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Journal of Materials Science and Chemical Engineering 2024年第4期12卷 84-97页

作者： Dongdong Chen Chundong Mi Menglan Yuan aiquan jia Qian-Feng Zhang Institute of Molecular Engineering and Applied Chemistry Anhui University of Technology Ma&#8217anshan China

In the traditional process, m-phenylenediamine reacts with fuming sulfuric acid at high temperature to get intermediates, and then after dehydration occurs intramolecular rearrangement to get 2,4-diaminobenzenesulfonic acid. Traditional methods need to consume a lot of fuming sulfuric acid or concentrated sulfuric acid, resulting in high industrial large-scale production cost, more waste, and posing a serious environmental pollution risk. In this thesis, three different sulfonation reagents were used for the sulfonation reaction of m-phenylenediamine, and the reaction mechanisms and crystal structures of the three pathways were investigated. The three routes are: 1) one-step synthesis of monosulfonated compound 1 from raw material and sulfur trioxide (SO3);2) rapid reaction of raw material and chlorosulfonic acid to synthesize bisulfonated compound 2;3) direct eutectic crystallization of raw material and ordinary sulfuric acid to obtain compound 3. The crystal structure of the compounds synthesized by three paths was analyzed by X-ray single crystal diffraction, and compound 1 was characterized by NMR, Fourier infrared spectra, UV-visible spectrum and Mass spectrometry. The one-step synthesis of SO3 as a sulfonation reagent has the advantages of mild reaction conditions, simple operation and low cost.

关键词： 2 4-Diaminobenzenesulfonic Acid Sulfur Trioxide (SO3) Spectrometry Crystal Structure

Synthesis and Structure of a Host-Guest Inclusion System between C-propyl-o-toluidine-methyl-resorcin[4]arene and Ethanol Solvate

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Journal of Materials Science and Chemical Engineering 2023年第12期11卷 22-33页

作者： Lusi Chen Rurou jiang Huatian Shi aiquan jia Qianfeng Zhang Institute of Molecular Engineering and Applied Chemistry Anhui University of Technology Ma’anshan China

Tetra-bromo-methyl-resorcin[4]arene cavitands were synthesized and C-2 position amine functionalized to obtain C-propyl-o-toluidine-methyl-resorcin[4]arene cavitand 4, and the crystal containing one solvate molecule of ethanol was obtained in a dichloromethane-ethanol solvent system, its structure crystallized in the monoclinic space group P21/n, with a = 12.521(3) Å, b = 21.738(6) Å, c = 25.353(6) Å, α = 90˚, β = 102.372(4)˚, γ = 90˚, and Z = 4. The compound was determined by single-crystal X-ray diffraction and characterized by 1H NMR, FT-IR and elemental analyses.

关键词： Resorcinarene Cavitand Amine Functionalized Dichloromethane-Ethanol

Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： jia Zhao Taixi Feng Guimin Lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

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N-[1,2,4]噻二唑[3,2-b]苯并噻唑苯甲酰亚胺的合成与晶体结构

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苏州大学学报（自然科学版） 2007年第1期23卷 76-79页

作者：贾爱铨曾润生苏州大学化学化工学院江苏苏州215123

报道了N-[1,2,4]噻二唑[3,2-b]苯并噻唑苯甲酰亚胺(3,C15H9N3OS2,Mr=311.37)的合成及晶体结构.晶体属于单斜晶系,空间群P21/c,晶胞常数:a=1.011 5(2)nm,b=1.184 8(2)nm,c=1.210 7(3)nm,α=90°,β=114.616°,γ=90°,Z=4,V=1.319 0(5)nm3,Dc=1.568 g/cm3,μ(MoK)=0.404mm-1,F(000)=640,241 9个可观察衍射点(I>2(σI)),R1=0.058 9,R2=0.120 1.X-衍射分析表明标题化合物为N-[1,2,4]噻二唑[3,2-b]苯并噻唑苯甲酰亚胺.

关键词： N-噻二唑[3,2-b]苯并噻唑苯甲酰亚胺有机合成晶体结构

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High-dense nanocrystalline W-based alloy prepared by hot isostatic pressing with uniform microstructure, ultrahigh hardness and good thermal stability

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Tungsten 2025年第1期7卷 120-136页

作者： Zao-Ming Wu Lin He Lin-Sen Ye Xiao-Feng Yang jia-jia Zhang Hong-Bo Lei Institute of Materials China Academy of Engineering Physics

