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Shock Response in Cage-like Polynitrocubane High-Energy-Density Materials: Competition between Strain Energy and Structural Symmetry

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Energetic Materials Frontiers 2025年

作者： Qing-guan Song Li Meng Sheng-li Jiang Lei Zhang Ze-yao Mo Institute of Applied Physics and Computational Mathematics Beijing 100088 China CAEP Software Center for High Performance Numerical Simulation Beijing 100088 China Institute of Chemical Materials China Academy of Engineering Physics Mianyang 621999 China School of Materials Science & Engineering Beijing Institute of Technology Beijing 100081 China State Key Laboratory of Explosion Science and Safety Protection Beijing Institute of Technology Beijing 100081 China

The cage-like structures provide a unique combination of strain energy for enhanced energy storage and hyperstatic constraints to stabilize the system, positioning them as promising pioneers in advancing high-energy-density materials (HEDMs). However, the shock response of cage-like HEDMs is highly complex and exhibits significant variability, posing a grand challenge in the underlying mechanisms. This study reveals that the shock response of cage-like HEDMs is regulated by the interplay between strain energy and structural symmetry, and introduces a physical model to quantitatively describe how they determine shock stability. The investigated systems include a comprehensive series of cage-like polynitrocubane HEDMs, with each carbon atom in the backbone progressively functionalized with nitro groups. Ab initio molecular dynamics (AIMD) simulations were employed to simulate dynamic and kinetic responses at shock velocities ranging from 8 km·s -1 to 11 km·s -1 , with validation provided by consistent Hugoniot curves that align with reported experimental data. Nitro groups at the carbon-based cage structure, recognized as explosion functional groups, were found to substantially increase the system's strain energy. However, an increasing number of nitro groups also intensified electrostatic repulsion among oxygen lone pairs, which weakens structural integrity and renders the material more susceptible to disassembly under shock conditions. Conversely, structural symmetry—including both the cage-like molecular conformation and spatial packing within the crystal lattice—was found to mitigate these destabilizing effects, effectively balancing the trade-off between energy storage and structural stability. Based on these findings, we propose a physical model that captures the essential factors driving shock initiation in cage-like polynitrocubane HEDMs, offering new insights to inform the design and application of novel advanced HEDMs.

关键词： shock stability cage-like high-energy-density materials strain energy structural symmetry strain tensor

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Multibeam antenna pointing measurement based on communication beams for communication satellites

Multibeam antenna pointing measurement based on communicatio...

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62nd International Astronautical Congress 2011, IAC 2011

作者： Chen, Dong Liu, Naijin Ma, Jing China Academy of Space Technology Institute of Telecommunication Satellite Beijing China Second Academy of China Aerospace Science and Industry Corp. National Key Laboratory of Science and Technology on Missile Control System Simulation Beijing China

ISBN: (纸本)9781618398055

With the technical development of the communication satellites and the wide application of multibeam antennas, antenna pointing control problem is becoming increasingly important. The traditional pointing measurement utilizes several beams, which occupies lots of satellite resources. In this paper, a maximum likelihood estimation of the antenna pointing based on communication beams is proposed, which reduce the antenna pointing measurement requirements on satellite. The estimation performance is analyzed which gives the pointing measurement precision and error distribution. The pointing error is composed of calibration error and estimation error, while the pointing error follows normal distribution. simulation results show that the precision improvement slows down due to the calibration error when SNR is greater than 20dB, and the worst precision is better than 0.1°(3δ). Moreover, the performance is largely affected by channel stability when the uncertainty is greater than 1dB(σ) in our simulation. Considering the effects on pointing measurement accuracy of the channel stability, an improved robust method is given in our discussion. It utilizes another beacon beam to calibrate the pointing measurement results, which can eliminate the performance descent due to the channel uncertainty. simulation shows that this improved method is insensitive to the channel stability and can provide a stable pointing measurement performance similar to the traditional method. Copyright©2011 by China Academy of space technology (CAST). Published by the IAF, with permission and released to the IAF to publish in all forms.

