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Weak Electrostatic Field Orientation of Cold KRb Molecules Enhanced by a Shaped Laser Pulse

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Chinese Physics Letters 2013年第8期30卷 54-57页

作者： HUANG Yun-Xia xu shu-wu YANG Xiao-Hua School of Science Nantong UniversityNantong 226000 State Key Laboratory of Precision Spectroscopy East China Normal UniversityShanghai 200062

We theoretically investigate the orientation of the cold KRb molecules in a weak electrostatic field assisted by a shaped laser *** results show that the slow turn-on and rapid turn-off laser pulse can enhance the molecular orientation of KRb significantly,and a high degree of molecular orientation of more than 0.9 can be obtained when the electrostatic field is as low as 3 kV/*** addition,the influences of the electrostatic field strength and the parameters of the laser pulse are studied in detail.

关键词： laser pulse electrostatic

Improving Multi-task GNNs for Molecular Property Prediction via Missing Label Imputation

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Machine Intelligence Research 2025年第1期22卷 131-144页

作者： Fenyu Hu Dingshuo Chen Qiang Liu shu wu University of Chinese Academy of Sciences Beijing100190China Center for Research on Intelligent Perception and Computing State Key Laboratory of Multimodal Artificial Intelligence SystemsInstitute of AutomationChinese Academy of SciencesBeijing100190China

The prediction of molecular properties is a fundamental task in the field of drug ***,graph neural networks(GNNs)have been gaining prominence in this *** a molecule tends to have multiple correlated properties,there is a great need to develop the multi-task learning ability of ***,limited by expensive and time-consuming human annotations,collecting complete labels for each task is *** a result,most existing benchmarks involve many missing labels in training data,and the performance of GNNs is impaired due to the lack of sufficient supervision *** overcome this obstacle,we propose to improve multi-task molecular property prediction by missing label ***,a bipartite graph is first introduced to model the molecule-task co-occurrence ***,the imputation of missing labels is transformed into predicting missing edges on this bipartite *** predict the missing edges,a graph neural network is devised,which can learn the complex molecule-task co-occurrence *** that,we select reliable pseudo labels according to the uncertainty of the prediction *** with enough and reliable supervision information,our approach achieves state-of-the-art performance on a variety of real-world datasets.

关键词： Graph classification imbalance learning prediction bias mixture of experts multiview representations

Physics-informed battery degradation prediction:Forecasting charging curves using one-cycle data

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Journal of Energy Chemistry 2025年第2期101卷 825-836页

作者： Aihua Tang Yuchen xu Jinpeng Tian Xing shu Quanqing Yu Key Laboratory of Advanced Manufacturing Technology for Automobile Parts Ministry of Education Chongqing University of Technology Department of Electrical and Electronic Engineering and Research Centre for Grid Modernization The Hong Kong Polytechnic University School of Automotive Engineering Harbin Institute of Technology

Accurately predicting battery degradation is crucial for battery system ***,due to the complexities of aging mechanisms and limitations of historical data,comprehensively indicating battery degradation solely through maximum capacity loss assessment is *** machine learning offers promising solutions,it often overlooks domain knowledge,resulting in reduced accu racy,increased computational burden and decreased ***,this study proposes a method to predict the voltage-capacity（V-Q） curve during battery degradation with limited historical *** process is achieved through two physically interpretable components:a lightweight interpretable physical model and a physics-informed neural *** components incorporate domain knowledge into machine learning to improve V-Q curve prediction performance and enhance *** validation was conducted on 52 batteries of different types under different testing *** proposed method can accurately predict future *** for hundreds of cycles using only one-present-cycle V-Q curve,with root mean square error and mean absolute error basically less than 0.035 Ah and R2basically less than 98.5%.This means that incremental capacity curves can be extracted from the predicted results for a more comprehensive and accurate battery degradation ***,the method can flexibly adjust prediction length and density to cater to the practical needs of long-cycle prediction and data *** study provides a viable method for rapid degradation prediction and is expected to be generalized to in-vehicle implementations.

