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Structure design and property adjustment of new cage rich-nitrogen pentazolyltetraazacubanes as potential high energy density compounds

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Defence Technology（防务技术） 2020年第3期16卷 705-711页

作者： Qiong wu Gao-jie Yan ze-wu zhang Wei-hua Zhu School of Materials Science and Engineering Nanjing Institute of Technology1 Hongjing RoadNanjing 211167China Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology 1 Hongjing RoadNanjing 211167China Institute for Computation in Molecular and Materials Science and Department of Chemistry Nanjing University of Science and TechnologyNanjing 210094China

In this study,based on two attractive energetic compounds pentazole(PZ) and tetraazacubane(TAC),a new family of high energy and high nitrogen compounds pentazolyltetraazacubanes were ***,a different number of NH2 or NO2 groups were introduced into the system to further adjust the *** structures,properties,and the structure-property relationship of designed molecules were investigated *** results showed that all nine designed compounds have extremely high heat of formation(HOF,1226-2734 kJ/mol),good density(1,73-1.88 g/cm3),high detonation velocity(8.30-9.35 km/s),high detonation pressure(29.8-39.7 GPa) and acceptable sensitivity(△V:41-87 A3).These properties could be effectively positive adjusted by replacing one or two PZ rings by NH2 or/and NO2 groups,especially for the energy and sensitivity performance,which were increased and decreased obviously,*** a result,two designed pentazolyltetraazacubanes were predicted to have higher energy and lower sensitivity than the famous high energy compound in use 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane,while two others have better co mbination property than 1,3,5-Trinitro-1,3,*** all,four new pentazolyltetraazacubanes with good combination performance were successfully designed by combining PZ with TAC,and the further property adjustment strategy of introducing a suitable amount of NH2/NO2 groups into the *** work may help develop new cage energetic compounds.

关键词： Pentazole Cubane High-nitrogen High-energy HEDCs

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Theoretical design of new bridge-ring insensitive high energy compounds by selected normal Diels-Alder reactions between NH_(2)-substituted oxazoles and NO_(2)/NF_(2)/NHNO_(2)-substituted ethylenes/acetylenes

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Defence Technology（防务技术） 2021年第5期17卷 1731-1739页

作者： Qiong wu Qin-nan Hu Ming-quan Li ze-wu zhang Wei-hua Zhu Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology School of Materials Science and EngineeringNanjing Institute of Technology1 Hongjing RoadNanjing211167China Institute for Computation in Molecular and Materials Science and Department of Chemistry Nanjing University of Science and TechnologyNanjing210094China

In this work,NH_(2)-substituted oxazoles and NO_(2)/NF_(2)/NHNO_(2)-substituted ethylenes/acetylenes were designed and used as dienes and dienophiles,respectively,in order to develop new bridge-ring insensitive high energy compounds through the Diels-Alder reaction between *** reaction type,reaction feasibility and performance of reaction products were investigated in detail *** results showed that dienes most possibly react with dienophiles through the HOMO-diene controlled normal Diels-Alder reaction at relatively low energy *** could react with the designed dienes much more easily than other dienophiles,and was employed to further design 29 new bridge-ring energetic *** to high heat of formation,density and oxygen balance,all designed bridge-ring energetic compounds have outstanding detonation performance,16 of them have higher energy than HMX(1,3,5,7-tetranitro-1,3,5,7-tetrazocine)and 2 others even possess comparative energy with the representative of high energy compounds CL-20(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane).The predicted average h50 value of these bridge-ring energetic compounds is 83 cm,showing their low impact *** NH2 groups could obviously impel the proceeding of Diels-Alder reactions,but would slightly decrease the energy and sensitivity *** all,the new designed bridge-ring compounds have both high energy and low sensitivity,and may be produced through Diels-Alder reactions at relatively low energy *** paper may be helpful for the theoretical design and experiment synthesis of new advanced insensitive high energy compounds.