关键词： Calibration

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Application of Physical Optics for Scattering Calculation in MMWSS

Application of Physical Optics for Scattering Calculation in...

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International Symposium on Antennas Propagation and EM Theory

作者： H. Zhao L. X. Guo J. Ma School of Science Xidian University Science and Technology on Space Simulation Laboratory Beijing Simulation Center

ISBN: (纸本)9781467317993

In this paper, the physical optical (PO) method is employed to calculate the electromagnetic field distribution on the seeker antenna when the missile approaches the target. Compared with the result calculated in the millimeter wave simulation system (MMWSS), it can be equivalent to one or more scattering points when the target is located in the far-field of antenna.

关键词： physical optics missiles ANTENNA antennae Targets field distribution far-field broadcasting Scattering seekers Equivalent simulation systems millimeter wave

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Pilot-scale experiments on multilevel contact oxidation treatment of poultry farm wastewater using saran lock carriers under different operation model

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Journal of Environmental sciences 2019年第3期31卷 336-345页

作者： Tianlong Zheng Peng Li Xiaoyu Ma Xiaohong Sun Chuanfu Wu Qunhui Wang Ming Gao State Key Joint Laboratory of Environment Simulation and Pollution Control Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Department of Environmental Engineering University of Science and Technology Beijing Xinkai Water Environmental Investment Co.Ltd Beijing Agro-Biotechnology Research Center Beijing Academy of Agriculture and Forestry Sciences

A pilot-scale multilevel contact oxidation reactors system, coupled with saran lock carriers,was applied for the treatment of poultry farm wastewater. The removal efficiencies of CODcr, ammonia, and the total nitrogen as well as the elimination performance of CODcr and total nitrogen along the three-level contact oxidation tanks under six designed operational models were investigated. Based on the performance of the nitrogen removal of the saran lock carriers and the distribution of anoxic–aerobic interspace under the suitable operation model, the mechanism of nitrogen removal of the system was also explored. The results revealed that the intermittent aeration under parallel model is the most suitable operation model, while the removal efficiencies of CODcr, ammonia, and the total nitrogen were 86.86%, 84.04%, and 80.96%, respectively. The effluent concentration of CODcr,ammonia, and the total nitrogen were 55.6 mg/L, 8.3 mg/L, and 12.0 mg/L, which satisfy both the discharge standard of pollutants for livestock and poultry breeding industry(GB18596–2001) and the first grade of the integrated wastewater discharge standard(GB 8978–1996). Moreover, the mechanism for the nitrogen removal should be attributed to the plenty of anoxic–aerobic interspaces of the biofilm and the three-dimensional spiral structure of the saran lock carriers, where the oxygen-deficient distribution was suitable for the happening of the simultaneous nitrification and denitrification process. Therefore, the multilevel contact oxidation tanks system is an effective pathway for the treatment of the poultry farm wastewater on the strength of a suitable operation model and novel carriers.

关键词： Multilevel contact oxidation tanks Nitrogen removal Mechanism Operation model Poultry farm wastewater Saran lock carriers

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Preparation of hollow-fiber nanofiltration membranes of high performance for effective removal of PFOA and high resistance to BSA fouling

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Journal of Environmental sciences 2022年第12期34卷 14-24页

作者： Wenjing Tang Yunyi Meng Bin Yang Dongyu He Yan Li Bojun Li Zheming Shi Changwei Zhao College of Resources and Environmental Sciences China Agricultural UniversityBeijing 100193China Key Laboratory of Drinking Water Science and Technology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China The Fourth Construction CO.LTD of China Electronics System Engineering Tianjin 300130China State Key Laboratory of Water Environment Simulation School of EnvironmentBeijing Normal UniversityBeijing 100875China

