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Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

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Journal of Energy Chemistry 2024年第6期93卷 299-305,I0008页

作者： Legeng yu Nan yao yu-Chen Gao Zhong-Heng Fu bo Jiang Ruiping Li Cheng Tang Xiang Chen Tsinghua Center for Green Chemical Engineering Electrification(CCEE) Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083China National Materials Corrosion and Protection Data Center University of Science and Technology BeijingBeijing 100083China Ordos Carbon Neutral Research and Application Co. Ltd.Ordos 017010Inner Mongoli1China Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Center for Next-Generation Energy Materials and School of Chemical Engineering Sungkyunkwan University2066 Seobu-roJangan-guSuwon-siGyeonggi-do 16419Republic of Korea

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium ***,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very ***,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an *** interface model was developed,incorporating the electrode potential and atom *** a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic ***,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,*** preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+*** CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

关键词： Lithium batteries Graphite N-doping Electric double layer Molecular dynamics Constant potential method Electrode potential

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Coherent link between a Ti:sapphire comb and a 1.5μm laser via nonlinear interaction in photonic crystal fiber

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Photonics Research 2024年第2期12卷 350-355页

作者： yuAN yao HAOSEN SHI GUANG YANG bo LI CONGyu WANG HONGFU yu LONGSHENG MA YANYI JIANG State Key Laboratory of Precision Spectroscopy East China Normal UniversityShanghai 200062China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China

Optical clock networks have distinct advantages for the dissemination of time/frequency,geodesy,and fundamental *** realize such a network,the telecom band and optical atomic clocks have to be coherently *** the telecom band and optical atomic clocks reside in a distinct spectral region,second-harmonic generation is usually introduced to bridge the large frequency *** this paper,we introduce a new method to coherently link a 1550 nm continuous wave laser with a Ti:sapphire mode-locked laser-based optical frequency *** coupling the 1550 nm continuous wave laser light and the Ti:sapphire comb light together into a photonic crystal fiber,nonlinear interaction takes place,and new comblike frequency components related to the 1550 nm laser frequency are generated in the visible ***,we can detect beat notes between two combs in the visible region with a signal-to-noise ratio of more than 40 dB in a resolution bandwidth of300 *** this signal,we realize an optical frequency divider for converting the frequency of optical clocks in the visible region to the telecom band at 1.55μ*** out-of-loop measurement shows that the additional noise and uncertainty induced in optical frequency conversion are 5×10^(-18)at 1 s averaging time and 2.2×10^(-19),respectively,which are limited by the uncompensated light path fluctuation but fulfill precision measurement using state-of-the-art optical clocks.

关键词： fiber interaction nonlinear

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On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass

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Matter and Radiation at Extremes 2024年第2期9卷 74-89页

作者： Kaiguo Chen bo Chen Yinan Cui yuying yu Jidong yu Huayun Geng Dongdong Kang Jianhua Wu yao Shen Jiayu Dai College of Science National University of Defense TechnologyChangsha 410073People’s Republic of China Hunan Key Laboratory of Extreme Matter and Applications National University of Defense TechnologyChangsha 410073People’s Republic of China Applied Mechanics Laboratory Department of Engineering MechanicsSchool of AerospaceTsinghua UniversityBeijing 100084People’s Republic of China Institute of Fluid Physics China Academy of Engineering PhysicsMianyangPeople’s Republic of China Department of Material Science and Technology Shanghai Jiao Tong UniversityShanghaiPeople’s Republic of China

Entropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extremeconditions. However, the origin and accurate quantification of entropy in this situation remain long-standing challenges. In this work, a framework is established for the quantification of entropy production and partition, and their relation to microstructural change in QIC. Cu50Zr50is taken as a model material, and its compression is simulated by molecular dynamics. On the basis of atomistic simulation-informed physicalproperties and free energy, the thermodynamic path is recovered, and the entropy production and its relation to microstructural change aresuccessfully quantified by the proposed framework. Contrary to intuition, entropy production during QIC of metallic glasses is relativelyinsensitive to the strain rate ˙γ when ˙γ ranges from 7.5 × 10^(8) to 2 × 10^(9)/s, which are values reachable in QIC experiments, with a magnitudeof the order of 10^(−2)kB/atom per GPa. However, when ˙γ is extremely high (>2 × 10^(9)/s), a notable increase in entropy production rate with˙γ is observed. The Taylor–Quinney factor is found to vary with strain but not with strain rate in the simulated regime. It is demonstrated thatentropy production is dominated by the configurational part, compared with the vibrational part. In the rate-insensitive regime, the increase inconfigurational entropy exhibits a linear relation to the Shannon-entropic quantification of microstructural change, and a stretched exponential relation to the Taylor–Quinney factor. The quantification of entropy is expected to provide thermodynamic insights into the fundamentalrelation between microstructure evolution and plastic dissipation.

关键词： entropy metallic regime

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Analysis of sex pheromone production and field trapping of the Asian corn borer(Ostrinia furnacalis Guenée)in Xinjiang,China

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Journal of Integrative Agriculture 2023年第4期22卷 1093-1103页

作者： DENG Jian-yu LAN Chen-yi-hang ZHOU Jun-xiang yao yu-bo YIN Xiao-hui FU Kai-yun DING Xin-hua GUO Wen-chao LIU Wen WANG Na Fumin WANG The Key Laboratory for Quality Improvement of Agricultural Products of Zhejiang Province/Department of Plant Protection Advanced College of Agricultural SciencesZhejiang A&F UniversityHangzhou 311300P.R.China Key Laboratory of Integrated Pest Management on Crops in Northwestern Oasis Ministry of Agriculture and Rural Affairs/Institute of Plant ProtectionXinjiang Academy of Agricultural SciencesUrumqi 830091P.R.China Agricultural Technology Extension Center of Yining County Yining 835000P.R.China Division of Plant and Soil Sciences Davis College of AgricultureNatural Resources and DesignWest Virginia UniversityMorgantown 26506USA

Identifying the sex pheromone systems of local pest populations facilitates their management,especially for moth species that show significant geographic variation in sex pheromone *** investigated the pheromone production and behavioral responses of the Asian corn borer(Ostrinia furnacalis Guenée;ACB)in Xinjiang,*** ACB produces three compounds:(Z)-12-tetradecenyl acetate(Z12-14:Ac)and(E)-12-tetradecenyl acetate(E12-14:Ac)which are two sex pheromone compounds,and n-tetradecyl acetate(14:Ac)which has variable roles in mediating behavioral *** ratios of these three compounds produced in female gland are geographically distinct among different *** analysis of pheromone production showed that the proportions of Z12-14:Ac in the E/Z isomers(i.e.,Z and E12-14:Ac)and the proportions of 14:Ac in the ternary blend respectively averaged 60.46%(SD=5.26)and 25.00%(SD=7.37),with their probabilities normally or near-normally *** experiments in a cornfield indicated that deploying the E/Z isomers and the three compounds in rubber septa close to their gland ratios yielded the most captured males,while other ratios that deviated from the gland ratios showed reduced field *** ternary blend was significantly more attractive to males than the E/Z isomers in the field,indicating a functional role of 14:Ac as the third pheromone component used by the local ***,the dose-response test demonstrated that the application of the three compounds at dosages between 200 and 350μg attracted significantly more males compared to other ***,the characterization of this local ACB pheromone system provides additional information about its geographic variation and serves as a basis for optimizing the pheromone-mediated control of this pest in Xinjiang.

关键词： geographic variation Ostrinia furnacalis Asian corn borer sex pheromone pheromone titer field trapping

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Interface interaction between SiO_(2) and magnetite under high temperature:particle migration and inhibition mechanism

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Journal of Iron and Steel Research(International) 2024年第3期31卷 561-572页

作者： yao-zu Wang Jian-liang Zhang Qiang Cheng Hui-qing Jiang Zheng-jian Liu yu-bo Tan School of Intelligent Science and Technology University of Science and Technology BeijingBeijing 100083China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China School of Advanced Engineering University of Science and Technology BeijingBeijing 100083China

