molecular modeling of the sensitivities of energetic materials

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Molecular Modeling of the Sensitivities of Energetic Materials
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Publisher : Elsevier
Release Date :
ISBN 10 : 9780128229712
Pages : 265 pages
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The strict safety requirements associated with experimental studies of energetic materials warrant a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity, leading to a lot of experimental data in this area. Modern machine learning techniques, new physics-based models, and new reactive molecular dynamics and multiscale simulation methods have subsequently led to quantitative procedures applicable to large datasets and yielded valuable insight into the underlying initiation mechanisms. Molecular Modeling of the Sensitivities of Energetic Materials highlights these latest developments. Beginning with an introduction to experimental aspects in Part 1, Parts 2 and 3 then explore relationships between sensitivity, molecular structure and crystal structure, before going on to discuss insights from numerical simulations in Part 4. Part 5 then 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, Molecular Modeling of the Sensitivities of Energetic Materials is an authoritative guide to this exciting field of research. Highlights a range of approaches for computational simulation and highlights the importance of combining these in order to accurately understand or estimate different parameters Provides an overview of experimental findings and knowledge in a quick, accessible format Presents guidelines to implement sensitivity models using open-source python related software, supporting easy implementation of flexible models and allowing fast assessment of hypotheses

Molecular Modeling of the Sensitivities of Energetic Materials

The strict safety requirements associated with experimental studies of energetic materials warrant a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. Much recent effort has been put

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Energy Research Abstracts

Download or read online Energy Research Abstracts written by Anonim, published by Unknown which was released on 1993. Get Energy Research Abstracts Books now! Available in PDF, ePub and Kindle.

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The Properties of Energetic Materials

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

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Scientific and Technical Aerospace Reports

Download or read online Scientific and Technical Aerospace Reports written by Anonim, published by Unknown which was released on 1993. Get Scientific and Technical Aerospace Reports Books now! Available in PDF, ePub and Kindle.

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Shock Compression of Condensed Matter  2005

Download or read online Shock Compression of Condensed Matter 2005 written by Michael D. Furnish, published by Unknown which was released on 2006. Get Shock Compression of Condensed Matter 2005 Books now! Available in PDF, ePub and Kindle.

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Energetic Materials

This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on explosives and propellants. The contents and format reflect the fact that theory, experiment and computation are closely linked in this field. The challenge of developing energetic materials that are less sensitive

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High Energy Density Materials

Download or read online High Energy Density Materials written by Thomas M. Klapötke, published by Springer which was released on 2007-06-12. Get High Energy Density Materials Books now! Available in PDF, ePub and Kindle.

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Energetic Materials

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

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The Journal of Chemical Physics

Download or read online The Journal of Chemical Physics written by Anonim, published by Unknown which was released on 1999. Get The Journal of Chemical Physics Books now! Available in PDF, ePub and Kindle.

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Energetic Materials

Incorporation of particular components with specialized properties allows one to tailor the end product's properties. For instance, the sensitivity, burning behavior, thermal or mechanical properties or stability of energetic materials can be affected and even controllably varied through incorporation of such ingredients. This book examines particle technologies as applied to

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Shock Compression of Condensed Matter   2001

This collection of 336 papers discusses recent research on the response of inert and energetic materials to high-pressure environments produced by rapid loading phenomena. This includes theoretical, computational (modeling/simulation) and experimental studies of inert and energetic materials, as well as ballistic and material synthesis studies and advances in experimental techniques.

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NATO Science Programme Yearbook Compendium  1985 1989

Download or read online NATO Science Programme Yearbook Compendium 1985 1989 written by Anonim, published by Unknown which was released on 1991. Get NATO Science Programme Yearbook Compendium 1985 1989 Books now! Available in PDF, ePub and Kindle.

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Chemistry and Physics of Energetic Materials

Proceedings of the NATO Advanced Study Institute on Chemistry and Physics of the Molecular Processes in Energetic Materials, Altavilla Milicia, Sicily, Italy, September 3-15, 1989

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Energetic Materials

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

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Uncertainty Quantification in Multiscale Materials Modeling

Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This

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