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Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi zhang Rong Liu jing-Yuan Liu Wen-Wei Jiang Key Laboratory of Fine Chemical Engineering and Functional Materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

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Accurate simulations of pure-viscoacoustic wave propagation in tilted transversely isotropic media

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Petroleum Science 2024年第2期21卷 866-884页

作者： Qiang Mao Jian-Ping Huang Xin-ru Mu Ji-Dong Yang Yu-Jian zhang Geosciences Department China University of Petroleum(East China)Qingdao266580ShandongChina Pilot National Laboratory for Marine Science and Technology(Qingdao) Qingdao266207ShandongChina

Forward modeling of seismic wave propagation is crucial for the realization of reverse time migration(RTM) and full waveform inversion(FWI) in attenuating transversely isotropic media. To describe the attenuation and anisotropy properties of subsurface media, the pure-viscoacoustic anisotropic wave equations are established for wavefield simulations, because they can provide clear and stable wavefields. However, due to the use of several approximations in deriving the wave equation and the introduction of a fractional Laplacian approximation in solving the derived equation, the wavefields simulated by the previous pure-viscoacoustic tilted transversely isotropic(TTI) wave equations has low accuracy. To accurately simulate wavefields in media with velocity anisotropy and attenuation anisotropy, we first derive a new pure-viscoacoustic TTI wave equation from the exact complex-valued dispersion formula in viscoelastic vertical transversely isotropic(VTI) media. Then, we present the hybrid finite-difference and low-rank decomposition(HFDLRD) method to accurately solve our proposed pure-viscoacoustic TTI wave equation. Theoretical analysis and numerical examples suggest that our pure-viscoacoustic TTI wave equation has higher accuracy than previous pure-viscoacoustic TTI wave equations in describing q P-wave kinematic and attenuation characteristics. Additionally, the numerical experiment in a simple two-layer model shows that the HFDLRD technique outperforms the hybrid finite-difference and pseudo-spectral(HFDPS) method in terms of accuracy of wavefield modeling.

关键词： Pure-viscoacoustic TTI wave equation Attenuation anisotropy Seismic modeling Low-rank decomposition method

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Constrained clustering with weak label prior

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Frontiers of Computer Science 2024年第3期18卷 117-132页

作者： jing zhang ruidong FAN Hong TAO Jiacheng JIANG Chenping HOU College of Sciences National University of Defense TechnologyChangsha 410073China

Clustering is widely exploited in data *** has been proved that embedding weak label prior into clustering is effective to promote its *** researches mainly focus on only one type of ***,in many real scenarios,two kinds of weak label prior information,e.g.,pairwise constraints and cluster ratio,are easily obtained or already *** to incorporate them to improve clustering performance is important but rarely *** propose a novel constrained Clustering with Weak Label Prior method(CWLP),which is an integrated *** the unified spectral clustering model,the pairwise constraints are employed as a regularizer in spectral embedding and label proportion is added as a constraint in spectral *** approximate a variant of the embedding matrix more precisely,we replace a cluster indicator matrix with its scaled *** of fixing an initial similarity matrix,we propose a new similarity matrix that is more suitable for deriving clustering *** for the theoretical convergence and computational complexity analyses,we validate the effectiveness of CWLP through several benchmark datasets,together with its ability to discriminate suspected breast cancer patients from healthy *** experimental evaluation illustrates the superiority of our proposed approach.

关键词： clustering weak label prior cluster ratio pairwise constraints

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Solvothermal synthesis and adsorption performance of layered boehmite using aluminum chloride and high-alumina fly ash

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Chinese Journal of Chemical Engineering 2024年第6期70卷 280-290页

作者： jing Wen ruirui Yuan Tao Jiang Tangxia Yu Yufan zhang School of Metallurgy Northeastern UniversityShenyang 110819China Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China Liaoning Key Laboratory for Metallurgical Sensor and Technology Shenyang 110819China

High alumina fly ash(FAHAl)is a kind of bulk solid waste unique to China,whose availability of high-value aluminum and the threat to the environment makes its high-value utilization *** this work,the alumina containing leaching solution obtained from Na_(2)CO_(3) roasting and HCl leaching of FAHAl was used as the mother liquor to prepare layered boehmite in *** preparation process with AlCl_(3) as the raw material was also *** formation process and mechanism of boehmite,the choice of solvent,along with the adsorption capability of Congo red were analyzed by X-ray diffraction,scanning electron microscopy,Fourier transform infrared spectroscopy,Brunauer-Emmett-Teller method and adsorption *** showed that during the preparation of layered boehmite,the precursor Al(OH)_(3) from the reaction of Al^(3+) and OH-is transformed into boehmiteγ-*** existence of ethanol is beneficial to regulate and promote the growth of boehmite crystal *** water and ethanol are mixed with a volume ratio of 2:1 and used as the solvent,the maximum specific surface area of the boehmite is obtained at 135.7 m^(2)·g^(-1),and 99.16%of Congo red can be absorbed after 10 min when AlCl3 is used as a raw *** purified leaching solution is used as the mother liquid,the crystallinity of boehmite decreases slightly when the pH value decreases from 12.5 to *** pH is 11,the removal efficiency of Congo red reaches a maximum of 72.25%.This process not only achieves the extraction of aluminum and high-value utilization of FAHAl but also provides a thought to prepare layered boehmite with adsorption properties.

