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Molecular simulation study of the stabilization process of NEPE propellant

Defence Technology（防务技术） 2023年第7期25卷 220-230页

作者： Ling-ze Kong Ke-hai Dong Ai-min Jiang Chuan-lu yang yan-hui tang Yun-dong Xiao Department of Aircraft Engineering Naval Aviation UniversityYantai264001China School of Physics and Optoelectronic Engineering Ludong UniversityYantai264001China

In this reported study, the density functional theory(DFT) was used at the(U)B3LYP/6-311G(d,p) level to investigate the stabilization process of the nitrate ester plasticized polyether propellant(NEPE). Molecular simulations were conducted of the reaction that generates NO_(2), the autocatalytic and aging reaction triggered by the NO_(2), and the nitrogen dioxide absorption reaction of the stabilizers during the propellent stabilization process. These simulations were derived using the transition-state theory(TST)and variational transition-state theory(VTST). The simulation results suggested that the stabilization of the NEPE propellant consisted of three stages. First, heat and NO_(2) were generated during the denitrification reaction of nitroglycerine(NG) and 1,2,4-butanetriol trinitrate(BTTN) in the NEPE ***, nitroso products were generated by the reactions of N-Methyl-4-nitroaniline(MNA) and 2-nitrodiphenylamine(2NDPA) with NO_(2). Third, the stabilizers were exhausted and the autocatalytic reaction of NG and BTTN and the aging reaction of polyethylene glycol(PEG) were triggered by the heat and NO_(2)generated in the first stage. By comparing the energy barriers of the various reactions, it was found that the NO_(2)generated from the denitrification reaction significantly reduced the reaction energy barrier to 105.56-126.32 kJ/mol, also increased the reaction rate constant, and decreased the thermal stability and energetic properties of the NEPE propellant. In addition, the NO_(2)also weakened the mechanical properties of the NEPE propellant by attacking the-CH2groups and the O atoms in the PEG molecular chain. The energy barriers of the reactions of MNA and 2NDPA with NO_(2)(94.61-133.61 k J/mol) were lower than those of the autocatalytic and decomposition reactions of NG, BTTN, and the aging reactions of PEG(160.30-279.46 kJ/mol). This indicated that, by eliminating NO_(2), the stabilizer in the NEPE propellant can effectively prevent NO_(2)from

关键词： NEPE propellant Stabilizer Stabilization process Molecular simulation DFT VTST

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Nanoscale Reorganization of Glutamate Receptors Underlies Synaptic Plasticity and Pathology

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Neuroscience Bulletin 2024年第6期40卷 840-844页

作者： Jia-hui Chen Ai-hui tang Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Brain Function and DiseaseNeurodegenerative Disorder Research Center and Biomedical Sciences and Health Laboratory of Anhui ProvinceUniversity of Science and Technology of ChinaHefei230027China Institute of Artificial Intelligence Hefei Comprehensive National Science CenterHefei230088China

Excitatory synapses serve as the primary sites for information transmission between neurons in the *** work over the past decades has identified and revealed multiple compositions and functions of the synaptic proteome in the postsynaptic density(PSD),including receptors,scaffold proteins,and signaling molecules,which work together to ensure stable and effective synaptic transmission.

关键词： Receptor scale Glutamate

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Influence of powder oxidation on powder properties and formability in H13 hot-work steels processed by electron beam melting

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Journal of Iron and Steel Research(International) 2024年第4期31卷 924-932页

作者： Wei Liu yan Wang Li-xiong Han Ying-kang Wei hui-ping tang Shi-feng Liu School of Metallurgical Engineering Xi'an University of Architecture and TechnologyXi'an 710055ShaanxiChina School of Engineering Zhejiang University City CollegeHangzhou 310015ZhejiangChina

The oxygen content of metal powder is decisive for the recyclability of *** research on the effect of oxygen content on powder properties and material formability has practical significance for economical production with additive manufacturing while preventing the waste of ***,we deliberately oxidized the powder by baking at high temperature to increase the oxygen content in the powder and gave the calculation method of the oxygen content in the powder oxidation *** majority of oxygen element was found in the oxide particles in the powder and the oxide flm on the powder surface,which did affect the flowability of the *** is worth noting that the increase in the oxygen content does not change the phase of H13 steel,but it can promote the molten pool flow and obtain a smoother *** increase in the oxygen content in the powder is not the decisive factor for the formability and defects of the printed *** is the combined effect of the powder deformation,the increase in the oxygen content,and the impurity pollution after repeated use,which leads to the limitation of repeated utilization of the powder.

