A Theoretical Approach to Energetic Materials

A Theoretical Approach to Energetic Materials

This short paper reviews the current theoretical approach to understanding initiation and growth of reaction in energetic materials at Fort Halstead. Theoretical models at the molecular level are used to help develop algorithms at the macroscopic level which can then be used to model real systems. The study of initiation and growth of reaction in energetic materials has been a rapidly expanding...

Energetic materials: flexible approach pays off.

Despite rapid advances in the design and fabrication of miniaturized sensors and devices, their practical applications have been impeded by the lack of suitably miniscule sources of electrical power. Indeed, the generation and storage of electrical energy for mobile devices and systems is one of the most urgent challenges in science and engineering today. Microand nanoscale devices — such as ul...

Polymorphism in Energetic Materials

Polymorphism often occurs in energetic materials. Differences in the forms range from conformational changes in the molecule from one system to another, to conformational equivalents packing in different manners. These differences, whether drastic or subtle, can lead to substantial alterations in stability and performance. The authors recently reported on the crystal structures of five polymorp...

A Market-Basket Approach to Predict the Acute Aquatic Toxicity of Munitions and Energetic Materials

An ongoing challenge in chemical production, including the production of insensitive munitions and energetics, is the ability to make predictions about potential environmental hazards early in the process. To address this challenge, a quantitative structure activity relationship model was developed to predict acute fathead minnow toxicity of insensitive munitions and energetic materials. Comput...

A Theoretical Study of Wall Ironing for Anisotropic Workharden Materials