关键词： High-alumina fly ash Layered boehmite In-situ preparation Solvothermal synthesis Adsorption High-value utilization

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Aerial refueling scheduling of multi-receiver and multi-tanker under spatial-temporal constraints for forest firefighting

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Chinese Journal of Aeronautics 2024年第5期37卷 71-91,I0001页

作者： jing HUANG Jiaqi XING Jinrui REN Quan QUAN Youmin zhang Department of Information and Control Engineering Xi’an University of TechnologyXi’an 710048China Jiujiang Measuring Test Technology Research Institute Jiujiang 332000China School of Automation Science and Electrical Engineering Beihang UniversityBeijing 100191China School of Automation Xi’an University of Posts&TelecommunicationsShaanxiXi’an 710121China Department of Mechanical Industrial and Aerospace EngineeringConcordia UniversityMontreal H3G 1M8Canada

Forest fires pose a significant threat to human life and property,so the utilization of unmanned aircraft systems provides new ways for forest *** the constrained load capacities of these aircraft,aerial refueling becomes crucial to extend their operational time and *** order to address the complexities of firefighting missions involving multi-receiver and multi-tanker deployed from various airports,first,a fuel consumption calculation model for aerial refueling scheduling is established based on the receiver ***,two distinct methods,including an integrated one and a decomposed one,are designed to address the challenges of establishing refueling airspace and allocating tasks for *** methods aim to optimize total fuel consumption of the receivers and tankers within the aerial refueling scheduling *** optimization problem is established as nonlinear optimization models along with *** integrated method seamlessly combines refueling rendezvous point scheduling and tanker task allocation into unified *** has a complete solution space and excels in optimizing total fuel *** decomposed method,through the separation of rendezvous point scheduling and task allocation,achieves a reduced computational ***,this comes at the cost of sacrificing optimality by excluding specific feasible ***,numerical simulations are carried out to verify the feasibility and effectiveness of the proposed *** simulations yield insights crucial for the practical engineering application of both the integrated and decomposed methods in real-world *** comprehensive approach aims to enhance the efficiency of forest firefighting operations,mitigating the risks posed by forest fires to human life and property.

关键词： Aerial refueling Scheduling Planning Spatial-temporal constraint Firefighting

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From tunnel boring machine to tunnel boring robot: perspectives on intelligent shield machine and its smart operation

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2024年第5期25卷 357-381页

作者： Yakun zhang Guofang GONG Huayong YANG Jianbin LI Liujie jing State Key Laboratory of Fluid Power and Mechatronic Systems Zhejiang UniversityHangzhou 310058China China Railway Engineering Equipment Group Co. Lid.Zhengzhou 450016China Maha Fluid Power Research Center Purdue UniversityWest LafayetteIN 47905USA

Advances in intelligent shield machines reflect an evolving trend from traditional tunnel boring machines(TBMs)to tunnel boring robots(TBRs).This shift aims to address the challenges encountered by the conventional shield machine industry arising from construction environment and manual *** study presents a systematic review of intelligent shield machine technology,with a particular emphasis on its smart ***,the definition,meaning,contents,and development modes of intelligent shield machines are *** development status of the intelligent shield machine and its smart operation are then *** analyzing the operation process of the shield machine,an autonomous operation framework considering both stand-alone and fleet levels is *** and recommendations are given for achieving autonomous *** study offers insights into the essence and developmental framework of intelligent shield machines to propel the advancement of this technology.

关键词： Intelligent shield machine Tunnel boring machine(TBM) Tunnel boring robot(TBR) Self-driving Autonomous control Shield machine

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Recent Research Progress of Paper-Based Supercapacitors Based on Cellulose

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Energy & Environmental Materials 2024年第3期7卷 345-373页

作者： Chuanyin Xiong Tianxu Wang jing Han zhao zhang Yonghao Ni College of Bioresources Chemical&Materials Engineering Shaanxi University of Science and TechnologyXi'an 710021China School of Materials Science and Engineering Tianjin Polytechnic UniversityTianjin 300387China Department of Chemical and Biomedical Engineering The University of MaineOronoMaine 04469USA University of New Brunswick Limerick Pulp&Paper CtrFredericton New Brunswick E3B 5A3Canada