High-density uniform microstructure nanocrystalline W-10wt.% Cr-5wt.% Y（W-10Cr-5Y） alloy with an average grain size of 85 nm and a relative density of 99.8% was successfully prepared.W-Cr-Y alloys with different amounts of second-phase particles were prepared by high-energy ball milling and hot isostatic pressing *** effects of composition design,ball milling parameters,and sintering parameters on the microstructure of W-Cr-Y alloys were studied.A feasible technology for controlling the synthesis of high-density nanocrystalline W-based alloys has been *** microstructure analysis of nanocrystalline W-10Cr-5Y alloy shows that there are two types of doping in the second phase:intergranular doping and intragranular *** "uniform distribution YOx-rich particles" effectively suppresses the grain growth of W and leads to the formation of nanocrystalline W-10Cr-5Y alloy.W-10Cr-5Y has an ultra-high hardness,with a Vickers hardness of 1312±12 kgf·***-temperature annealing treatment shows that W-10Cr-5Y has good thermal stability at 1000 and1100℃,as demonstrated by the comparison of Vickers hardness and grain size between annealed and unannealed alloys.

关键词： Hot isostatic pressing Microstructure Nanocrystalline tungsten Thermal stability Vickers hardness

Thickness and sp3 bond modulation of（Ti/tetrahedral amorphous carbon）_n multilayer coatings

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Tungsten 2025年第1期7卷 152-160页

作者： Zhi-Jun Xie jia-Lin Li Ling Gong Xiang-Li Zhong Hong-jia Song Jin-Bin Wang National-Provincial Laboratory of Special Function Thin Film Materials School of Materials Science and Engineering Xiangtan University

The durability of wear-resistant tetrahedral amorphous carbon（ta-C） coatings is intimately linked to their thickness and the concentration of *** enhance the lifespan of the coatings,we have prepared a multilayer coating consisting of alternating layers of Ti and ta-C,denoted as（Ti/ta-C）_n,using arc ion plating.A multi-layer structure in conjunction with stage cooling is employed to enhance the thickness and promote *** results indicate that the ID/IGvalue,representing the ratio of the intensity of the D peak to that of the G peak in Raman spectroscopy,decreases from 0.85 when no stage cooling is applied to 0.35 when stage cooling is employed,suggesting an enhancement in the fraction of sp3bonds within the *** obtained（Ti/ta-C）_n multilayer coating without peeling off has a maximum thickness of 1.14 μm,which is almost double that of the ta-C coating single layer *** the same time,the coating has a low coefficient of friction,down to 0.069,and maintains excellent friction properties with a wear rate of 3.4×10-6mm3·N-1·*** results conclusively show that the preparation technology can enhance both thickness and sp3bonding in ta-C coatings,significantly expanding their utility across tools,molds,and precision engineering components.

关键词： Arc ion plating Multilayer structure sp3 bond Ta-C coating Wear resistance

Toward Analytical Homogenized Relaxation Modulus for Fibrous Composite Material with Reduced Order Homogenization Method

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Computers, Materials & Continua 2025年第1期82卷 193-222页

作者： Huilin jia Shanqiao Huang Zifeng Yuan HEDPS Center for Applied Physics and Technology(CAPT)Department of Mechanics and Engineering SciencePeking UniversityBeijing100871China State Key Laboratory for Turbulence and Complex Systems Peking UniversityBeijing100871China

In this manuscript,we propose an analytical equivalent linear viscoelastic constitutive model for fiber-reinforced composites,bypassing general computational *** method is based on the reduced-order homogenization(ROH)*** ROH method typically involves solving multiple finite element problems under periodic conditions to evaluate elastic strain and eigenstrain influence functions in an‘off-line’stage,which offers substantial cost savings compared to direct computational homogenization *** to the unique structure of the fibrous unit cell,“off-line”stage calculation can be eliminated by influence functions obtained *** the standard solid model to the ROH method enables the creation of a comprehensive analytical homogeneous viscoelastic constitutive *** method treats fibrous composite materials as homogeneous,anisotropic viscoelastic materials,significantly reducing computational time due to its analytical *** approach also enables precise determination of a homogenized anisotropic relaxation modulus and accurate capture of various viscoelastic responses under different loading *** sets of numerical examples,including unit cell tests,three-point beam bending tests,and torsion tests,are given to demonstrate the predictive performance of the homogenized viscoelastic ***,the model is validated against experimental measurements,confirming its accuracy and reliability.