关键词： Degradation prediction Lightweight interpretable physical model Lithium-ion battery Physics-informed neural network Voltage-capacity curve

B2-CuZr reinforced amorphous alloy matrix composites:A review

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China Foundry 2025年第1期22卷 1-11页

作者： Wei Guo Run-hua Huang Zhen Zhang Mi Zhao Jin-cheng Wang Yan-qiang Qiao shu-lin Lü shu-sen wu State Key Lab of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China School of Aerospace Engineering Huazhong University of Science and TechnologyWuhan 430074China Research Institute of Huazhong University of Science and Technology in Shenzhen Shenzhen 518057GuangdongChina

B2-CuZr phase reinforced amorphous alloy matrix composites has become one of the research hotspots in the field of materials science due to the“transformation-induced plasticity”phenomenon,which makes the composites show better macroscopic plastic deformability and obvious work-hardening behavior compared to the conventional amorphous alloy matrix composites reinforced with ductile ***,the in-situ metastable B2-CuZr phase tends to undergo eutectoid decomposition during solidification,and the volume fraction,size,and distribution of B2-CuZr phase are difficult to control,which limits the development and application of these *** date,much efforts have been made to solve the above problems through composition optimization,casting parameter tailoring,and post-processing *** this study,a review was given based on relevant studies,focusing on the predictive approach,reinforcing mechanism,and microstructure tailoring methods of B2-CuZr phase reinforced amorphous alloy matrix *** research focus and future prospects were also given for the future development of the present composite system.

关键词： amorphous alloy matrix composite B2-CuZr phase plasticity microstructure tailoring

Graphene/F_(16)CuPc synaptic transistor for the emulation of multiplexed neurotransmission

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Journal of Semiconductors 2025年第1期46卷 215-223页

作者： Zhipeng xu Yao Ni Mingxin Sun Yiming Yuan Ning wu Wentao xu Institute of Photoelectronic Thin Film Devices and Technology Key Laboratory of Photoelectronic Thin Film Devices and Technology of TianjinCollege of Electronic Information and Optical EngineeringEngineering Research Center of Thin Film Photoelectronic Technology of Ministry of EducationNankai UniversityTianjin 300350China Shenzhen Research Institute of Nankai University Shenzhen 518000China Smart Sensing Interdisciplinary Science Center Nankai UniversityTianjin 300350China School of Integrated Circuits Guangdong University of TechnologyGuangzhou 510006China

We demonstrate a bipolar graphene/F_(16)CuPc synaptic transistor(GFST)with matched p-type and n-type bipolar properties,which emulates multiplexed neurotransmission of the release of two excitatory neurotransmitters in graphene and F_(16)CuPc channels,*** process facilitates fast-switching plasticity by altering charge carriers in the separated *** complementary neural network for image recognition of Fashion-MNIST dataset was constructed using the matched relative amplitude and plasticity properties of the GFST dominated by holes or electrons to improve the weight regulation and recognition accuracy,achieving a pattern recognition accuracy of 83.23%.These results provide new insights to the construction of future neuromorphic systems.

关键词： synaptic transistor dual excitatory channels fast-switching plasticity multiplexed neurotransmission

Superhydrophobic and corrosion-resistant siloxane-modified MgAl-LDHs coatings on magnesium alloy prepared under mild conditions

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 450-463页

作者： Wenxi Zhang Zhangzelong Zhuo Dan xu Liang wu Zhihui Xie Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province College of Chemistry and Chemical EngineeringChina West Normal UniversityNanchong 637002China College of Materials Science and Engineering/National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China

We have developed a superhydrophobic and corrosion-resistant LDH-W/PFDTMS composite coating on the surface of Mg *** composite comprised a tungstate-intercalated(LDH-W)underlayer that was grown at low temperature(relative to hydrothermal reaction conditions)under atmospheric pressure and an outer polysiloxane layer created from a solution containing perfluorodecyltrimethoxysilane(PFDTMS)using a simple immersion *** successful intercalation of tungstate into the LDH phase and the following formation of the polysiloxane layer were confirmed through X-ray diffraction(XRD),Fourier transform infrared(FTIR)spectroscopy,and X-ray photoelectron spectroscopy(XPS).The corrosion resistance of the LDH-W film,both before and after the PFDTMS modification,was evaluated using electrochemical impedance spectroscopy(EIS),Tafel curves,and immersion *** results showed that Mg coated with LDH-W/PFDTMS exhibited significantly enhanced corrosion protection compared to the unmodified LDHW film,with no apparent signs of corrosion after exposure to 3.5wt%NaCl solution for 15 ***,the LDH-W/PFDTMS coating demonstrated superior superhydrophobicity and self-cleaning properties against water and several common beverages,as confirmed by static contact angle and water-repellency *** results offer valuable insights into preparing superhydrophobic and corrosion-resistant LDH-based composite coatings on Mg alloy surfaces under relatively mild reaction conditions.