关键词： Diels-Alder Energetic compounds Oxazole High energy Insensitive

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Synthesis of hexagonal barium ferrite nanoparticle by sol-gel method

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Rare Metals 2006年第z1期25卷 605-608页

作者： DONG Limin HAN Zhidong zhang Yaoming wu ze zhang Xianyou College of Materials Science and Engineering Harbin University of Science and TechnologyHarbin 150040China

M-type Ba hexaferrites were successfully synthesized by sol-gel *** synthesizing factors,such as pH value,citric acid/metal ion ratio,and dispersion agent were mainly *** and pure powders of BaFe_(12)O_(19)were optimally synthesized under the conditions of the pH value is 7 and citric acid/metal ion ratio is *** X-ray diffraction analysis demonstrates that no impurity is observed in the synthesized powders after presintered at 450℃and calcinated at 1100℃.SEM observations indicate that the size of the synthesized BaFe_(12)O_(19)powders is small and uniform *** can also be learned from SEM that the co-synthesizing sol-gel method can be in favor of the formation of finer particles.

关键词： sol-gel method M-type hexagonal ferrites preparation condition

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Effect of Sintering Conditions on Structure of Manganese Zinc Ferrite Powders

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Chinese Journal of Aeronautics 2006年第B12期19卷 179-182页

作者： DONG Li-min HAN Zhi-dong wu ze zhang Xian-you College of Materials Science and Engineering Harbin University of Science and Technology Harbin 150040 China

The structures of the Mn-Zn ferrites synthesized under different sintering conditions by the sol-gel method were investigated by the X-ray diffraction （XRD） and the scanning electron microscopy （SEM） with focus on two factors： the pre-sintering treatment and the calcining time. The results show that the sintering conditions have significant effects on the structures and the particle size of the Mn-Zn ferrites. Compared with the products without pre-sintering, those pre-sintered at 500℃ have a single phase and no diffraction peaks of Fe2O3 that could be found. The effects of the pre-sintering temperature on the structures of the ferrites were also studied. As a result, 500℃ proves to be the favorite in the pre-sintering treatment. The XRD patterns of the ferrites calcined at 1 200℃ for 6 h will present diffraction peaks of pure crystallization of spinel phase while those for 2 h or 4 h will show peaks of Fe2O3. The SEM also bears witness to well-grown grains of pure Mn-Zn ferrites if calcined for 6 hours.

关键词： manganese zinc ferrite spinel sol-gel sintering time

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Ammonia pyrolysis oxidation excited by nanosecond pulsed discharge:Global/fluid models hybrid solution

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Journal of Energy Chemistry 2025年第1期100卷 385-396页

作者： Mingming zhang Hanyu wu Qi Chen Jiaxin Yang Bonan Liu School of Mechanical Electronic and Control Engineering Beijing Jiaotong University China University of Petroleum

The kinetic characteristics of plasma-assisted oxidative pyrolysis of ammonia are studied by using the global/fluid models hybrid solution ***,the stable products of plasma-assisted oxidative pyrolysis of ammonia are *** results show that the consumption of NH3/O2and the production of N2/H2change linearly with the increase of voltage,which indicates the decoupling of nonequilibrium molecular excitation and oxidative pyrolysis of ammonia at low ***,the detailed reaction kinetics mechanism of ammonia oxidative pyrolysis stimulated by a nanosecond pulse voltage at low pressure and room temperature is *** on the reaction path analysis,the simplified mechanism is *** detailed and simplified mechanism simulation results are compared with experimental data to verify the accuracy of the simplified ***,based on the simplified mechanism,the fluid model of ammonia oxidative pyrolysis stimulated by the nanosecond pulse plasma is established to study the pre-sheath/sheath behavior and the resultant consumption and formation of key *** results show that the generation,development,and propagation of the pre-sheath have a great influence on the formation and consumption of *** consumption of NH3by the cathode pre-sheath is greater than that by the anode pre-sheath,but the opposite is true for OH and O（1S）.However,within the sheath,almost all reactions do not ***,by changing the parameters of nanosecond pulse power supply voltage,it is found that the electron number density,electron current density,and applied peak voltages are not the direct reasons for the structural changes of the sheath and ***,the discharge interval has little effect on the sheath structure and gas mixture *** research results of this paper not only help to understand the kinetic promotion of non-equilibrium excitation in the process of oxidative pyrolysis but also help to explore th