Nanofiltration(NF)process has become one of the most promising technologies to remove micro-organic combined water *** a NF membrane material with efficient separation for perfluorooctanoic acid(PFOA)combined pollution is highly desired,this manuscript targets this unmet need *** this work,hydrophilic SiO_(2)nanoparticles with various contents blended with carboxylic multiwalled carbon nanotube were used to modify poly(m-phenylene isophthal amide)(SiO_(2)/CMWCNT/PMIA)hollow fiber NF *** modified membrane with 0.1 wt%SiO_(2)doping exhibits way better fouling resistance with irreversible fouling ratio decreased dramatically from 18.7%to 2.3%,and the recovery rate of water flux increases significantly from 81.2%to 97.7%.The separation experiment results had confirmed that the modified membrane could improve the rejection from 97.2%to 98.6%for perfluorooctanoic acid(PFOA)and its combined pollution with bovine serum albumin(BSA).It is clear that this reported SiO_(2)/CMWCNT/PMIA hollow fiber NF membrane potentially could be applied in water *** research also provides a theoretical basis for efficiently removal of PFOA and its combined pollution by NF membrane.

关键词： Nanofiltration SiO_(2)nanoparticles Perfluorooctanoic acid Combined pollution Water treatment

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Review of electrochemical degradation of phenolic compounds

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International Journal of Minerals,Metallurgy and Materials 2021年第9期28卷 1413-1428页

作者： You Xue Xi Hu Qian Sun Hong-yang Wang Hai-long Wang Xin-mei Hou Beijing Advanced Innovation Center for Materials Genome Engineering Collaborative Innovation Center of Steel TechnologyUniversity of Science and Technology BeijingBeijing 100083China State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 100012China State Environmental Protection Key Laboratory of Environmental Planning and Policy Simulation Chinese Academy of Environmental PlanningBeijing 100012China School of Materials Science Engineering Zhengzhou UniversityZhengzhou 450001China

Phenolic compounds are widely present in domestic and industrial sewage and have serious environmental *** oxidation(EO)is one of the most promising methods for sewage degradation because of its high efficiency,environmental compatibility,and *** this work,we present an in-depth overview of the mechanism and factors affecting the degradation of phenolic compounds by *** particular,the effects of treatment of phenolic compounds with different anode materials are discussed in *** non-active anode shows higher degradation efficiency,less intermediate accumulation,and lower energy consumption than the active *** combined with other treatment methods(biological,photo,and Fenton)presents advantages,such as low energy consumption and high degradation ***-while,the remaining drawbacks of the EO process in the phenolic compound treatment system have been ***,future re-search directions are put forward to improve the feasibility of the practical application of EO technology.

关键词： electrochemical oxidation phenolic compounds degradation mechanism anode material

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Agent-based simulation method of complex system

Agent-based simulation method of complex system

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2013 International Conference on Vehicle and Mechanical Engineering and Information technology, VMEIT 2013

作者： Lai, Jia Zhe Liao, Shan Liang Science and Technology on Complex Electronic System Simulation Laboratory The Academy of Equipment Beijing 101416 China Company of Postgraduate Management The Academy of Equipment Beijing 101416 China

ISBN: (纸本)9783037858202

In this paper a method is introduced to simulate the Complex system by ABMS. space system can be considered a complex system that is composed of many satellites,which need a powerful and flexible method to study, MAS structure of space system is gived by analyzing its hiberarchy, by studying the navigation agent, a typical agent structure is gived. introduce the RepastHPC agent platform using MPI, orbit forecasting method is studying, Finally, we realize the MAS simulation and run it on parallel cluster. © (2013) Trans Tech Publications, Switzerland.

关键词： Multi agent systems

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Operational Effectiveness Evaluation of space-based Information system based on Improved AHP-BPNN Model 5

Operational Effectiveness Evaluation of Space-based Informat...

