Energetic Materials at Extreme Conditions

Energetic Materials at Extreme Conditions

Author: David I.A. Millar

Publisher: Springer Science & Business Media

Published: 2011-09-24

Total Pages: 222

ISBN-13: 9783642231322

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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.


Book Synopsis Energetic Materials at Extreme Conditions by : David I.A. Millar

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.

Overviews of Recent Research on Energetic Materials

Overviews of Recent Research on Energetic Materials

Author: Robert W Shaw

Publisher: World Scientific

Published: 2005-08-02

Total Pages: 532

ISBN-13: 9814480908

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' 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. Contents:Connecting Molecular Properties to Decomposition, Combustion and Explosion Trends (T B Brill)Thermal Decomposition Processes of Energetic Materials in the Condensed Phase at Low and Moderate Temperatures (R Behrens)Study of Energetic Material Combustion Chemistry by Probing Mass Spectrometry and Modeling of Flames (O P Korobeinichev)Optical Spectroscopic Measurements of Energetic Material Flame Structure (T Parr & D Hanson-Parr)Transient Gas-Phase Intermediates in the Decomposition of Energetic Materials (P J Dagdigian)Role of Excited Electronic States in the Decomposition of Energetic Materials (E R Bernstein)Gas-Phase Kinetics for Propellant Combustion Modeling: Requirements and Experiments (W R Anderson & A Fontijn)Gas-Phase Decomposition of Energetic Molecules (D L Thompson)Modeling the Reactions of Energetic Materials in the Condensed Phase (L E Fried et al.)Multi-Phonon Up-Pumping in Energetic Materials (D D Dlott)Applications of Theoretical Chemistry in Assessing Energetic Materials for Performance or Sensitivity (B M Rice)Combustion and Ignition of Nitramine Propellants: Aspects of Modeling, Simulation, and Analysis (E S Kim & V Yang)Burning-Rate Models and Their Successors, A Personal Perspective (M S Miller)Ideas to Expand Thinking About New Energetic Materials (J Bottaro) Readership: Researchers studying fast chemical reactions and materials behavior under extreme conditions. Experts and beginners in energetic decomposition, combustion and detonation research. Keywords:Energetic Materials;Combustion;Thermal Decomposition;Combustion Model;Materials Design;Flames;Explosive;Propellant;Computational Chemistry;DetonationKey Features:Summarizes the known knowns (the most important recent work) and lists the known unknowns (what remains to be investigated)Provides expert commentary on the complex behavior of materialsReviews:“This book nicely covers the application of many experimental and theoretical tools to study the difficult problem of ignition and combustion of many traditional energetic materials. It could be a valuable resource to the researchers in the field.”Journal of the American Chemical Society '


Book Synopsis Overviews of Recent Research on Energetic Materials by : Robert W Shaw

Download or read book Overviews of Recent Research on Energetic Materials written by Robert W Shaw and published by World Scientific. This book was released on 2005-08-02 with total page 532 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. Contents:Connecting Molecular Properties to Decomposition, Combustion and Explosion Trends (T B Brill)Thermal Decomposition Processes of Energetic Materials in the Condensed Phase at Low and Moderate Temperatures (R Behrens)Study of Energetic Material Combustion Chemistry by Probing Mass Spectrometry and Modeling of Flames (O P Korobeinichev)Optical Spectroscopic Measurements of Energetic Material Flame Structure (T Parr & D Hanson-Parr)Transient Gas-Phase Intermediates in the Decomposition of Energetic Materials (P J Dagdigian)Role of Excited Electronic States in the Decomposition of Energetic Materials (E R Bernstein)Gas-Phase Kinetics for Propellant Combustion Modeling: Requirements and Experiments (W R Anderson & A Fontijn)Gas-Phase Decomposition of Energetic Molecules (D L Thompson)Modeling the Reactions of Energetic Materials in the Condensed Phase (L E Fried et al.)Multi-Phonon Up-Pumping in Energetic Materials (D D Dlott)Applications of Theoretical Chemistry in Assessing Energetic Materials for Performance or Sensitivity (B M Rice)Combustion and Ignition of Nitramine Propellants: Aspects of Modeling, Simulation, and Analysis (E S Kim & V Yang)Burning-Rate Models and Their Successors, A Personal Perspective (M S Miller)Ideas to Expand Thinking About New Energetic Materials (J Bottaro) Readership: Researchers studying fast chemical reactions and materials behavior under extreme conditions. Experts and beginners in energetic decomposition, combustion and detonation research. Keywords:Energetic Materials;Combustion;Thermal Decomposition;Combustion Model;Materials Design;Flames;Explosive;Propellant;Computational Chemistry;DetonationKey Features:Summarizes the known knowns (the most important recent work) and lists the known unknowns (what remains to be investigated)Provides expert commentary on the complex behavior of materialsReviews:“This book nicely covers the application of many experimental and theoretical tools to study the difficult problem of ignition and combustion of many traditional energetic materials. It could be a valuable resource to the researchers in the field.”Journal of the American Chemical Society '

Computational Approaches for Chemistry Under Extreme Conditions

Computational Approaches for Chemistry Under Extreme Conditions

Author: Nir Goldman

Publisher: Springer

Published: 2019-02-18

Total Pages: 293

ISBN-13: 3030056007

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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.


