Energetic Materials

Author: Veera Boddu
Publisher: CRC Press
ISBN: 9781439835142
Format: PDF
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The development, processing, and lifecycle environmental impact analysis of energetic materials all pose various challenges and potential dangers. Because safety concerns severely limit study of these substances at most research facilities, engineers will especially appreciate a tool that strengthens understanding of the chemistry and physics involved and helps them better predict how these materials will behave when used in explosives, propellants, pyrotechnics, and other applications. Integrate Cutting-Edge Research Sponsored by the U.S. Department of Defense Energetic Materials: Thermophysical Properties, Predictions, and Experimental Measurements covers a variety of advanced empirical modeling and simulation tools used to explore development, performance, sensitivity, and lifecycle issues of energetic materials. Focusing on a critical component of energetic materials research— prediction of thermophysical properties—this book elucidates innovative and experimental techniques being used to: Apply molecular and meso-scale modeling methodologies to measure reactivity, performance, and properties of new energetic materials Gain insight into shear initiation at the particulate level Better understand the fate, transport, and overall environmental impact of energetic materials Evaluate the performance of new materials and assess their reaction mechanisms Edited by two respected U.S. Army engineers, this book highlights cutting-edge research from leaders in the energetics community. Documenting the history, applications, and environmental behavior of energetic materials, this reference is a valuable resource for anyone working to optimize their massive potential—either now or in the future.

Energetic Materials

Author: Manoj K. Shukla
Publisher: Springer
ISBN: 3319592084
Format: PDF, Kindle
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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.

Practical Aspects of Computational Chemistry II

Author: Jerzy Leszczynski
Publisher: Springer Science & Business Media
ISBN: 9400709234
Format: PDF, ePub, Mobi
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Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to success of which all authors contributed. Starting with the recent development of modeling of solvation effect using the Polarizable Continuum Model (PCM) at the Coupled-Cluster level and the effects of extreme pressure on the molecular properties within the PCM framework, this volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the s-bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage. Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers. Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers.

Emerging Energetic Materials Synthesis Physicochemical and Detonation Properties

Author: Dabir S. Viswanath
Publisher: Springer
ISBN: 9402412018
Format: PDF, Kindle
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This book summarizes science and technology of a new generation of high-energy andinsensitive explosives. The objective is to provide professionals with comprehensiveinformation on the synthesis and the physicochemical and detonation properties ofthe explosives. Potential technologies applicable for treatment of contaminated wastestreams from manufacturing facilities and environmental matrices are also be included.This book provides the reader an insight into the depth and breadth of theoreticaland empirical models and experimental techniques currently being developed in thefield of energetic materials. It presents the latest research by DoD engineers andscientists, and some of DoD’s academic and industrial researcher partners. The topicsexplored and the simulations developed or modified for the purposes of energetics mayfind application in other closely related fields, such as the pharmaceutical industry.One of the key features of the book is the treatment of wastewaters generated duringmanufacturing of these energetic materials.

Energetic Materials

Author:
Publisher: Elsevier
ISBN: 9780080530901
Format: PDF, Kindle
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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

Static Compression of Energetic Materials

Author: Suhithi M. Peiris
Publisher: Springer Science & Business Media
ISBN: 3540681515
Format: PDF, ePub, Mobi
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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.

High Thermal Conductivity Materials

Author: Subhash L. Shinde
Publisher: Springer Science & Business Media
ISBN: 9780387220215
Format: PDF, Kindle
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Covers the basic understanding of thermal conduction mechanisms in various high thermal conductivity materials including diamond, cubic boron nitride, and also the material like carbon nanotubes. This book is intended as a reference book for scientists and engineers involved in addressing thermal management issues.

Experimental Micro Nanoscale Thermal Transport

Author: Xinwei Wang
Publisher: John Wiley & Sons
ISBN: 1118007441
Format: PDF, Docs
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"This is the first book to focus on thermal characterization of the thermophysical properties of micro/nanoscale materials"--Provided by publisher.