tetrahedrane is most strained and the smallest cage compound. it attracts organic chemists because ofits unusual bonding nature and highly symmetrical structure. however, many efforts to isolate theparent tetrahedrane have been unsuccessful because of the high reactivity and very short lifetimecaused by the strain in this molecule. modeling of molecules for determination of structuralproperties...

tetrazole-containing compounds have been the subject of much recent research because of theirpotential as high energy density materials (hedms). in this work, theoretical studies on the 1htetrazolylderivatives of tetrahedrane were done at the density functional theory (dft) method withthe 6-31g(d) basis set without any symmetrical restrictions in order to find the structural andenergetically pr...

Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular dynamics simulations. The detonation process is initiated by an impulse, followed by the creation of a stable fast reactive shock wave. The terminal shock velocity is independent of the initiation conditions. Further analysis shows supersonic propagation decoupled from the dynamics of the decomp...

Based on a general theory of detonation waves with an embedded sonic locus that we have previously developed, we carry out asymptotic analysis of weakly curved slowly varying detonation waves and show that the theory predicts the phenomenon of detonation ignition and failure. The analysis is not restricted to near ChapmanJouguet detonation speeds and is capable of predicting quasi-steady, norma...

Peter Diakow Department of Mechanical and Materials Engineering, Queen’s University, Kingston, Canada Synopsis Dimethyl-ether (C2H6O) a common hydrocarbon is increasingly being used as a transportation fuel and as an aerosol propellant, very limited explosion safety data is available for this fuel. Experiments were performed to determine the detonation characteristics of dimethyl-ether air mixt...

High-performance explosives: Tris(triazolo)benzene was synthesized and converted to its trinitro and trichloro derivatives (see scheme; R=NO(2), Cl). The heats of formation of this "high-nitrogen" compounds were calculated and combined with experimentally determined densities to determine detonation pressures and velocities. They exhibit high density, good thermal stability, high heats of forma...

This paper is concerned with the investigation of the capability of Detonation sprayed Ni-Cr And Al2O3 13TiO2 coatings to improve the tribological and mechanical properties of grey cast iron. The present study describes and compares the mechanical and tribological properties of NiCr and Al2O3 13TiO2 D-Sprayed coatings deposited on two different substrates (GI250 and GIHC) Experiments using a tr...

Twomodels are proposed for rotating detonation engine performance. The first model is motivated bymodels of pulse detonation engine performance which are based on the pressure-time history within the detonation tube. The present work extends those ideas to treat rotating detonation engines with a control volume analysis that considers the forces within the combustion chamber. The key scaling pa...