Book Synopsis Computational Approaches for Chemistry Under Extreme Conditions by : Nir Goldman

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.

Materials in Extreme Environments:

Materials in Extreme Environments:

Author: Daryush Ila

Publisher: Cambridge University Press

Published: 2014-06-05

Total Pages: 228

ISBN-13: 9781107408814

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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.


Book Synopsis Materials in Extreme Environments: by : Daryush Ila

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.

Materials Under Extreme Conditions

Materials Under Extreme Conditions

Author: A.K. Tyagi

Publisher: Elsevier

Published: 2017-01-13

Total Pages: 870

ISBN-13: 0128014423

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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


Book Synopsis Materials Under Extreme Conditions by : A.K. Tyagi

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 870 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

Energetic Materials

Energetic Materials

Author: John R. Sabin

Publisher: Academic Press

Published: 2014-02-10

Total Pages: 357

ISBN-13: 0128004509

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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


Book Synopsis Energetic Materials by : John R. Sabin

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

Chemistry at Extreme Conditions

Chemistry at Extreme Conditions

Author: M.R. Manaa

Publisher: Elsevier

Published: 2005-03-02

Total Pages: 536

ISBN-13: 0080456995

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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


Book Synopsis Chemistry at Extreme Conditions by : M.R. Manaa

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 536 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

Molecular Modeling of the Sensitivities of Energetic Materials

Molecular Modeling of the Sensitivities of Energetic Materials

Author: Didier Mathieu

Publisher: Elsevier

Published: 2022-04-01

Total Pages: 488

ISBN-13: 0128231106

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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


Book Synopsis Molecular Modeling of the Sensitivities of Energetic Materials by : Didier Mathieu

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

Materials Under Extreme Conditions: Molecular Crystals At High Pressure

Materials Under Extreme Conditions: Molecular Crystals At High Pressure

Author: Vincenzo Schettino

Publisher: World Scientific

Published: 2013-11-20

Total Pages: 372

ISBN-13: 1783264314

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High-pressure materials research has been revolutionized in the past few years due to technological breakthroughs in the diamond anvil cell (DAC), shock wave compression and molecular dynamic simulation (MD) methods. The application of high pressure, especially together with high temperature, has revealed exciting modifications of physical and chemical properties even in the simplest molecular materials.Besides the fundamental importance of these studies to understand the composition and the dynamics of heart and planets' interior, new materials possessing peculiar characteristics of hardness and composition have been synthesized at very high pressure, while unexpected chemical reactions of simple molecules to polymers and amorphous compounds have been found at milder conditions.The variety of the phenomena observed in these extreme conditions and of the materials involved provides a common ground bridging scientific communities with different cultural and experimental backgrounds. This monograph will provide a timely opportunity to report on recent progress in the field.


Book Synopsis Materials Under Extreme Conditions: Molecular Crystals At High Pressure by : Vincenzo Schettino

Download or read book Materials Under Extreme Conditions: Molecular Crystals At High Pressure written by Vincenzo Schettino and published by World Scientific. This book was released on 2013-11-20 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-pressure materials research has been revolutionized in the past few years due to technological breakthroughs in the diamond anvil cell (DAC), shock wave compression and molecular dynamic simulation (MD) methods. The application of high pressure, especially together with high temperature, has revealed exciting modifications of physical and chemical properties even in the simplest molecular materials.Besides the fundamental importance of these studies to understand the composition and the dynamics of heart and planets' interior, new materials possessing peculiar characteristics of hardness and composition have been synthesized at very high pressure, while unexpected chemical reactions of simple molecules to polymers and amorphous compounds have been found at milder conditions.The variety of the phenomena observed in these extreme conditions and of the materials involved provides a common ground bridging scientific communities with different cultural and experimental backgrounds. This monograph will provide a timely opportunity to report on recent progress in the field.

Energetic Materials

Energetic Materials

Author: Mark J. Mezger

Publisher: CRC Press

Published: 2017-07-06

Total Pages: 290

ISBN-13: 1351681265

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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.


Book Synopsis Energetic Materials by : Mark J. Mezger

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 290 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.