Novel RDX-Based Cage and Cage-Like Nitramines

Türker, Burhan Lemi
Bayar, Caglar Celik
Turhan, Hamza
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 formation (calculated via both PM3 and isodesmic methods) and Kamlet-Jacobs detonation performances and were found to be more sensitive than the reference compounds RDX and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).


Stable, self-ballasting field emission from zinc oxide nanowires grown on an array of vertically aligned carbon nanofibers
Li, C.; Zhang, Y.; Mann, M.; Hiralal, P.; Ünalan, Hüsnü Emrah; Lei, W.; Wang, B. P.; Chu, D. P.; Pribat, D.; Amaratunga, G. A. J.; Milne, W. I. (AIP Publishing, 2010-04-05)
A structure composed of zinc oxide nanowires (ZNWs) grown hydrothermally on an array of vertically aligned carbon nanofibers (CNFs) was fabricated and its field emission properties determined and compared with bare CNF arrays. The combination produced a macroscopic turn-on field of 1.2 V/mu m which was found to be the lowest reported from ZNWs deposited on a two-dimensional substrate and much less than the equivalent CNFs array (5.2 V/mu m). Crucially, field emission was found to be much more stable at high...
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) ...
NTO-Picryl Constitutional Isomers-A DFT Study
Türker, Burhan Lemi; Bayar, Caglar Celik (Informa UK Limited, 2012-01-01)
The quantum chemical properties and the detonation performance of some new explosives, 5-nitro-4-picryl-2,4-dihydro-3H-1,2,4-triazol-3-one (class A) and 5-nitro-2picryl-2,4-dihydro-3H-1,2,4-triazol-3-one (class B), and their constitutional isomers have been investigated theoretically using the density functional theory (DFT) 6-31G(d,p) method.
Electric dipole moments of charged leptons and lepton flavor violating interactions in the general two Higgs doublet model
Iltan, EO (American Physical Society (APS), 2001-07-01)
We calculate the electric dipole moment of the electron using the experimental result of the muon electric dipole moment and upper limit of the BR(mu-->e gamma) in the framework of the general two Higgs doubler model. Our prediction is 10(-32) e cm, which lies in the experimental current limits. Further, we obtain constraints for the Yukawa couplings )over bar>(D)(N,taue) and )over bar>(D)(N,tau mu). Finally, we present an expression which connects the BR(tau-->mu gamma) and the electric dipole moment of th...
Angular analysis of the decay B+ -> K+mu(+)mu(-) in proton-proton collisions at root s=8 TeV
Sirunyan, A. M.; et. al. (American Physical Society (APS), 2018-12-01)
The angular distribution of the flavor-changing neutral current decay B+ -> K+mu(+)mu(-) is studied in proton-proton collisions at a center-of-mass energy of 8 TeV. The analysis is based on data collected with the CMS detector at the LHC, corresponding to an integrated luminosity of 20.5 fb(-1). The forward-backward asymmetry A(FB) of the dimuon system and the contribution F-H from the pseudoscalar, scalar, and tensor amplitudes to the decay width are measured as a function of the dimuon mass squared. The m...
Citation Formats
B. L. Türker, C. C. Bayar, and H. Turhan, “Novel RDX-Based Cage and Cage-Like Nitramines,” JOURNAL OF ENERGETIC MATERIALS, pp. 287–300, 2013, Accessed: 00, 2020. [Online]. Available: