title: Impact sensitivities of energetic materials: Exploring the limitations of a model based only on structural formulas.
abstract: Using a comprehensive set of drop weight impact test data (h50) newly compiled from literature for 308 materials, a recent approach to predict impact sensitivities of nitro compounds is generalized to most explosive substances of interest. Compared to previous ones, this procedure is more thoroughly validated and exhibits a good predictive value. Furthermore, it yields new insight into the physical mechanisms involved, explaining for instance the unexpected desensitization of some oxygen-deficient triazoles upon nitration.
authors.affiliation: CEA, DAM, Le Ripault, F-37260 Monts, France. Electronic address: didier.mathieu@cea.fr.
authors.forename: Didier
authors.initials: D
authors.lastname: Mathieu
authors.affiliation: CEA, DAM, Le Ripault, F-37260 Monts, France.
authors.forename: Thibaud
authors.initials: T
authors.lastname: Alaime
mesh_terms: D053834:Explosive Agents / Q000737:chemistry*; D055595:Mechanical Phenomena; D008956:Models, Chemical; D015394:Molecular Structure; D017672:Nitrogen Compounds / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D053834:Explosive Agents; D017672:Nitrogen Compounds
keywords: Applicability domain; Impact sensitivity; Quantitative structure–property relationships; Reactive hazards; Semiempirical modelling