Molecular Modeling of the Sensitivities of Energetic Materials

Download or Read online Molecular Modeling of the Sensitivities of Energetic Materials full in PDF, ePub and kindle. This book written by Didier Mathieu and published by Elsevier which was released on 01 April 2022 with total pages 265. We cannot guarantee that Molecular Modeling of the Sensitivities of Energetic Materials book is available in the library, click Get Book button to download or read online books. Join over 650.000 happy Readers and READ as many books as you like.

Molecular Modeling of the Sensitivities of Energetic Materials
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Publisher : Elsevier
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ISBN : 9780128231104
Pages : 265 pages
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Download or Read Online Molecular Modeling of the Sensitivities of Energetic Materials in PDF, Epub and Kindle

Molecular Modeling of the Sensitivities of Energetic Materials is an authoritative guide to this exciting field of research, providing practical guidelines for implementing predictive models and their application to the search for new compounds. Beginning with an introduction to experimental aspects, the book then explores relationships between sensitivity, molecular structure and crystal structure, before going on to discuss insights from numerical simulations. The book then highlights applications of these approaches to the design of new 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 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. Highlights a range of approaches for computational simulation and 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 is an authoritative guide to this exciting field of research, providing practical guidelines for implementing predictive models and their application to the search for new compounds. Beginning with an introduction to experimental aspects, the book then explores relationships between sensitivity, molecular structure

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