关键词： Additive manufacturing Electron beam melting H13 steel powder-Powder oxidation

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Model-driven path planning for robotic plasma cutting of branch pipe with single Y-groove based on pipe-rotating scheme

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Advances in Manufacturing 2024年第1期12卷 94-107页

作者： yan Liu Qiu tang Xin-Cheng Tian School of Control Science and Engineering Shandong UniversityJinan250061People’s Republic of China Engineering Research Center of Intelligent Unmanned System Ministry of EducationJinan250061People’s Republic of China School of Mechanical and Electronic Engineering Shandong Jianzhu UniversityJinan250101People’s Republic of China

The automatic cutting of intersecting pipes is a challenging task in *** improved automation and accuracy,this paper proposes a model-driven path planning approach for the robotic plasma cutting of a branch pipe with a single ***,it summarizes the intersection forms and introduces a dual-pipe intersection *** on this model,the moving three-plane structure(a description unit of the geometric characteristics of the intersecting curve)is constructed,and a geometric model of the branch pipe with a single Y-groove is ***,a novel mathematical model for plasma radius and taper compensation is ***,the compensation model and groove model are integrated by establishing movable ***,to prevent collisions between the plasma torch and workpiece,the torch height is planned and a branch pipe-rotating scheme is *** the established models and moving frames,the planned path description of cutting robot is provided in this novel *** accuracy of the proposed method is verified by simulations and robotic cutting experiments.

关键词： Automatic groove cutting of intersecting pipes Model-driven robot path planning Plasma beam radius and taper compensation

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Role of outdoor trees on pedestrian wind and thermal conditions around a pre-education building for sustainable energy management

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Journal of Central South University 2024年第6期31卷 2039-2053页

作者： LI Xiao-jie tang hui-li Zhengzhou Preschool Education College Zhengzhou 450000China

Finding sustainable energy resources is essential to face the increasing energy *** are an important part of ancient architecture but are becoming rare in urban *** can control and tune the pedestrian-level wind velocity and thermal *** this study,a numerical investigation is employed to assess the role of trees planted in the windward direction of the building complex on the thermal and pedestrian wind velocity conditions around/inside a pre-education building located in the center of the *** to the previous studies(which considered only outside buildings),this work considers the effects of trees on microclimate change both inside/outside *** of different parameters including the leaf area density and number of trees,number of rows,far-field velocity magnitude,and thermal condition around the main building are *** results show that the flow velocity in the spacing between the first-row buildings is reduced by 30%-40% when the one-row trees with 2 m height are planted 15 m farther than the ***,two rows of trees are more effective in higher velocities and reduce the maximum velocity by about 50%.The investigation shows that trees also could reduce the temperature by about 1℃around the building.

关键词： sustainable management energy trees urban area thermal condition building

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Recent progresses in thermal treatment of β-Ga_(2)O_(3) single crystals and devices

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International Journal of Minerals,Metallurgy and Materials 2024年第7期31卷 1659-1677页

作者： Yuchao yan Zhu Jin hui Zhang Deren yang State Key Laboratory of Silicon and Advanced Semiconductor Materials and School of Materials Science and Engineering Zhejiang UniversityHangzhou 310027China Zhejiang Provincial Key Laboratory of Power Semiconductor Materials and Devices ZJU-Hangzhou Global Scientific and Technological Innovation CenterHangzhou 311200China

In recent years,ultra-wide bandgap β-Ga_(2)O_(3) has emerged as a fascinating semiconductor material due to its great potential in power and photoelectric *** semiconductor industrial,thermal treatment has been widely utilized as a convenient and effective approach for substrate property modulation and device ***,a thorough summary of β-Ga_(2)O_(3) substrates and devices behaviors after high-temperature treatment should be *** this review,we present the recent advances in modulating properties of β-Ga_(2)O_(3) substrates by thermal treatment,which include three major applications:(ⅰ)tuning surface electrical properties,(ⅱ)modifying surface morphology,and(ⅲ)oxidating ***,regulating electrical contacts and handling with radiation damage and ion implantation have also been discussed in device *** each category,universal annealing conditions were speculated to figure out the corresponding problems,and some unsolved questions were proposed *** review could construct a systematic thermal treatment strategy for various purposes and applications of β-Ga_(2)O_(3).