In recent years,paper-based functional materials have received extensive attention in the field of energy storage due to their advantages of rich and adjustable porous network structure and good *** an important energy storage device,paper-based supercapacitors have important application prospects in many fields and have also received extensive attention from researchers in recent *** present,researchers have modified and regulated paper-based materials by different means such as structural design and material composition to enhance their electrochemical storage *** development of paper-based supercapacitors provides an important direction for the development of green and sustainable ***,it is of great significance to summarize the relevant work of paper-based supercapacitors for their rapid development and *** this review,the recent research progress of paper-based supercapacitors based on cellulose was summarized in terms of various cellulose-based composites,preparation skills,and electrochemical ***,some opinions on the problems in the development of this field and the future development trend were *** is hoped that this review can provide valuable references and ideas for the rapid development of paper-based energy storage devices.

关键词： cellulose electrochemical performance flexibility paper-based supercapacitor porous

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Enhanced bright green luminescence from GdOF:Ho^(3+) up-conversion phosphor via Yb^(3+) doping

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Journal of Rare Earths 2024年第2期42卷 263-269,I0002页

作者： Linjun Qin Yue Guo jing Xu Lixi Wang Qitu zhang College of Materials Science and Engineering Nanjing Tech UniversityNanjing211816China

In this paper,a series of GdOF-based green phosphors doped with Ho^(3+) and Yb^(3+) ions was prepared by a simple co-precipitation *** crystal structure s and optical prope rties were investigated in *** intensity of the emission of GdOF:Yb^(3+),Ho^(3+) phosphors is enhanced by the effective energy transfer from Yb^(3+) to Ho^(3+),and the optimal luminescence is achieved with the Ho^(3+)doping amount of 0.1 mol%as well as Yb^(3+) doping amount of 5 mol%.Tunable UC emission of samples is achieved by adjusting the doping concentration of Ho^(3+) or Yb^(3+).The purity of the green UC emission is further improved by enhancing the excitation pumping *** addition,logarithmic functions of green,red and nearinfrared radiation intensities were calculated versus logarithmic function of pump power for further study.A possible UC luminescence mechanism between Yb^(3+) and Ho^(3+) is discussed based on powerdependent UC luminescence spectrum and decay *** results suggest that GdOF:Yb^(3+),Ho^(3+)phosphors with bright and high-purity green UC emission have potential applications in the fields of bioimaging,display and illumination.

关键词： Up-conversion GdOF Lanthanide ions Rare earths

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Targeting synaptic pathology in Alzheimer’s disease

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Zoological Research 2024年第4期45卷 875-876页

作者： jing Cao Yun-Wu zhang Fujian Provincial Key Laboratory of Neurodegenerative Disease and Aging Research Institute of NeuroscienceSchool of MedicineXiamen UniversityXiamenFujian 361102China

Alzheimer’s disease(AD)is a neurodegenerative disorder characterized by memory and cognitive *** two primary pathological hallmarks of AD include the accumulation ofβ-amyloid(Aβ)plaques and formation of neurofibrillary tangles(NFTs)composed predominantly of hyperphosphorylated tau protein(zhang et al.,2023).Moreover,synaptic dysfunction is considered another crucial factor in AD pathogenesis and is closely associated with cognitive ***,synaptic damage,loss,and dysfunction manifest earlier than the pathological features of Aβplaques and NFTs(Knopman et al.,2021).Therefore,understanding the mechanisms underlying synaptic dysfunction in AD is vital for providing insights into disease mechanisms and developing novel therapeutic strategies.

关键词： Alzheimer Aβ tau

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Model gradient: unified model and policy learning in model-based reinforcement learning

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Frontiers of Computer Science 2024年第4期18卷 117-128页

作者： Chengxing JIA Fuxiang zhang Tian XU jing-Cheng PANG Zongzhang zhang Yang YU National Key Laboratory for Novel Software Technology Nanjing UniversityNanjing 210023China Polixir Technologies Nanjing 210000China

Model-based reinforcement learning is a promising direction to improve the sample efficiency of reinforcement learning with learning a model of the *** model learning methods aim at fitting the transition data,and commonly employ a supervised learning approach to minimize the distance between the predicted state and the real *** supervised model learning methods,however,diverge from the ultimate goal of model learning,i.e.,optimizing the learned-in-the-model *** this work,we investigate how model learning and policy learning can share the same objective of maximizing the expected return in the real *** find model learning towards this objective can result in a target of enhancing the similarity between the gradient on generated data and the gradient on the real *** thus derive the gradient of the model from this target and propose the Model Gradient algorithm(MG)to integrate this novel model learning approach with policy-gradient-based policy *** conduct experiments on multiple locomotion control tasks and find that MG can not only achieve high sample efficiency but also lead to better convergence performance compared to traditional model-based reinforcement learning approaches.

关键词： reinforcement learning model-based reinforcement learning Markov decision process

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