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5th IEEE Information technology, Networking, Electronic and Automation Control Conference, ITNEC 2021

作者： Han, Chi Xiong, Wei Jian, Ping Aerospace Information Institute Aerospace Engineering University Beijing China Science and Technology on Complex Electronic System Simulation Laboratory Aerospace Engineering University Beijing China

ISBN: (纸本)9781665415989

In view of the characteristics of complex influencing factors and coupling interaction of various combat capabilities in the effectiveness evaluation of space- based information system (SIS), the effectiveness evaluation method of SIS based on improved AHP-BP neural network was proposed, which was mapped to multi-attribute decision making problem. The weight of experts was determined from the objective perspective to improve the traditional AHP and calculate the relevant influencing factors among experts. The comprehensive evaluation value is obtained according to the evaluation matrix, and the comprehensive weight of the index is obtained by the weighted average of the expert weight and the index weight. The evaluation data obtained from improved AHP and combat simulation data are used as prior samples to train BPNN to obtain the effectiveness evaluation model. Finally, sample data were obtained through MATLAB and STK co-simulation to evaluate the operational effectiveness of SIS and verify the effectiveness of the model. © 2021 IEEE.

关键词： MATLAB

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An Intelligent simulation Result Validation Method Based on Variational Autoencoder 23rd

An Intelligent Simulation Result Validation Method Based on ...

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23rd Asia simulation Conference, AsiaSim 2024

作者： Yang, Fan Ma, Ping Li, Wei Tao, Chao Yang, Ming Zhang, Jianchao Cheng, Huichuan Control and Simulation Center Harbin Institute of Technology Harbin150080 China National Key Laboratory of Complex System Modeling and Simulation Harbin150080 China Chinese Aeroengine Research Institute Beijing101304 China

ISBN: (纸本)9789819772247

Validation for complex system simulation faces the challenges of a large amount of validation data, which comes in the form of extensive samples and prolonged time series. To address this issue, this paper proposes an intelligent simulation result validation method based on Variational Autoencoder (VAE), achieving model validation through intelligent feature extraction and feature consistency metrics. Initially, we present the overall validation framework, which consists of feature extraction and simulation result validation, and detail the steps of the validation process. Subsequently, the principles and procedures of the feature extraction and simulation result validation methods are thoroughly discussed. The feature extraction is achieved by learning the distribution parameters of the latent space using a VAE model. Feature differences across various aspects are measured by three distance metrics and are further converted into simulation credibility. Finally, the effectiveness and superiority of this method are demonstrated through a case study on validating a drone delivery model. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Digital elevation model

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An Intelligent Ranking Evaluation Method of simulation Models Based on Graph Neural Network 15th

An Intelligent Ranking Evaluation Method of Simulation Model...

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15th EAI International Conference on simulation Tools and Techniques, SIMUTools 2023

作者： Yang, Fan Ma, Ping Zhang, Jianchao Cheng, Huichuan Li, Wei Yang, Ming Control and Simulation Center Harbin Institute of Technology Harbin150080 China National Key Laboratory of Complex System Modeling and Simulation Harbin150080 China Chinese Aeroengine Research Institute Beijing101304 China

ISBN: (纸本)9783031575228

To validate the alternative simulation models and select the most credible one when the models have multivariate and correlated outputs, an intelligent ranking evaluation method of simulation models based on Graph Neural Network (GNN) is proposed. The process of ranking evaluation is divided into three parts: graph structure conversion for evaluation data, feature extraction based on Graph Representation Learning (GRL) and ranking evaluation based on feature distance. A graph structure modeling method is presented to provide the pre-define graph structure for further GRL primarily. Next the interdependencies and dynamic evolutionary patterns among variables are captured by GNN so that the graph representations of evaluation data can be obtained. Then ranking evaluation is achieved by similarity measurement of the graph representations. In the end, the effectiveness of the proposed method on feature extraction of evaluation data and simulation models ranking is illustrated through an application example on a prediction model for aerodynamic parameters of a certain flight vehicle. © ICST Institute for Computer sciences, Social Informatics and Telecommunications Engineering 2024.

关键词： Feature extraction

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