关键词： Nanosecond pulsed discharge Ammonia Oxidative pyrolysis Fluid model Global model

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A quantum-search-based multi-classifier for image recognition

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 21-31页

作者： Lu Liu Xingyu wu Lufan zhang Chuan Wang School of Artificial Intelligence Beijing Normal University Applied Optics Beijing Area Major Laboratory Beijing Normal University

The multi-class classification of images is a pivotal challenge within the realm of image processing. As the volume of visual data continues to expand, there is a burgeoning interest in harnessing the unique capabilities of quantum computation to augment the efficiency of classification tasks. However, many existing methods for training quantum image multi-classifiers parallel classical machine learning techniques, where the requisite circuit measurements increase linearly with the volume of training data. This work introduces a novel approach for training a quantum image multi-classifier based on the quantum search algorithm. We have meticulously conducted rigorous experiments on a handwritten digit dataset, a classic benchmark in the field. The results have been meticulously compared with previous works, and the comparative analysis not only validates the efficiency of our proposed approach, requiring only O(N/b) measurements during training, but also highlights a significant quadratic speedup of the algorithm.

关键词： quantum computation image recognition quantum search algorithm

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Depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 335-345页

作者： Feng zhang Chenyang zhang Linlin wu Wei Sun Hongliang zhang Jianhua Chen Yong Pei Songjiang Li Engineering Research Center of Ministry of Education for Carbon Emission Reduction in Metal Resource Exploitation and Utilization Hunan International Joint Research Center for Efficient and Clean Utilization of Critical Metal Mineral ResourcesSchool of Minerals Processing and BioengineeringCentral South UniversityChangsha 410083China State Key Laboratory of Mineral Processing Beijing General Research Institute of Mining&MetallurgyBeijing 100160China Hunan Provincial Key Laboratory of Micro&Nano Materials Interfaces Science College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China School of Resources Environment and MaterialsGuangxi UniversityNanning 530004China Department of Chemistry Xiangtan UniversityXiangtan 411105China China Railway Resource Group Co.Ltd Beijing 102300China

The depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite still lacked in-depth ***,the depression mechanism of sulfite ions on sphalerite and Pb^(2+)activated sphalerite in the flotation separation of galena from sphalerite was further systematically investigated with experiments and density functional theory(DFT)*** X-ray photoelectric spectroscopy(XPS)results,DFT calculation results,and frontier molecular orbital analysis indicated that sulfite ions were difficult to be adsorbed on sphalerite surface,suggesting that sulfite ions achieved depression effects on sphalerite through other non-adsorption ***,the oxygen content in the surface of sphalerite treated with sulfite ions in creased,which enhanced the hydrophilicity of the sphalerite and further increased the difference in hydrophilicity between sphalerite and ***,sulfite ions were chelated with lead ions to form PbSO_(3)in *** hydrophilic PbSO_(3)was more easily adsorbed on sphalerite than *** interaction between sulfite ions and lead ions could effectively inhibit the activation of *** addition the UV spectrum showed that after adding sulfite ions,the peak of perxanthate in the sphalerite treated xanthate solution was significantly stronger than that in the galena with xanthate solution,indicating that xanthate interacted more readily with sulfite ions and oxygen mo lecules within the sphalerite system,leading to the formation of ***,sulfite ions hardly depressed the flotation of ga lena and could promote the flotation of galena to some *** study deepened the understanding of the depression mechanism o sulfite ions on sphalerite and Pb^(2+)activated sphalerite.

关键词： sphalerite galena sulfite ion density functional theory depression mechanism

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TiAl合金中的氧扩散及恒温氧化研究现状

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宇航材料工艺 2017年第3期47卷 10-13,18页

作者：赵瑞峰吴泽恩吴珺张铁邦李金山西北工业大学凝固技术国家重点实验室西安710072

TiAl合金由于高比强度和优异的高温力学性能,是一种极具应用潜力的轻质高温结构材料,但存在脆性大、室温塑性差以及800℃以上抗氧化能力不足是其工程应用的最大障碍。本文对TiAl合金的恒温氧化行为、氧扩散以及氧化后力学性能变化规律... 详细信息

