Molecular Modeling of the Sensitivities of Energetic Materials

Volume 22 of Molecular Modeling of the Sensitivities of Energetic Materials explores the relationships between sensitivity, molecular structure, and crystal structure, discusses insights from numerical simulations, and highlights applications to the design of new materials. It is an authoritative guide to an exciting field of research that warrants a computer-aided approach.

Format: Paperback / softback
Length: 265 pages
Publication date: 01 March 2022
Publisher: Elsevier Science Publishing Co Inc

Molecular Modeling of the Sensitivities of Energetic Materials,Volume 22 delves into experimental techniques, investigates the interplay between sensitivity, molecular structure, and crystal structure, discusses insights from numerical simulations, and showcases applications of these approaches in designing new materials. This comprehensive book offers practical guidelines for implementing predictive models and their utilization in the search for novel compounds, serving as an authoritative guide to an exhilarating field of research that necessitates a computer-aided approach for the investigation and design of safe and potent explosives or propellants.

In recent years, there has been a significant emphasis on modeling sensitivities, with a particular focus on impact sensitivity, resulting in a substantial accumulation of experimental data in this domain. Consequently, models must be developed to enable the evaluation of crucial properties from the structure of constitutive molecules.

The volume begins by introducing experimental aspects of molecular modeling, providing insights into the methodologies employed to simulate the behavior of energetic materials. It then explores the relationships between sensitivity, molecular structure, and crystal structure, shedding light on the factors that influence the explosive properties of materials.

Numerical simulations play a pivotal role in understanding the complex dynamics and behavior of energetic materials. The book discusses the insights gained from these simulations, highlighting their ability to predict sensitivities and other important properties. It also discusses the challenges associated with numerical modeling and the need for advanced computational techniques to achieve accurate results.

The applications of molecular modeling to the design of new materials are emphasized throughout the volume. It discusses how these approaches can be used to optimize the structure of energetic materials, enhance their performance, and reduce their sensitivity. Examples of successful applications in the development of new explosives, propellants, and pyrotechnics are provided, showcasing the potential of molecular modeling in this field.

Furthermore, the book offers practical guidelines for implementing predictive models and their application to the search for new compounds. It discusses the importance of selecting appropriate modeling techniques, validating the models, and interpreting the results. It also provides insights into the use of machine learning and artificial intelligence in enhancing the accuracy and efficiency of predictive models.

In conclusion, Molecular Modeling of the Sensitivities of Energetic Materials,Volume 22 is an essential resource for researchers, scientists, and engineers interested in the field of energetic materials. It provides a comprehensive overview of experimental techniques, numerical simulations, and applications of molecular modeling in designing new materials. With its practical guidelines and authoritative insights, this book serves as a valuable guide for implementing predictive models and advancing the search for safe and powerful explosives or propellants.

Dimension: 235 x 191 (mm)
ISBN-13: 9780128229712