pressure research, shock physics, ultrafast science, and energetic materials research.
Download or read book Chemistry at Extreme Conditions written by M.R. Manaa and published by Elsevier. This book was released on 2005-03-02 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry at Extreme Conditions covers those chemical processes that occur in the pressure regime of 0.5–200 GPa and temperature range of 500–5000 K and includes such varied phenomena as comet collisions, synthesis of super-hard materials, detonation and combustion of energetic materials, and organic conversions in the interior of planets. The book provides an insight into this active and exciting field of research. Written by top researchers in the field, the book covers state of the art experimental advances in high-pressure technology, from shock physics to laser-heating techniques to study the nature of the chemical bond in transient processes. The chapters have been conventionally organised into four broad themes of applications: biological and bioinorganic systems; Experimental works on the transformations in small molecular systems; Theoretical methods and computational modeling of shock-compressed materials; and experimental and computational approaches in energetic materials research. * Extremely practical book containing up-to-date research in high-pressure science * Includes chapters on recent advances in computer modelling* Review articles can be used as reference guide
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 293 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 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 Energetic Materials written by Manoj K. Shukla and published by Springer. This book was released on 2017-10-09 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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 Energetic Materials written by and published by Elsevier. This book was released on 2003-11-25 with total page 487 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. - Overall emphasis is on theory and computation, presented in the context of relevant experimental work- Presents a unique state-of-the-art treatment of the subject- Contributors are preeminent researchers in the 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 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 The Properties of Energetic Materials written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2017-11-20 with total page 207 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 Energetic Materials written by Mark J. Mezger and published by CRC Press. This book was released on 2017-07-06 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book will take an in-depth look at the technologies, processes, and capabilities to develop and produce "next generation" energetic materials for both commercial and defense applications, including military, mining operations, oil production and well perforation, and construction demolition. It will serve to highlight the critical technologies, latest developments, and the current capability gaps that serve as barriers to military fielding or transition to the commercial marketplace. It will also explain how the processing technologies can be spun out for use in other non-energetics related industries.
Download or read book Nano Energetic Materials written by Shantanu Bhattacharya and published by Springer. This book was released on 2018-11-09 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the latest research on the area of nano-energetic materials, their synthesis, fabrication, patterning, application and integration with various MEMS systems and platforms. Keeping in mind the applications for this field in aerospace and defense sectors, the articles in this volume contain contributions by leading researchers in the field, who discuss the current challenges and future perspectives. This volume will be of use to researchers working on various applications of high-energy research.