Silicon is one of the main gangue components in iron ore,usually in the form of quartz and *** studies have shown that SiO_(2) has a two-sided effect on the consolidation of pellets during high-temperature oxidation roasting of ***,it is very difficult to capture the structural evolution and migration mechanisms during high-tem-perature roasting process by existing experimental ***,the influence of SiO_(2) on the consolidation behavior of magnetite was studied through a series of roasting experiments and molecular dynamic *** results show that the consolidation index and particle growth index decrease with the increase in SiO_(2) content in the *** 1573 K,the liquid phase promotes the recrystallization growth of hematite at high *** dynamic study shows that it is difficult for quartz SiO_(2) to form sintering neck with Fe_(2)O_(3).When the calcination temperature is higher than 1400 K,the Fe_(2)O_(3)-Fe_(2)SiO_(4) system produces a considerable sintering neck structure after *** atomic migration ability of Fe_(2)SiO_(4) is much higher than that of Fe_(2)O_(3).The higher atomic migration ability of Fe_(2)SiO_(4) is the main reason for the formation of the sintering neck.

关键词： Sintering neck Crystal growth Consolidation Molecular dynamics SiO_(2)

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Highly efficient photo-thermal synergistic catalysis of CO_(2)methanation over La1-xCexNiO_(3)perovskite-catalyst

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Nano Research 2024年第9期17卷 7945-7956页

作者： Ting Li Zhen-yu Zhang De-Cun Luo bo-yu Xu Rong-Jiang Zhang Ji-Long yao Dan Li Tao Xie Institute of Industrial Catalysis School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an 710049China

Solar-driven photo-thermal catalytic CO_(2)methanation reaction is a promising technology to alleviate the problems posed by greenhouse gases ***,designing advanced photo-thermal catalysts remains a research challenge for CO_(2)methanation *** this work,a series of Abo3(A=lanthanide,B=transition metal)perovskite catalysts with Ce-substituted LaNiO3(La1-xCexNiO3,x=0,0.2,0.5,0.8,1)were synthesized for CO_(2)*** La0.2Ce0.8NiO3 exhibited the highest CH4 formation rate of 258.9 mmol·g^(-1)·hcat-1,CO_(2)conversion of 55.4%and 97.2%CH4 selectivity at 300℃with the light intensity of 2.9 W·cm^(-2).Then the catalysts were thoroughly analyzed by physicochemical structure and optical properties *** partial substitution of the A-site provided more active sites for the adsorption and activation of CO_(2)/H_(2).The sources of the active sites were considered to be the oxygen vacancies(Ov)created by lattice distortions due to different species of ions(La^(3+),Ce^(4+),Ce^(3+))and exsolved Ni0 by H_(2)*** catalysts have excellent light absorption absorbance and low electron-hole(e-/h+)recombination rate,which greatly contribute to the excellent performance in photo-thermal synergistic catalysis(PTC)CO_(2)*** results of in situ irradiated electron paramagnetic resonance spectrometer(ISI-EPR)and ISI-X-ray photoelectron spectroscopy(XPS)indicated that the aggregation of unpaired electrons near the defects and Ni metal(from La and Ce ions to Ov and Ni0)accelerated adsorption and activation of CO_(2)/H_(2).At last,the catalyst properties and structure were correlated with the proposed reaction mechanism from the in situ diffuse reflection infrared Fourier transform spectrum(DRIFTS)*** in situ precipitation of the B-site enhanced the dispersion of Ni,while its enriched photoelectrons upon illumination further promote hydrogen *** H^(*)spillover accelerated the rate-determining step(RDS)of H

关键词： photo-thermal catalysis CO_(2)methanation perovskite A-site substitution in situ diffuse reflection infrared Fourier transform spectrum(DRIFTS)

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Black hole evaporation and its remnants with the generalized uncertainty principle including a linear term

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Communications in Theoretical Physics 2024年第2期76卷 125-136页

作者： bo yu Zheng-wen Long College of Physics Guizhou UniversityGuiyang550025China

In recent years,researchers have investigated the evaporation of Schwarzschild black holes using various forms of the generalized uncertainty principle(GUP),metric quantum correction,and noncommutative geometry,***,there are differences between the GUP correction and the other two methods in terms of describing the later stages of black hole ***,some studies argue that the GUP with a negative parameter cannot effectively correct black hole evaporation,while others contend that the positivity or negativity of the GUP parameters should not affect the correction *** the above into consideration,we reconsider black hole evaporation with the generalized uncertainty principle including a linear term(LGUP),and examine the case of negative *** results indicate that the evaporation behavior of both Schwarzschild black holes and Reissner–Nordstr?m black holes,under LGUP correction,is consistent with the results of metric quantum correction and non-commutative ***,the negative parameter LGUP can also effectively correct for black hole evaporation.

