Molecular Modeling of the Sensitivities of Energetic Materials

Written By Didier Mathieu
Molecular Modeling of the Sensitivities of Energetic Materials
  • Publsiher : Elsevier
  • Release : 15 June 2021
  • ISBN : 9780128229712
  • Pages : 265 pages
  • Rating : /5 from reviews
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Download or read book entitled Molecular Modeling of the Sensitivities of Energetic Materials by author: Didier Mathieu which was release on 15 June 2021 and published by Elsevier with total page 265 pages . This book available in PDF, EPUB and Kindle Format. 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

Molecular Modeling of the Sensitivities of Energetic Materials
  • Author : Didier Mathieu
  • Publisher : Elsevier
  • Release Date : 2021-06-15
  • Total pages : 265
  • ISBN : 9780128229712
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Summary : 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 ...

Sensitivity of Polymer bonded Explosives from Molecular Modeling Data

Sensitivity of Polymer bonded Explosives from Molecular Modeling Data
  • Author : David Brochu
  • Publisher : Unknown
  • Release Date : 2018
  • Total pages : 36
  • ISBN : 9780128229712
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Summary : Read online Sensitivity of Polymer bonded Explosives from Molecular Modeling Data written by David Brochu, published by which was released on 2018. Download full Sensitivity of Polymer bonded Explosives from Molecular Modeling Data Books now! Available in PDF, ePub and Kindle....

Overviews of Recent Research on Energetic Materials

Overviews of Recent Research on Energetic Materials
  • Author : Robert W Shaw,Thomas B Brill,Donald L Thompson
  • Publisher : World Scientific
  • Release Date : 2005-08-02
  • Total pages : 532
  • ISBN : 9780128229712
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Summary : ' 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. ...

The Properties of Energetic Materials

The Properties of Energetic Materials
  • Author : Mohammad Hossein Keshavarz,Thomas M. Klapötke
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release Date : 2017-11-20
  • Total pages : 207
  • ISBN : 9780128229712
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Summary : 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 ...

Mechanochemical Processes in Energetic Materials

Mechanochemical Processes in Energetic Materials
  • Author : Adam A. L. Michalchuk
  • Publisher : Springer Nature
  • Release Date : 2021-07-28
  • Total pages : 212
  • ISBN : 9780128229712
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Summary : Read online Mechanochemical Processes in Energetic Materials written by Adam A. L. Michalchuk, published by Springer Nature which was released on . Download full Mechanochemical Processes in Energetic Materials Books now! Available in PDF, ePub and Kindle....

Energetic Materials

Energetic Materials
  • Author : John R. Sabin
  • Publisher : Academic Press
  • Release Date : 2014-02-10
  • Total pages : 360
  • ISBN : 9780128229712
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Summary : 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 ...

Theoretical Studies of the Sensitivity of Energetic Materials

Theoretical Studies of the Sensitivity of Energetic Materials
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 2003
  • Total pages : 11
  • ISBN : 9780128229712
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Summary : The research supported by AFOSR grant F49620-00-1-0273 for the period 15 April 2000 to 14 April 2003 is described. The purpose of this research program is to develop atomic-level models for high energy density materials (HEDM), and to study their fundamental properties and behaviors that determine their suitability as practical propellants ...

Energetic Materials

Energetic Materials
  • Author : Veera Boddu,Paul Redner
  • Publisher : CRC Press
  • Release Date : 2010-12-07
  • Total pages : 280
  • ISBN : 9780128229712
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Summary : 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 ...

Energetic Materials

Energetic Materials
  • Author : Anonim
  • Publisher : Elsevier
  • Release Date : 2003-11-21
  • Total pages : 474
  • ISBN : 9780128229712
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Summary : 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 ...

Green Energetic Materials

Green Energetic Materials
  • Author : Tore Brinck
  • Publisher : John Wiley & Sons
  • Release Date : 2014-01-15
  • Total pages : 304
  • ISBN : 9780128229712
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Summary : 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 ...

Energetic Materials

Energetic Materials
  • Author : Anonim
  • Publisher : Elsevier
  • Release Date : 2003-11-25
  • Total pages : 486
  • ISBN : 9780128229712
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Summary : 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 Materials

Energetic Materials
  • Author : Ulrich Teipel
  • Publisher : John Wiley & Sons
  • Release Date : 2006-03-06
  • Total pages : 643
  • ISBN : 9780128229712
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Summary : 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 ...

Energy Research Abstracts

Energy Research Abstracts
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1993
  • Total pages : 212
  • ISBN : 9780128229712
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Summary : Read online Energy Research Abstracts written by , published by which was released on 1993. Download full Energy Research Abstracts Books now! Available in PDF, ePub and Kindle....

The Journal of Chemical Physics

The Journal of Chemical Physics
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1999
  • Total pages : 212
  • ISBN : 9780128229712
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Summary : Read online The Journal of Chemical Physics written by , published by which was released on 1999. Download full The Journal of Chemical Physics Books now! Available in PDF, ePub and Kindle....

Fundamental Properties and Processes of Energetic Materials

Fundamental Properties and Processes of Energetic Materials
  • Author : Oscar Ulises Ojeda Mota
  • Publisher : Unknown
  • Release Date : 2012
  • Total pages : 212
  • ISBN : 9780128229712
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Summary : Energetic materials comprise a set of systems of tremendous technological importance. Besides helping shape landscapes to establish communications, they have been used to reach fuel reservoirs, deploy safety bags and prevent heart strokes. Understanding its behavior can help in attaining strategic and tactical superiority, and importantly, preserve lives of people ...