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Molecular Modeling of the Sensitivities of Energetic Materials, Volume 22 introduces experimental aspects, explores the relationships between sensitivity, molecular structure… Read more
SOCIAL SCIENCES & HUMANITIES
Up to 30% off Social Sciences & Humanities titles!
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.
Part I. Experimental aspects
1. Overview of energetic materials
2. Characterizing responses to insults from energetic materials
Part II. Relationships with molecular structure
Part III. Relationships involving the crystal structure
Part IV. Insight from numerical simulations
Part V. Applications to the design of new materials
DM