关键词： Mg alloy corrosion coating layered double hydroxide

Optimizing frequency allocation for superconducting quantum processors with frequency-tunable qubits

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Science China(Physics,Mechanics & Astronomy) 2025年第2期68卷 23-36页

作者： Bi-Ying Wang wuxin Liu Xiangyu Chen shu xu Jiangyu Cui Man-Hong Yung Quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay Area(Guangdong) Shenzhen518129China Shenzhen Institute for Quantum Science and Engineering Southern University of Science and TechnologyShenzhen518055China International Quantum Academy Shenzhen518048China Guangdong Provincial Key Laboratory of Quantum Science and Engineering Southern University of Science and TechnologyShenzhen518055China Shenzhen Key Laboratory of Quantum Science and Engineering Southern University of Science and TechnologyShenzhen518055China

As superconducting quantum processors scale,a key challenge is maintaining high coherence times and fidelity control over numerous *** propose an automatic frequency allocation method for frequency-tunable qubits that equally considers coherence-limited fidelity and crosstalk-induced control errors during the allocation *** employing a weighted average of the objective functions for coherence time and crosstalk,we numerically calculate gate fidelity to establish an open-loop optimization for determining suitable weight *** results in an efficient objective function for frequency *** apply our method to frequency-tunable transmon qubits with tunable couplers,both theoretically and *** numerical results demonstrate significant advantages,including substantial reductions in gate errors and faster operation times,especially at higher qubit ***,our approach successfully achieves approximately 99.9%single-qubit fidelity on a nine-qubit chip.

关键词： frequency allocation transmon qubits superconducting processors

Least Square Estimation for Multiple Functional Linear Model with Autoregressive Errors

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Acta Mathematicae Applicatae Sinica 2025年第1期41卷 84-98页

作者： Meng WANG Ming-liang shu Jian-jun ZHOU Si-xin wu Min CHEN School of Management University of Science and Technology of ChinaHefei 230026China Academy of Mathematics and System Science Chinese Academy of SciencesBeijing 100190China Yunnan Key Laboratory of Statistical Modeling and Data Analysis Yunnan UniversityKunming 650091China

As an extension of linear regression in functional data analysis, functional linear regression has been studied by many researchers and applied in various fields. However, in many cases, data is collected sequentially over time, for example the financial series, so it is necessary to consider the autocorrelated structure of errors in functional regression background. To this end, this paper considers a multiple functional linear model with autoregressive errors. Based on the functional principal component analysis, we apply the least square procedure to estimate the functional coefficients and autoregression coefficients. Under some regular conditions, we establish the asymptotic properties of the proposed estimators. A simulation study is conducted to investigate the finite sample performance of our estimators. A real example on China's weather data is applied to illustrate the validity of our model.

关键词： multiple functional linear model autoregressive errors principal component analysis consistency

Simultaneous immobilization of multiple heavy metal(loid)s in contaminated water and alkaline soil inoculated Fe/Mn oxidizing bacterium

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Journal of Environmental Sciences 2025年第1期147卷 370-381页

作者： Yi wu Shengli Wang Jun xu Fei Zang Song Long Yining wu Yuqing Wang Zhongren Nan Technology Research Center for Pollution Control and Remediation of Northwest Soil and Groundwater College of Earth and Environmental SciencesLanzhou UniversityLanzhou 730000China State Key Laboratory of Grassland Agro-ecosystems College of Pastoral Agriculture Science and TechnologyLanzhou UniversityLanzhou 730000China

Two strains of Fe/Mn oxidizing bacteria tolerant to high concentrations of multiple heavy metal(loid)s and efficient decontamination for them were *** surface of the bio-Fe/Mn oxides produced by the oxidation of Fe(II)and Mn(II)by Pseudomonas taiwanensis(marked as P4)and Pseudomonas plecoglossicida(marked as G1)contains rich reactive oxygen functional groups,which play critical roles in the removal efficiency and immobilization of heavymetal(loid)s in co-contamination *** isolated strains P4 and G1 can growwell in the following environments:pH 5-9,NaCl 0-4%,and temperature 20-30℃.The removal efficiencies of Fe,Pb,As,Zn,Cd,Cu,and Mn are effective after inoculation of the strains P4 and G1 in the simulated water system(the initial concentrations of heavy metal(loid)were 1 mg/L),approximately reaching 96%,92%,85%,67%,70%,54%and 15%,*** exchangeable and carbonate bound As,Cd,Pb and Cu are more inclined to convert to the Fe-Mn oxide bound fractions in P4 and G1 treated soil,thereby reducing the phytoavailability and bioaccessible of heavy metal(loid)*** research provides alternatives method to treat water and soil containing high concentrations of multi-heavy metal(loid)s.

关键词： Bio-Fe/Mn oxides Pseudomonas Heavy metal(loid)s Removal and immobilization