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
GET BOOK

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 ...

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....

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The Properties of Energetic Materials
  • Author : Mohammad Hossein Keshavarz,Thomas M. Klapƶtke
  • 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 ...

Scientific and Technical Aerospace Reports

Scientific and Technical Aerospace Reports
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1992
  • Total pages : 212
  • ISBN : 9780128229712
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Summary : Read online Scientific and Technical Aerospace Reports written by , published by which was released on 1992. Download full Scientific and Technical Aerospace Reports Books now! Available in PDF, ePub and Kindle....

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Shock Compression of Condensed Matter  2005
  • Author : Michael D. Furnish
  • Publisher : Unknown
  • Release Date : 2006
  • Total pages : 1573
  • ISBN : 9780128229712
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Summary : Read online Shock Compression of Condensed Matter 2005 written by Michael D. Furnish, published by which was released on 2006. Download full Shock Compression of Condensed Matter 2005 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....

Shock Compression of Condensed Matter 2001

Shock Compression of Condensed Matter   2001
  • Author : Michael D. Furnish,Naresh N. Thadhani,Yasuyuki Horie
  • Publisher : American Institute of Physics
  • Release Date : 2002
  • Total pages : 732
  • ISBN : 9780128229712
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Summary : 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. ...

NATO Science Programme Yearbook Compendium 1985 1989

NATO Science Programme Yearbook Compendium  1985 1989
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 1991
  • Total pages : 409
  • ISBN : 9780128229712
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Summary : Read online NATO Science Programme Yearbook Compendium 1985 1989 written by , published by which was released on 1991. Download full NATO Science Programme Yearbook Compendium 1985 1989 Books now! Available in PDF, ePub and Kindle....

Annual Review of Materials Research

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  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 2001
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Summary : Read online Annual Review of Materials Research written by , published by which was released on 2001. Download full Annual Review of Materials Research 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. ...

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  • Author : N. N. Thadhani
  • Publisher : Unknown
  • Release Date : 2006
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Summary : Read online Multifunctional Energetic Materials written by N. N. Thadhani, published by which was released on 2006. Download full Multifunctional Energetic Materials Books now! Available in PDF, ePub and Kindle....

Shock Compression of Condensed Matter 2007

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  • Publisher : American Institute of Physics
  • Release Date : 2007-12-10
  • Total pages : 1500
  • ISBN : 9780128229712
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Summary : This volume embodies the most recent research on shock compression of condensed matter, and includes 335 plenary, invited and contributed papers on topics including equation of state, phase transitions, chemical reactions, and warm dense matter. Also covered are subject such as fracture, geophysics and planetary science, and energetic materials, among others. ...

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  • 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 ...

Bulletin of the Korean Chemical Society

Bulletin of the Korean Chemical Society
  • Author : Anonim
  • Publisher : Unknown
  • Release Date : 2005
  • Total pages : 212
  • ISBN : 9780128229712
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Summary : Read online Bulletin of the Korean Chemical Society written by , published by which was released on 2005. Download full Bulletin of the Korean Chemical Society Books now! Available in PDF, ePub and Kindle....

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  • Author : Anonim
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  • Release Date : 1999
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Summary : Read online International Aerospace Abstracts written by , published by which was released on 1999. Download full International Aerospace Abstracts Books now! Available in PDF, ePub and Kindle....