Theoretical studies of a series of azaoxaisowurtzitane cage compounds with high explosive performance and low sensitivity

2017 ◽  
Vol 1114 ◽  
pp. 77-86 ◽  
Author(s):  
Yong Pan ◽  
Weihua Zhu ◽  
Heming Xiao
Keyword(s):  
High Explosive ◽  
Theoretical Studies ◽  
Cage Compounds ◽  
Explosive Performance ◽  
Low Sensitivity

Theoretical studies on the propulsive and explosive performance of strained polycyclic cage compounds

2017 ◽  
Vol 41 (3) ◽  
pp. 920-930 ◽  
Author(s):  
Lovely Mallick ◽  
Sohan Lal ◽  
Sasidharakurup Reshmi ◽  
Irishi N. N. Namboothiri ◽  
Arindrajit Chowdhury ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Modelling ◽  
Theoretical Studies ◽  
Cage Compounds ◽  
Explosive Performance ◽  
Polycyclic Cage Compounds ◽  
Carbon Based

Carbon-based cage compounds could be better candidates as propellant ingredients than the currently used ones as per molecular modellingab initiocalculations.

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.

Study and Development of the Components of Gas Generator Compositions Based on the Ammonium Nitrate to Improve Blasting Operations Safety

2021 ◽  
pp. 47-52
Author(s):  
D.A. Bayseytov ◽  
◽  
M.I. Tulepov ◽  
Zh.A. Amir ◽  
A.Ye. Orazbayev ◽  
...  
Keyword(s):  
Ammonium Nitrate ◽  
Aluminum Powder ◽  
High Explosive ◽  
Low Cost ◽  
Combustion Products ◽  
Gas Generator ◽  
Toxic Gases ◽  
Carbon Black Powder ◽  
Urgent Task ◽  
Low Sensitivity

The article is devoted to the study and development of the components of gas generator compositions based on the ammonium nitrate to improve safety of blasting operations. This is primarily due to the low cost of ammonium nitrate, low sensitivity to mechanical and detonation effects and a significantly lower content of harmful compounds in the combustion products compared to the analogues. PA-4 aluminum powder was used as fuel, carbon black powder — as a gas-forming agent. The effect was studied concerning different amounts of aluminum powder on the combustion characteristics of a gas generator composition based on the ammonium nitrate. Calculated and experimental data showed that it is unreasonable to introduce more than 5 % of aluminum into the composition. According to the results of the conducted study, a gas generator composition based on the ammonium nitrate was developed to increase blasting operations efficiency and safety. Laboratory and polygon studies confirmed the efficiency and safety of using gas generator compositions at the destruction of stone. Destruction of the stone occurred without scattering of individual fragments, formation, and propagation of an air shock wave. Thus, the urgent task is to ensure blasting operations safety using gas generator compositions, which will allow to eliminate the formation of harmful, toxic gases and the high explosive effect.

Preparation, crystal structure, thermal behavior, and theoretical studies of N,N′-dinitro-4, 4′-azo-bis(1,2,4-triazolone) (DNZTO)

2016 ◽  
Vol 71 (3) ◽  
pp. 197-204 ◽  
Author(s):  
Jiaping Zhu ◽  
Shaohua Jin ◽  
Yuehai Yu ◽  
Li Wan ◽  
Lijie Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Laser Desorption ◽  
Theoretical Studies ◽  
Laser Desorption Ionization ◽  
X Ray ◽  
Desorption Ionization ◽  
Flight Mass Spectrometry ◽  
Explosive Performance ◽  
Matrix Assisted Laser ◽  
Matrix Assisted Laser Desorption

AbstractN,N′-Dinitro-4,4′-azo-bis(1,2,4-triazolone) (DNZTO) is synthesized by the reaction of 4,4′-azo-bistriazolone (ZTO) with a mixture of nitric acid and acetic anhydride. The product was fully characterized by IR, NMR, matrix-assisted laser desorption/ionization with time-of-flight mass spectrometry, and single-crystal X-ray analysis. The explosive performance including detonation pressures (P), velocities (D) of DNZTO, and heats of formation were predicted using gaussian 09 at B3LYP/6-311+G**.

Theoretical studies on the formation mechanism and explosive performance of nitro-substituted 1,3,5-triazines

2010 ◽  
pp. NA-NA ◽  
Author(s):  
Kiyull Yang ◽  
Young Hee Park ◽  
Soo Gyeong Cho ◽  
Hai Whang Lee ◽  
Chan Kyung Kim ◽  
...  
Keyword(s):  
Formation Mechanism ◽  
Theoretical Studies ◽  
Explosive Performance

scholarly journals INFLUENCE OF THE TYPE OF DONOR CHARGES ON THE DETONATION RATE OF LOW-SENSITIVITY EXPLOSIVES

2021 ◽  
Vol 13 (1) ◽  
pp. 112-118
Author(s):  
Vladimir BELIN ◽  
◽  
Zdravka MOLLOVA ◽  
Keyword(s):  
Water Resistance ◽  
High Explosive ◽  
Emulsion Explosive ◽  
Detonation Rate ◽  
Main Charge ◽  
Velocity Of Detonation ◽  
The One ◽  
Low Sensitivity ◽  
Constrained Conditions ◽  
Better Than

