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Benchmark calculations and error cancelations for bond dissociation enthalpies of X-NO_(2)

Defence Technology（防务技术） 2023年第4期22卷 144-155页

作者： Jian Liu Xudong He Ying Xiong Fude Nie Chaoyang Zhang Institute of Chemical Materials China Academy of Engineering PhysicsP.O.Box 919-311China

Safety plays an important role in determining the applicability of energetic compounds,and the bond dissociation enthalpy(BDE)of the“trigger bond”X-NO_(2) provides useful information to evaluate various safety *** and rapid calculation of the BDE of X-NO_(2) is of great significance to perform the high-throughput design of energetic compounds,which becomes an increasingly popular means of materials *** conduct a benchmark BDE calculation for 44 X-NO_(2) samples extracted from the iBond database,with the accuracies of 55 quantum chemistry calculation levels evaluated by the experimentally measured *** four levels have the global mean-absolute deviation(MAD)less than 10 kJ/mol,but no calculation level can achieve that all the local MADs of each category less than 10 kJ/*** propose a simple correction strategy for the original calculation deviations,and apply it to 30 calculation levels screened out through a series of accuracy assessments and obtain the corrected MAD<6 kJ/mol in some *** define a normalized time-cost(NTC)to evaluate the time-cost of each calculation level,and confirm that PBE0-D3/6-31G^(**)(MAD=6.4 kJ/mol,NTC?0.8)works the best for most cases,followed by M062X/6-31g^(**),M062X/6-311g^(**)andɷB97XD/6-311g^(**),based on an insight into the accuracy-cost *** present work provides an accurate and fast solution for calculating XNO_(2) BDE via quantum chemical methods,and is expected to be beneficial to enhance the safety prediction efficiency of energetic compounds.

关键词： Complex waveform scaling Analytical blast modeling Hopkinson-Cranz scaled distance

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维普期刊数据库

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Mitigation effects on the reflected overpressure of blast shock with water surrounding an explosive in a confined space

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Defence Technology（防务技术） 2021年第3期17卷 1071-1080页

作者： Hai-bin Xu Long-kui Chen De-zhi Zhang Fang-ping Zhang Zhao-wu Shen Wen-xiang Liu Sheng-hong Huang CAS Key Laboratory of Mechanical Behavior and Design of Materials University of Science and Technology of ChinaHefei230026China Northwest Institute of Nuclear Technology Xi’an710024ShanxiChina

The mitigation of blast shock with water has broad application prospects. Understanding the mitigation effects on the reflected overpressure of the explosion shock with water surrounding an explosive in a confined space is of great significance for military explosives safety applications. To estimate the effects of the parameters on the reflected overpressure of blasted shock wave, a series of experiments were carried out in confined containers with spherical explosives immersed in a certain thickness of water,and numerical simulations were conducted to explore the corresponding mechanisms. The results reveal that the reflected overpressure is abnormally aggravated at a small scaled distance. This aggravation is due to the high impulse of the bulk accelerated water shell converted from the explosion. With increasing scaled distance, the energy will be gradually dissipated. The mitigation effects will appear with the dispersed water phase front impacting at a larger scaled distance, except in the case of a dense water phase state. A critical scaled distance range of 0.7-0.8 m/kg^(1/3) for effective mitigation was found. It is suggested that the scaled distance of space walls should be larger than the critical value for a certain water-to-explosive weight ratio range(5-20).

关键词： Shock Water mitigation scaled distance Water-to-explosive weight ratio Confined container

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Response of masonry systems against blast loading

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Defence Technology（防务技术） 2021年第4期17卷 1326-1337页

作者： Eid Badshah Amjad Naseer Mohammad Ashraf Tauseef Ahmad Department of Civil Engineering UET PeshawarPakistan Electrical Engineering Department CECOS University of IT&Emerging Sciences PeshawarPakistan

In this paper eight successive experimental blast tests with an increasing TNT equivalent charge weights ranging from 0.56 kg to 17.78 kg were conducted on unreinforced,ferrocemented overlay masonry and confined masonry *** pressure-time history caused by the blast was recorded by pressure sensors installed on the test *** resulting damage pattern was observed during each *** zones in the three systems of masonry were *** distances for different damage levels in the three masonry systems were experimentally *** results provide a basis for determining the response of each masonry system against blast ***,efficiency of ferrocemented overlay masonry and confined masonry was found established in mitigation against blast loads.

关键词： Peak over pressure Pressure sensor Composition-B TNT scaled distance Stand-off distance Charge shape Confined Unreinforced Ferrocemented

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维普期刊数据库

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EXPERIMENTAL ANALYSIS OF A SAND TAMPED EXPLOSION VESSEL

EXPERIMENTAL ANALYSIS OF A SAND TAMPED EXPLOSION VESSEL

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The 7th International Conference on Shock and Impact Loads on Structures

作者： Yunxiao Cui~*,Northwest Institute of Nuclear Technology,China Yongle Hu,Northwest Institute of Nuclear Technology,China Wanpeng Wang,Northwest Institute of Nuclear Technology,China Fengchao Wang,Northwest Institute of Nuclear Technology,China

Influence of tamped sand on blast wave in an explosion containment vessel has been studied in this *** buffer material in explosion containment vessel can attenuate shock wave and peak pressure,refrain the strain growth and self-oscillation of explosion containment ***,due to the non-linear dissipation mechanism and heterogeneous properties of buffer material-sand,the attenuation exhibits some abnormal behavior that is the enhancement of shock *** order to analyze this problem,a series of experiments were carried out. Both air and sand were filled in the experiments for evaluation of the mitigation *** the experiments of given sand,it is concluded that the attenuation can be achieved if scaled distance is larger than 0.4m/*** this condition,enhancement of blast loading can be *** the purpose of estimation on energy absorption of sand,the compression curve of sand is given by experiment,which also can be useful for numerical calculations.

关键词： mechanics of explosive attenuation shock wave tamped sand explosion containment vessel scaled distance

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Experimental Analysis of a Sand Tamped Explosion Containment Vessel

Experimental Analysis of a Sand Tamped Explosion Containment...

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第八届全国爆炸力学学术会议

作者： CUI Yun-Xiao HU Yong-Le WANG Wan-Peng WANG Feng-Chao Northwest Institute of Nuclear Technology Xi ’an 710024 Shanxi China

Influence on blast wave by employing tamped sand in an explosion containment vessel has been studied in this *** buffer material in explosion containment vessel can attenuate shock wave and peak pressure,refrain the strain growth and self-oscillation of explosion containment ***,because of the non-linear dissipation and heterogeneous properties of buffer material - sand,the attenuation exhibits some abnormal behavior that is the enhancement of shock *** analyze this problem,a series of experiments were carried *** air and sand were filled in the experiments for evaluation of the mitigation *** the experiments of given sand,it is concluded that the attenuation can be achieved if scaled distance is larger than 0.4m/kg Under this condition,enhancement of blast loading can be *** estimation on energy absorption of sand,the compressional curve of sand is given by experiment,which also can be useful for numerical calculations.

关键词： mechanics of explosive attenuation shock wave tamped sand explosion containment vessel scaled distance

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