TiAl合金由于高比强度和优异的高温力学性能,是一种极具应用潜力的轻质高温结构材料,但存在脆性大、室温塑性差以及800℃以上抗氧化能力不足是其工程应用的最大障碍。本文对TiAl合金的恒温氧化行为、氧扩散以及氧化后力学性能变化规律进行了总结。基于服役环境条件下合金中的氧扩散规律及受控机制,对改善合金高温抗氧化性能的表面处理和合金化研究现状进行了归纳。分析了TiAl合金高温抗氧化行为研究及其控制技术在今后一段时期的发展趋势。

关键词： TiAl合金氧化氧扩散力学性能研究现状

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Glycolytic dysregulation in Alzheimer's disease:unveiling new avenues for understanding pathogenesis and improving therapy

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Neural Regeneration Research 2025年第8期20卷 2264-2278页

作者： You wu Lijie Yang Wanrong Jiang Xinyuan zhang Zhaohui Yao Department of Geriatrics Renmin Hospital of Wuhan UniversityWuhanHubei ProvinceChina

Alzheimer's disease poses a significant global health challenge owing to the progressive cognitive decline of patients and absence of curative *** current therapeutic strategies,primarily based on cholinesterase inhibitors and N-methyl-Daspartate receptor antagonists,offer limited symptomatic relief without halting disease progression,highlighting an urgent need for novel research directions that address the key mechanisms underlying Alzheimer's *** studies have provided insights into the critical role of glycolysis,a fundamental energy metabolism pathway in the brain,in the pathogenesis of Alzheimer's *** in glycolytic processes within neurons and glial cells,including microglia,astrocytes,and oligodendrocytes,have been identified as significant contributors to the pathological landscape of Alzheimer's *** changes impact neuronal health and function,thus offering promising targets for therapeutic *** purpose of this review is to consolidate current knowledge on the modifications in glycolysis associated with Alzheimer's disease and explore the mechanisms by which these abnormalities contribute to disease onset and *** focus on the pathways through which glycolytic dysfunction influences Alzheimer's disease pathology should provide insights into potential therapeutic targets and strategies that pave the way for groundbreaking treatments,emphasizing the importance of understanding metabolic processes in the quest for clarification and management of Alzheimer's disease.

关键词： Alzheimer’s disease glial cells glycolysis neuronal metabolism pathogenesis therapeutic targets

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Superhydrophobic and corrosion-resistant siloxane-modified MgAl-LDHs coatings on magnesium alloy prepared under mild conditions

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 450-463页

作者： Wenxi zhang zhangzelong Zhuo Dan Xu Liang wu Zhihui Xie Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province College of Chemistry and Chemical EngineeringChina West Normal UniversityNanchong 637002China College of Materials Science and Engineering/National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China

We have developed a superhydrophobic and corrosion-resistant LDH-W/PFDTMS composite coating on the surface of Mg *** composite comprised a tungstate-intercalated(LDH-W)underlayer that was grown at low temperature(relative to hydrothermal reaction conditions)under atmospheric pressure and an outer polysiloxane layer created from a solution containing perfluorodecyltrimethoxysilane(PFDTMS)using a simple immersion *** successful intercalation of tungstate into the LDH phase and the following formation of the polysiloxane layer were confirmed through X-ray diffraction(XRD),Fourier transform infrared(FTIR)spectroscopy,and X-ray photoelectron spectroscopy(XPS).The corrosion resistance of the LDH-W film,both before and after the PFDTMS modification,was evaluated using electrochemical impedance spectroscopy(EIS),Tafel curves,and immersion *** results showed that Mg coated with LDH-W/PFDTMS exhibited significantly enhanced corrosion protection compared to the unmodified LDHW film,with no apparent signs of corrosion after exposure to 3.5wt%NaCl solution for 15 ***,the LDH-W/PFDTMS coating demonstrated superior superhydrophobicity and self-cleaning properties against water and several common beverages,as confirmed by static contact angle and water-repellency *** results offer valuable insights into preparing superhydrophobic and corrosion-resistant LDH-based composite coatings on Mg alloy surfaces under relatively mild reaction conditions.

关键词： Mg alloy corrosion coating layered double hydroxide

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