The article discusses the creation, testing and implementation of new donor charges designed to initiate low-sensitivity explosives. The cast booster donor charges are made entirely of explosives obtained from the disposal of unnecessary ammunition – TNT, RDX and TEN. The donor charges differ from the mass-produced ones, and have a mass of 150 to 900 g. They also have high explosive characteristics: velocity of detonation from 7200 to 7500 m/s, density of 1.6 g/cm3, excellent water resistance and strength. Their initiating ability on low-sensitivity explosives is significantly better than the one of TNT presses. The velocity of detonation of the main charge of a low-sensitivity emulsion explosive initiated with a cast booster is up to 700 m/s higher than when initiated with a TNT presses. It is especially important when building objects in the constrained conditions, at development of mountain territories for decrease in action of shock air waves and elimination of possibility of mountain collapses and landslides In article advantage of use of cast intermediate detonators on safety of explosive works is proved at development of mountain territories. The new design allows an increase in the security of initiating the charges in the boreholes, which allows them to be initiated with two detonators simultaneously.

Design of Sensitive Photographic Materials for the High-Voltage Electron Microscope

1975 ◽  
Vol 33 ◽  
pp. 156-157
Author(s):  
Murray Vernon King ◽  
Donald F. Parsons
Keyword(s):  
Electron Microscope ◽  
Radiation Damage ◽  
High Voltage ◽  
Radiation Sensitivity ◽  
Fast Electrons ◽  
Voltage Electron ◽  
High Voltage Electron Microscope ◽  
High Voltage Electron ◽  
Biological Studies ◽  
Low Sensitivity

Effective application of the high-voltage electron microscope to a wide variety of biological studies has been restricted by the radiation sensitivity of biological systems. The problem of radiation damage has been recognized as a serious factor influencing the amount of information attainable from biological specimens in electron microscopy at conventional voltages around 100 kV. The problem proves to be even more severe at higher voltages around 1 MV. In this range, the problem is the relatively low sensitivity of the existing recording media, which entails inordinately long exposures that give rise to severe radiation damage. This low sensitivity arises from the small linear energy transfer for fast electrons. Few developable grains are created in the emulsion per electron, while most of the energy of the electrons is wasted in the film base.

Effect of energy filtering on micro-diffraction in the SEM

1994 ◽  
Vol 52 ◽  
pp. 604-605
Author(s):  
James F. Mancuso ◽  
Leo A. Fama ◽  
William B. Maxwell ◽  
Jerry L. Lehman ◽  
Hasso Weiland ◽  
...  
Keyword(s):  
Detection Efficiency ◽  
Ccd Camera ◽  
High Gain ◽  
Microchannel Plate ◽  
Electrostatic Energy ◽  
Energy Filtering ◽  
Electron Channelling ◽  
Low Energy Electrons ◽  
Low Sensitivity ◽  
Angular Field Of View

Micro-diffraction based crystallography is essential to the design and development of many classes of ‘crafted materials’. Although the scanning electron microscope can provide crystallographic information with high spatial resolution, its current utility is severely limited by the low sensitivity of existing diffraction techniques (ref: Dingley). Previously, Joy showed that energy filtering increased contrast and pattern visibility in electron channelling. This present paper discribes the effect of energy filtering on EBSP sensitivity and backscattered SEM imaging.The EBSP detector consisted of an electron energy filter, a microchannel plate detector, a phosphor screen, optical coupler, and a slow scan CCD camera. The electrostatic energy filter used in this experiment was constructed as a cone with 5 coaxial electrodes. The angular field-of-view of the filter was approximately 38°. The microchannel plate, which was the initial sensing component, had high gain and had 50% to 80% detection efficiency for the low energy electrons that passed through the retarding field filter.

Hit and False-Alarm Rates of Selected ABR Indices in Differentiating Cochlear Disorders From Acoustic Tumors

1996 ◽  
Vol 5 (1) ◽  
pp. 90-96 ◽  
Author(s):  
Frank E. Musiek ◽  
Cynthia A. McCormick ◽  
Raymond M. Hurley
Keyword(s):  
False Alarm ◽  
Amplitude Ratio ◽  
High Specificity ◽  
Auditory Brainstem ◽  
Latency Difference ◽  
Cochlear Pathology ◽  
Brainstem Response ◽  
Absolute Latency ◽  
Two Indices ◽  
Low Sensitivity

We performed a retrospective study of 26 patients with acoustic tumors and 26 patients with otologically diagnosed cochlear pathology to determine the sensitivity (hit rate), specificity (false-alarm rate), and efficiency of six auditory brainstem response indices. In addition, a utility value was determined for each of these six indices. The I–V interwave interval, the interaural latency difference, and the absolute latency of wave V provided the highest hit rates, the best A’ values and good utility. The V/I amplitude ratio index provided high specificity but low sensitivity scores. In regard to sensitivity and specificity, using the combination of two indices provided little overall improvement over the best one-index measures.

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