Atomic-Level Simulations of Energetic Materials: Methods and Applications

Energetic materials are substances or mixtures that react chemically to release the energy required for their intended application. They are commonly used in explosives, propellants, and pyrotechnics. Given the nature of these materials, the use of simulations has grown significantly, particularly in cases where reliable data collection is difficult (or impossible) due to extreme states or short time scales. This book covers the state-of-the-art simulation techniques available for the study and design of energetic materials (used in the creation of explosives and propellants). It also discusses how to assess the accuracy and precision of simulation results. Essential for researchers in industry and government specializing in energetic materials.