关键词： Homogenized relaxation modulus viscoelastic standard solid model reduced order homogenization fibrous composite material

Passive activity enhances residual control ability in patients with complete spinal cord injury

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Neural Regeneration Research 2025年第8期20卷 2337-2347页

作者： Yanqing Xiao Mingming Gao Zejia He jia Zheng Hongming Bai jia-Sheng Rao Guiyun Song Wei Song Xiaoguang Li Beijing Key Laboratory for Biomaterials and Neural Regeneration Beijing Advanced Innovation Center for Biomedical EngineeringSchool of Biological Science and Medical EngineeringBeihang UniversityBeijingChina Department of Rehabilitation Evaluation China Rehabilitation Research CenterBeijingChina Cardiac Center Beijing Children’s HospitalCapital Medical UniversityBeijingChina The State Key Laboratory of Virtual Reality Technology and Systems Beihang UniversityBeijingChina Department of Rehabilitation Engineering China Rehabilitation Science InstituteBeijingChina

Patients with complete spinal cord injury retain the potential for volitional muscle activity in muscles located below the spinal injury ***,because of prolonged inactivity,initial attempts to activate these muscles may not effectively engage any of the remaining neurons in the descending pathway.A previous study unexpectedly found that a brief clinical round of passive activity significantly increased volitional muscle activation,as measured by surface *** this study,we further explored the effect of passive activity on surface electromyographic signals during volitional control tasks among individuals with complete spinal cord *** patients with chronic complete thoracic spinal cord injury were *** electromyography data from eight major leg muscles were acquired and compared before and after the passive activity *** results indicated that the passive activity led to an increased number of activated volitional muscles and an increased frequency of *** the cumulative root mean square of surface electromyography amplitude for volitional control of movement showed a slight increase after passive activity,the difference was not statistically *** findings suggest that brief passive activity may enhance the ability to initiate volitional muscle activity during surface electromyography tasks and underscore the potential of passive activity for improving residual motor control among patients with motor complete spinal cord injury.

关键词： complete spinal cord injury cycle training epidural electrical stimulation motor training passive activity physiological state spinal cord circuit surface electromyography volitional control task

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A Review on Thermal Management of Li-ion Battery:from Small-Scale Battery Module to Large-Scale Electrochemical Energy Storage Power Station

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Journal of Thermal Science 2025年第1期34卷 1-23页

作者： CHEN Zhifeng jia Li YIN Liaofei DANG Chao REN Honglei ZHANG Zhiqiang Beijing Key Laboratory of Flow and Heat Transfer of Phase Changing in Micro and Small Scale School of MechanicalElectronic and Control EngineeringBeijing Jiaotong University

Li-ion battery is an essential component and energy storage unit for the evolution of electric vehicles and energy storage technology in the ***,in order to cope with the temperature sensitivity of Li-ion battery and maintain Li-ion battery safe operation,it is of great necessary to adopt an appropriate battery thermal management system(BTMS).In this paper,the current main BTM strategies and research hotspots were discussed from two aspects:small-scale battery module and large-scale electrochemical energy storage power station(EESPS).The practical application situation,advantages and disadvantages,and the future development trend of each heat dissipation method(air,liquid,PCM,heat pipe,hybrid cooling) were described in *** them,the air cooling and liquid cooling were reviewed in-depth based on the engineering *** PCM,heat pipe and hybrid cooling were reviewed extensively based on the latest *** research provides a comprehensive understanding for the BTMS in all scales.

关键词： battery thermal management cooling methods large-scale electrochemical energy storage power station small-scale battery module

Anomalous quality factor evolution of induced transparency in a virtualized coupled-oscillator system

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 148-155页

作者： Yunhan Yang Han jia Tuo Liu Yuzhen Yang Jun Yang Key Laboratory of Noise and Vibration Research Institute of Acoustics Chinese Academy of Sciences University of Chinese Academy of Sciences State Key Laboratory of Acoustics Institute of Acoustics Chinese Academy of Sciences

The phenomenon of induced transparency, characterized by a high quality(Q) factor, holds significant importance in the fields of high-precision sensing, energy storage and wave manipulation. Conventional transparency systems are often constrained by the limited experimentally accessible parameter space and the lack of independent control over intrinsic parameters, thereby hindering advanced research on high-Q effects. Here we propose a virtualized coupled-oscillator system that enables reconfigurable induced transparency in the reflection spectrum. By virtually incorporating a pair of coupled oscillators into an individual acoustic meta-atom, we achieve the manipulation of induced transparency in a decoupled, wide-ranging, and elaborate manner. Exploiting the diverse evolutions across the intrinsic parameter space, we show experimentally a counter-intuitive increase in the Q-factor of the transparency window, which is attributed to the enhanced dissipation of the bright ***, a constant group delay at the center frequency is observed accompanying this evolution. Our work demonstrates an intriguing platform as well as a novel strategy to engineer high-Q induced transparency phenomenon, and paves the way towards applications in programmable acoustic sensors, filters and slow-wave devices.

关键词： induced transparency acoustic meta-atom high quality-factor scattering programmable intrinsic parameter