关键词： black hole evaporation generalized uncertainty principle negative parameter

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Demonstration of high-dimensional controlled quantum teleportation for the first time

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Science China(Physics,Mechanics & Astronomy) 2024年第3期67卷 163-164页

作者： yu-bo Sheng Lan Zhou College of Electronic and Optical Engineering and College of Flexible Electronics(Future Technology) Nanjing University of Posts and TelecommunicationsNanjing 210023China College of Science Nanjing University of Posts and TelecommunicationsNanjing 210023China

Controlled quantum teleportation(CQT) [1] is the tripartite version of quantum teleportation and it allows the teleportation of an unknown quantum state under the control of a third party. Compared with low-dimensional counterparts,high-dimensional CQT can exhibit larger information transmission capacity and a higher control power [2,3].

关键词： quantum dimensional high

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Identification of two compound heterozygous GNRHR mutations in two siblings with congenital hypogonadotropic hypogonadism

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Asian Journal of Andrology 2024年第1期26卷 120-122页

作者： Xiao-Bin Wang Ping Chen Xue-Er yu Zu-Liang yao Ting-Chao Guo bo-Chen Pan Center for Reproductive Medicine Department of Obstetrics and GynecologyShengjing Hospital of China Medical UniversityShenyang 110004China NuProbe Shanghai 200433China Urology Surgery of The Affiliated Reproductive Hospital of China Medical University and Liaoning Key Laboratory of Reproductive Health Liaoning Research Institute of Family Planning(The Affiliated Reproductive Hospital of China Medical University)Shenyang 110031China NHC Key Laboratory of Reproductive Health and Medical Genetics China Medical UniversityShenyang 110122China

DearEditor,Congenital hypogonadotropic hypogonadism(CHH)is a rare genetic disease characterized by gonadotropin-releasing hormone(GnRH)deficiency or insufficiency and normal hypothalamic-pituitary structures,resulting in defective sexual maturation or/and infertility.!CHH presents as a variety of nonreproductive phenotypes,such as renal hypoplasia,dental hypoplasia,or oculomotor abnormalities.

关键词： pogon compound ism

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Event-Triggered Bipartite Consensus Tracking and Vibration Control of Flexible Timoshenko Manipulators Under Time-Varying Actuator Faults

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IEEE/CAA Journal of Automatica Sinica 2024年第5期11卷 1190-1201页

作者： Xiangqian yao Hao Sun Zhijia Zhao yu Liu School of Automation Science and Engineering South China University of TechnologyGuangzhou 510640China Yongjiang Laboratory Ningbo 315202 School of Astronautics Harbin Institute of TechnologyHarbin 150001China School of Mechanical and Electrical Engineering Guangzhou UniversityGuangzhou 510006China

For bipartite angle consensus tracking and vibration suppression of multiple Timoshenko manipulator systems with time-varying actuator faults,parameter and modeling uncertainties,and unknown disturbances,a novel distributed boundary event-triggered control strategy is proposed in this *** contrast to the earlier findings,time-varying consensus tracking and actuator defects are taken into account *** addition,the constructed event-triggered control mechanism can achieve a more flexible design because it is not required to satisfy the input-to-state *** achieve the control objectives,some new integral control variables are given by using back-stepping technique and boundary ***,adaptive neural networks are applied to estimate system *** the proposed event-triggered scheme,control inputs can reduce unnecessary ***,tracking errors and vibration states of the closed-looped network can be exponentially convergent into some small fields,and Zeno behaviors can be *** last,some simulation examples are given to state the effectiveness of the control algorithms.

关键词： Vibration satisfy bipartite

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