关键词： β-gallium oxide thermal treatment substrates devices

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Robust Interval State Estimation for Distribution Systems Considering Pseudo-measurement Interval Prediction

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Journal of Modern Power Systems and Clean Energy 2024年第1期12卷 179-188页

作者： Xu Zhang Wei yan Meiqing Huo hui Li the School of Electrical Engineering Chongqing UniversityChongqing 400044China

Interval state estimation(ISE)can estimate state intervals of power systems according to confidence intervals of predicted pseudo-measurements,thereby analyzing the impact of uncertain pseudo-measurements on ***,predicted pseudo-measurements have prediction errors,and their confidence intervals do not necessarily contain the truth values,leading to estimation biases of the *** solve this problem,this paper proposes a pseudo-measurement interval prediction framework based on the Gaussian process regression(GPR)model,thereby improving the prediction accuracy of pseudo-measurement confidence ***,a weight assignment strategy for improving the robustness of weighted least squares(WLS)ISE is *** strategy quantifies the deviation between the pseudo-measurement intervals and their estimated intervals and assigns smaller weights to the pseudo-measurement intervals with larger deviations,thereby improving the estimation accuracy and robustness of the *** paper adopts the data from the supervisory control and data acquisition(SCADA)system of the New York Independent System Operator(NYISO).It verifies the advantages of the GPR method for pseudo-measurement interval prediction by comparing it with the quantile regression and neural network *** addition,this paper demonstrates the effectiveness of the proposed weight assignment strategy through the IEEE 14-bus ***,the differences in the estimation accuracy and the bad data identification between the robust interval state estimation and deterministic state estimation are discussed.

关键词： Interval state estimation interval analysis pseudo-measurement Gaussian process regression(GPR)

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Critical Role of Ethylene-Propylene Block Copolymer in Impact Polypropylene Copolymer

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Chinese Journal of Polymer Science 2024年第3期42卷 344-351,I0007页

作者： Yu-hui tang Na Zhang Wei Bao Wei Jiang Yuan Lin Zhao-hui Su State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

Ethylene-propylene block copolymer(EbP) is a vital component in impact polypropylene copolymer(IPC), yet its distribution in the multiphase composite material and how it influences the phase structure and the mechanical properties are not well understood. In this work,four IPCs were investigated by atomic force microscopy-infrared(AFM-IR) to assess the phase compositions in situ, based on which in conjunction with the chain microstructure information obtained ex situ the distributions of the copolymer components were derived for each alloy. For the IPCs whose EbP comprises long P and long E segments, the EbP fraction was found to phase separate from the rubber and the PP matrix to form the cores of the disperse particles with the E-P segmented copolymer(EsP). In contrast, in the IPC with EbP composed of long P and short E segments, the EbP fraction formed an outer shell for the rubber particles with the cores comprising the EsP alone, and this IPC, containing a lower E comonomer content than its counterpart, exhibited both better impact resistance and higher flexural modulus. These results clarify how the chain structure of EbP governs the phase morphology in IPC, which in turn impacts the properties of the composite material.

关键词： Impact polypropylene copolymers AFM-IR Ethylene-propylene block copolymers Core-shell rubber particles

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Relationships between Terrain Features and Forecasting Errors of Surface Wind Speeds in a Mesoscale Numerical Weather Prediction Model

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Advances in Atmospheric Sciences 2024年第6期41卷 1161-1170页

作者： Wenbo XUE hui YU Shengming tang Wei HUANG Chinese Academy of Meteorological Sciences Beijing 100081China University of Chinese Academy of Sciences Beijing 101408China Shanghai Typhoon Institute/CMA Shanghai 200030China Key Laboratory of Numerical Modeling for Tropical Cyclone/CMA Shanghai 200030China

