Review of the molecular and crystal correlations on sensitivities of energetic materials

G Li, C Zhang - Journal of Hazardous Materials, 2020 - Elsevier
Highly efficient design on the levels of molecule and crystal, as well as formulation, is highly
desired for accelerating the development of energetic materials (EMs). Sensitivity is one of …

Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: a brief review

QL Yan, S Zeman - International Journal of Quantum Chemistry, 2013 - Wiley Online Library
Over the past 20 years, a number of scientists have conducted numerous fundamental
investigations based on quantum chemistry theory into various mechanistic processes that …

Sensitivity of energetic materials: Theoretical relationships to detonation performance and molecular structure

D Mathieu - Industrial & Engineering Chemistry Research, 2017 - ACS Publications
It has been known for decades that high performances for explosives (as characterized by
detonation velocity D, detonation pressure P, or Gurney energy EG) are connected with high …

Predicting the reactivity of energetic materials: an ab initio multi-phonon approach

AAL Michalchuk, M Trestman, S Rudić… - Journal of Materials …, 2019 - pubs.rsc.org
The ease with which an energetic material (explosives, propellants, and pyrotechnics) can
be initiated is a critical parameter to assess their safety and application. Impact sensitivity …

Preparation and characterization of a novel cocrystal explosive

JP Shen, XH Duan, QP Luo, Y Zhou, Q Bao… - Crystal Growth & …, 2011 - ACS Publications
On the basis of our previous Molecular Dynamics (MD) Simulation (Wei, CX; Huang, H.;
Duan, XH; Pei CH Propell. Explos. Pyrot. 2009, 67, 2822− 2826), a cocrystal explosive …

Dependence of particle morphology and size on the mechanical sensitivity and thermal stability of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine

X Song, Y Wang, C An, X Guo, F Li - Journal of hazardous materials, 2008 - Elsevier
Three kinds of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX) samples with
spherical (β-phase), needle (γ-phase) and polyhedral (β-phase) shapes were fabricated by …

Sensitivities of high energy compounds

S Zeman - High energy density materials, 2007 - Springer
The article presents a survey of the development trends in studies of sensitivity (initiation
reactivity) of energetic materials (EMs) over the last nine years, focusing mainly on impact …

Predicting the impact sensitivity of a polymorphic high explosive: the curious case of FOX-7

AAL Michalchuk, S Rudić, CR Pulham… - Chemical …, 2021 - pubs.rsc.org
The impact sensitivity (IS) of FOX-7 polymorphs is predicted by phonon up-pumping to
decrease as layers of FOX-7 molecules flatten. Experimental validation proved anomalous …

Acid‐Base Interactions in Energetic Materials: I. The Hard and Soft Acids and Bases (HSAB) Principle–Insights to Reactivity and Sensitivity of Energetic Materials

EC Koch - … , Pyrotechnics: An International Journal Dealing with …, 2005 - Wiley Online Library
The chemistry of energetic materials can be described applying acid‐base reaction
formalism. Addressing the HSAB concept, the number of electrons transferred, ΔN, in an …

Models for predicting impact sensitivity of energetic materials based on the trigger linkage hypothesis and Arrhenius kinetics

TL Jensen, JF Moxnes, E Unneberg… - Journal of molecular …, 2020 - Springer
In order to predict the impact sensitivity of high explosives, we designed and evaluated
several models based on the trigger linkage hypothesis and the Arrhenius equation. To this …