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Titlebook: Mechanochemical Processes in Energetic Materials; A Computational and Adam A. L. Michalchuk Book 2020 Springer Nature Switzerland AG 2020

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发表于 2025-3-21 18:05:57 | 显示全部楼层 |阅读模式
书目名称Mechanochemical Processes in Energetic Materials
副标题A Computational and
编辑Adam A. L. Michalchuk
视频video
概述Nominated as an outstanding Ph.D. thesis by the University of Edinburgh, Scotland, UK.Discusses the theory development to allow easy adaptation.Combines theory and experiments, making it accessible to
丛书名称Springer Theses
图书封面Titlebook: Mechanochemical Processes in Energetic Materials; A Computational and  Adam A. L. Michalchuk Book 2020 Springer Nature Switzerland AG 2020
描述.This book uses experimental and computational methods to rationalize and predict for the first time the relative impact sensitivities of a range of energetic materials. Using knowledge of crystal structures, vibrational properties, energy-transfer mechanisms, and experimentally measured sensitivities, it describes a model that leads to excellent correlation with experimental results in all cases. As such, the book paves the way for a new, fully ab initio approach for the design of safer energetic materials based solely on knowledge of their solid-state structures...Energetic materials (explosives, propellants, gas generators, and pyrotechnics) are defined as materials that release heat and/or gaseous products at a high rate upon stimulus by heat, impact, shock, sparks, etc. They have widespread military and civilian uses, including munitions, mining, quarrying, demolition, emergency signaling, automotive safety, and space exploration. One of their most important properties issensitivity to accidental initiation during manufacture, transport, storage, and operation, which has important implications for their safe use..
出版日期Book 2020
关键词Energetic Materials; Energetic Azides; Molecular Energetic Materials; Impact Sensitivity Prediction; Str
版次1
doihttps://doi.org/10.1007/978-3-030-56966-2
isbn_softcover978-3-030-56968-6
isbn_ebook978-3-030-56966-2Series ISSN 2190-5053 Series E-ISSN 2190-5061
issn_series 2190-5053
copyrightSpringer Nature Switzerland AG 2020
The information of publication is updating

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发表于 2025-3-21 23:47:25 | 显示全部楼层
Adam A. L. MichalchukNominated as an outstanding Ph.D. thesis by the University of Edinburgh, Scotland, UK.Discusses the theory development to allow easy adaptation.Combines theory and experiments, making it accessible to
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Experimental and Computational Methods,This chapter provides a brief introduction to the theoretical and experimental techniques used throughout the thesis. Discussion includes an introduction to Density Functional Theory and its practical considerations, an overview of inelastic neutron scattering spectroscopy, X-ray diffraction, and fall hammer explosives testing.
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Vibrational Up-Pumping in Some Molecular Energetic Materials,ne (HMX), 2,4,6-trinitrotoluene (TNT) and triaminotrinitrobenzene (TATB). These compounds are typically based on similar structural moieties (explosophores), often −NO. functionality, or numerous N–N, N–O or C–N bonds.
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Mechanochemical Processes in Energetic Materials978-3-030-56966-2Series ISSN 2190-5053 Series E-ISSN 2190-5061
发表于 2025-3-23 07:25:02 | 显示全部楼层
Vibrational Up-Pumping: Predicting Impact Sensitivity of Some Energetic Azide,l mode can facilitate bond rupture. The relative rate of vibrational energy transfer into this bending motion is considered for each of the azide materials, and found to provide a good description for their relative impact sensitivity.
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