Structure-Impact Sensitivity Relation of Certain Explosive Compounds

Türker, Burhan Lemi
A theoretical model is developed within the Huckel molecular orbital theory for the structure-impact sensitivity relation of some explosive compounds. The model considers some topological properties of a given molecule as well as the number of certain substituents. Also, a regression equation has been obtained for polynitrobenzenes having a high degree of significance. In light of the equations developed, effects of factors on impact sensitivity are discussed.


Novel RDX-Based Cage and Cage-Like Nitramines
Türker, Burhan Lemi; Bayar, Caglar Celik; Turhan, Hamza (Informa UK Limited, 2013-10-01)
1,3,5-Trinitroperhydro-1,3,5-triazine (RDX)-based cage and cage-like nitramines in which two RDX molecules are linked to each other via three and two carbon atoms, respectively, have been investigated computationally using density functional theory (DFT) at a B3LYP/6-31G(d,p) theoretical level. The study focused on finding out how the quantum chemical and detonation properties of RDX change if two RDX molecules come together and form these structures. Both considered nitramines exhibited higher heats of for...
Bismuth doping of graphene
Akturk, Olcay Uezengi; Tomak, Mehmet (AIP Publishing, 2010-02-22)
In this work, we have studied bismuth as a dopant in graphene using density functional theory (DFT). We find that bismuth is weakly physisorbed within DFT. On the other hand, we show that bismuth n-dopes graphene when it is substitutional. We observe that local density approximation results give higher substitutional energy than that of generalized gradient approximation. The electronic structure of graphene is changed when Bi is substitutional.
Conformal properties of charges in scalar-tensor gravities
Deser, S.; Tekin, Bayram (IOP Publishing, 2006-12-21)
We study the behaviour under conformal transformations of energy and other charges in generic scalar - tensor models. This enables us to conclude that the ADM/AD masses are invariant under field redefinitions mixing metric and scalar despite the permitted slow asymptotic falloff of massless scalars.
Hybrid mesons in the context of the relativistic equation
Zakout, I; Sever, Ramazan (Springer Science and Business Media LLC, 1997-08-01)
The flux tube model of hybrid mesons is studied in the context of the relativistic equation in the adiabatic approximation. The moment of inertia of the rigid-rod flux tube is considered in the kinetic part of the interaction. The nonrelativistic and relativistic one scalar bead flux tube is integrated numerically and compared with the adiabatic flux tube small oscillation approximation. The relativistic scalar bead picture suggests that the lowest gluonic excitation of a massive gluon is color octet q (q) ...
Drift Time Measurement in the ATLAS Liquid Argon Electromagnetic Calorimeter using Cosmic Muons
Aad, G.; et. al. (Springer Science and Business Media LLC, 2010-12-01)
The ionization signals in the liquid argon of the ATLAS electromagnetic calorimeter are studied in detail using cosmic muons. In particular, the drift time of the ionization electrons is measured and used to assess the intrinsic uniformity of the calorimeter gaps and estimate its impact on the constant term of the energy resolution. The drift times of electrons in the cells of the second layer of the calorimeter are uniform at the level of 1.3% in the barrel and 2.8% in the endcaps. This leads to an estimat...
Citation Formats
B. L. Türker, “Structure-Impact Sensitivity Relation of Certain Explosive Compounds,” JOURNAL OF ENERGETIC MATERIALS, pp. 94–109, 2009, Accessed: 00, 2020. [Online]. Available: