Molecular Modeling of the Sensitivities of Energetic Materials
Didier Mathieu
Apr 2022 · Theoretical and Computational Chemistry Book 22 · Elsevier
Ebook
486
Pages
family_home
Eligible
info
reportRatings and reviews aren’t verified Learn More
About this ebook
Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molecular structure and crystal structure, discusses insights from numerical simulations, and 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, this book is an authoritative guide to an exciting field of research that warrants a computer-aided approach for the investigation and design of safe and powerful explosives or propellants. Much recent effort has been put into modeling sensitivities, with most work focusing on impact sensitivity and leading to a lot of experimental data in this area. Models must therefore be developed to allow evaluation of significant properties from the structure of constitutive molecules. - Highlights a range of approaches for computational simulation and the importance of combining them to accurately understand or estimate different parameters - Provides an overview of experimental findings and knowledge in a quick and accessible format - Presents guidelines to implement sensitivity models using open-source python-related software, thus supporting easy implementation of flexible models and allowing fast assessment of hypotheses
About the author
Didier Mathieu has been researching the molecular modelling of energetic materials at the Commissariat a L'Energie Atomique since 1994. After completing his studies in Physics Engineering at the Institut Polytechnique de Grenoble, France, he stayed on to complete a Masters in Condensed Matter Physics and a PhD in Physical Sciences, before moving on to a French Habilitation to supervise research at the University of Tours. He has published over 50 research papers relating to the fields of polymer physics and molecular modelling of energetic materials, and has extensive practical experience in the field.
Rate this ebook
Tell us what you think.
Reading information
Smartphones and tablets
Install the Google Play Books app for Android and iPad/iPhone. It syncs automatically with your account and allows you to read online or offline wherever you are.
Laptops and computers
You can listen to audiobooks purchased on Google Play using your computer's web browser.
eReaders and other devices
To read on e-ink devices like Kobo eReaders, you'll need to download a file and transfer it to your device. Follow the detailed Help Center instructions to transfer the files to supported eReaders.
