Crystal Packing of Low-Sensitivity and High-Energy Explosives

2014 ◽  
Vol 14 (9) ◽  
pp. 4703-4713 ◽  
Author(s):  
Yu Ma ◽  
Anbang Zhang ◽  
Chenghua Zhang ◽  
Daojian Jiang ◽  
Yuanqiang Zhu ◽  
...  
Keyword(s):  
Crystal Packing ◽  
High Energy ◽  
Low Sensitivity

scholarly journals Computational Design of High Energy RDX-Based Derivatives: Property Prediction, Intermolecular Interactions, and Decomposition Mechanisms

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7199
Author(s):  
Li Tang ◽  
Weihua Zhu
Keyword(s):  
Intermolecular Interactions ◽  
Computational Design ◽  
High Energy ◽  
High Energy Density ◽  
Ab Initio Molecular Dynamics ◽  
Detonation Properties ◽  
Cage Compounds ◽  
High Energy Density Compounds ◽  
Dynamics Simulations ◽  
Low Sensitivity

A series of new high-energy insensitive compounds were designed based on 1,3,5-trinitro-1,3,5-triazinane (RDX) skeleton through incorporating -N(NO2)-CH2-N(NO2)-, -N(NH2)-, -N(NO2)-, and -O- linkages. Then, their electronic structures, heats of formation, detonation properties, and impact sensitivities were analyzed and predicted using DFT. The types of intermolecular interactions between their bimolecular assemble were analyzed. The thermal decomposition of one compound with excellent performance was studied through ab initio molecular dynamics simulations. All the designed compounds exhibit excellent detonation properties superior to 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), and lower impact sensitivity than CL-20. Thus, they may be viewed as promising candidates for high energy density compounds. Overall, our design strategy that the construction of bicyclic or cage compounds based on the RDX framework through incorporating the intermolecular linkages is very beneficial for developing novel energetic compounds with excellent detonation performance and low sensitivity.

New concept for the design of zero-hydrogen energetic materials with high energy and low sensitivity: achieving a good balance among parent compounds, nitro groups, and N-oxides

2017 ◽  
Vol 95 (5) ◽  
pp. 505-511 ◽  
Author(s):  
Qiong Wu ◽  
Linghua Tan ◽  
Zusheng Hang ◽  
Weihua Zhu
Keyword(s):  
Energetic Materials ◽  
Density Functional ◽  
Energetic Material ◽  
Parent Compound ◽  
High Energy ◽  
Design Concept ◽  
New Novel ◽  
Energetic Compound ◽  
The Density Functional Theory ◽  
Low Sensitivity

A new powerful zero-hydrogen energetic compound DNDOBTT (2,7-dinitro-4N,9N-dioxide-bis[1,2,4]-triazolo)[1,5-b:1′,5′e][1,2,4,5] tetrazine) was produced by a new design concept of achieving a balance among the parent compound, nitro groups, and N-oxides. Its structure and properties was studied by the density functional theory. The breaking of N–N bond in the tetrazine ring is an initial decomposition step of DNDOBTT, and the energy barrier was predicted to be 175 kJ·mol−1. DNDOBTT has comparable detonation performance with some CHNO energetic compounds, including the most powerful ONC (octanitrocubane), whereas its sensitivity and thermal stability are obviously lower and better than those of ONC, respectively, indicating that DNDOBTT has both the high energy and reduced sensitivity and may be a valuable candidate for experiments. Therefore, a new novel energetic material DNDOBTT with good overall performance has been obtained successfully by the new design concept, and it may be applied to design and develop other novel improved zero-hydrogen energetic materials.

DEVELOPMENT OF SUPERCONDUCTING Nb/Al DETECTORS

2000 ◽  
Vol 14 (25n27) ◽  
pp. 3122-3127
Author(s):  
M. GRECO ◽  
E. MENICHETTI ◽  
G. RINAUDO ◽  
S. MAGGI ◽  
V. LACQUANITI
Keyword(s):  
Radiation Damage ◽  
Energy Resolution ◽  
High Energy ◽  
High Energy Resolution ◽  
Low Sensitivity ◽  
Better Than ◽  
Microstrip Detectors

We have fabricated superconducting Nb/Al microstrip detectors. The low sensitivity to radiation damage and aging and the high energy resolution make these devices very attractive. The samples are fabricated by superposing a 2 mm × 2 mm Al area on a 5 μm wide, 100 μm long Nb strip. The thickness of each film is between 50 and 200 nm. We present the results both of steady and dynamical tests on Nb/Al bilayers, after irradiation with a 241 Am alpha-source (T = 5.47 MeV ). These devices can operate both in the on-off and in the auto-recovery regimes. We show that the performance of Nb/Al bilayers is better than single Nb strip devices.

scholarly journals Crystal structure of the high-energy-density material guanylurea dipicrylamide

2014 ◽  
Vol 70 (8) ◽  
pp. 111-114 ◽  
Author(s):  
Raik Deblitz ◽  
Cristian G. Hrib ◽  
Liane Hilfert ◽  
Frank T. Edelmann
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Title Compound ◽  
Crystal Packing ◽  
High Energy ◽  
High Energy Density ◽  
Metathesis Reaction ◽  
Compound A ◽  
High Energy Density Material ◽  
Secondary Explosive

The title compound, 1-carbamoylguanidinium bis(2,4,6-trinitrophenyl)amide [H2NC(=O)NHC(NH2)2]+[N{C6H2(NO2)3-2,4,6}2]−(= guanylurea dipicrylamide), was prepared as dark-red block-like crystals in 70% yield by salt-metathesis reaction between guanylurea sulfate and sodium dipicrylamide. In the solid state, the new compound builds up an array of mutually linked guanylurea cations and dipicrylamide anions. The crystal packing is dominated by an extensive network of N—H...O hydrogen bonds, resulting in a high density of 1.795 Mg m−3, which makes the title compound a potential secondary explosive.

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