Numerical weather prediction(NWP)models have always presented large forecasting errors of surface wind speeds over regions with complex *** this study,surface wind forecasts from an operational NWP model,the SMS-WARR(Shanghai Meteorological Service-WRF ADAS Rapid Refresh System),are analyzed to quantitatively reveal the relationships between the forecasted surface wind speed errors and terrain features,with the intent of providing clues to better apply the NWP model to complex terrain *** terrain features are described by three parameters:the standard deviation of the model grid-scale orography,terrain height error of the model,and slope *** results show that the forecast bias has a unimodal distribution with a change in the standard deviation of *** minimum ME(the mean value of bias)is 1.2 m s^(-1) when the standard deviation is between 60 and 70 m.A positive correlation exists between bias and terrain height error,with the ME increasing by 10%−30%for every 200 m increase in terrain height *** ME decreases by 65.6%when slope angle increases from(0.5°−1.5°)to larger than 3.5°for uphill winds but increases by 35.4%when the absolute value of slope angle increases from(0.5°−1.5°)to(2.5°−3.5°)for downhill *** sensitivity experiments are carried out with a model output statistical(MOS)calibration model for surface wind speeds and ME(RMSE)has been reduced by 90%(30%)by introducing terrain parameters,demonstrating the value of this study.

关键词： surface wind speed terrain features error analysis MOS calibration model

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Geochronological and geochemical constraints on the petrogenesis and geodynamic process of Hemler,Vlinder,and Il'ichev seamount lavas in NW Pacific

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Science China Earth Sciences 2024年第6期67卷 1856-1871页

作者： Xun WEI yan ZHANG Xuefa SHI hui ZHANG Key Laboratory of Marine Geology and Metallogeny First Institute of OceanographyMinistry of Natural ResourcesQingdao 266061China Laboratory for Marine Geology Qingdao Marine Science and Technology CenterQingdao 266237China Shandong Key Laboratory of Deep Sea Mineral Resources Development(Preparatory) Qingdao 266061China

Oceanic intraplate volcanoes with linear age progressions are usually accepted to be derived from melting of an upwelling mantle *** seamount groups in NW Pacific,however,show complex age-distance relationships that are difficult to explain using the classic“mantle plume hypothesis”,and thus their origins are *** this study,we present ^(40)Ar-^(39)Ar age,geochemical,and Sr-Nd-Pb-Hf isotopic data of lavas from Hemler,Vlinder,and Il’ichev seamounts in NW Pacific,to elucidate their petrogenesis and geodynamic *** lavas from Hemler,Vlinder,and Il’ichev seamounts are classified as alkali basalt,basanite/nephelinite,and *** with Mg O>8 wt.%exhibit high contents of CaO,FeO^(T),and TiO_(2),similar to the composition of melts formed from reaction between carbonated eclogite-derived melts and fertile *** lavas have elevated Zr/Hf ratios(40.6-45.2)and negative Zr and Hf anomalies,indicating the presence of a carbonate component in the mantle *** are enriched in incompatible trace elements and have enriched mantle 1(EM1)-like SrNd-Pb-Hf isotopic *** isotopic compositions of Vlinder,Il’ichev basanite,and Hemler lavas in this study are similar to the Rarotonga *** occurring at the same seamount,the Il’ichev alkali basalts display more depleted SrNd-Hf isotopic compositions compared to Il’ichev *** to plate tectonic reconstruction results,the ages of Hemler(100.1 Ma),Vlinder pre-(100.2 Ma)and post-shield(87.5 Ma),and Il’ichev(56.4 Ma)lavas clearly deviate from the Macdonald,Arago,Rarotonga,and Samoa hotspot tracks,indicating that they cannot directly originate from mantle *** propose that in the mid-Cretaceous,when the Pacific plate passed over Rarotonga hotspot,melting of Rarotonga plume formed the Vlinder(main-shield stage),Pako,and Ioah *** Rarotonga(and possibly Samoa)plume materials would have been dispersed into the surrounding asthenosphere by mantle conve

关键词： Mantle plume Magellan seamount trail Carbonated mantle component Hotspot Lithosphere extension

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