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Surrogate modeling for unsaturated infiltration via the physics and equality-constrained artificial neural networks

Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2282-2295页

作者： Peng Lan Jingjing Su Sheng Zhang School of Civil Engineering Central South UniversityChangsha410075China discipline of Civil Surveying and Environmental EngineeringPriority Research Centre for Geotechnical Science and EngineeringThe University of NewcastleCallaghanNSW2308Australia Qinghai University Qinghai810016China

Machine learning(ML)provides a new surrogate method for investigating groundwater flow dynamics in unsaturated *** pure data-driven methods(*** neural network,DNN)can provide rapid predictions,but they do require sufficient on-site data for accurate training,and lack interpretability to the physical processes within the *** this paper,we provide a physics and equalityconstrained artificial neural network(PECANN),to derive unsaturated infiltration solutions with a small amount of initial and boundary *** takes the physics-informed neural network(PINN)as a foundation,encodes the unsaturated infiltration physical laws(*** equation,RE)into the loss function,and uses the augmented Lagrangian method to constrain the learning process of the solutions of RE by adding stronger penalty for the initial and boundary *** unsaturated infiltration cases are designed to test the training performance of PECANN,***-dimensional(1D)steady-state unsaturated infiltration,1D transient-state infiltration,two-dimensional(2D)transient-state infiltration,and 1D coupled unsaturated infiltration and *** predicted results of PECANN are compared with the finite difference solutions or analytical *** results indicate that PECANN can accurately capture the variations of pressure head during the unsaturated infiltration,and present higher precision and robustness than DNN and *** is also revealed that PECANN can achieve the same accuracy as the finite difference method with fewer initial and boundary training ***,we investigate the effect of the hyperparameters of PECANN on solving RE *** provides an effective tool for simulating unsaturated infiltration.

关键词： Richards equation(RE) Unsaturated infiltration Data-driven solutions Numerical modeling Machine learning(ML)

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Effect of Vacancy Defects on the Properties of CoS_(2) and FeS_(2)

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Journal of Wuhan University of Technology(Materials Science) 2024年第3期39卷 627-638页

作者：冯中营 ZHANG Jianmin WANG Xiaowei YANG Wenjin JING Yinlan YANG Yan Department of Science Taiyuan Institute of TechnologyTaiyuan 030008China Computational physics Research Center Taiyuan In-stitute of TechnologyTaiyuan 030008China College of physics and Information Technology Shaanxi Normal UniversityXi’an 710119China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China Department of physics College of ScienceNorth University of ChinaTaiyuan 030051China

In order to explore the effect of vacancy defects on the structural,electronic,magnetic and optical properties of CoS_(2) and FeS_(2),first-principles calculation method was used to investigate the *** calculated results of materials without vacancy are consistent with those reported in the literatures,while the results of materials with vacancy defect were different from those of literatures due to the difference vacancy *** Co vacancy defect hardly changes the half-metallic characteristic of CoS_(2).The Fe vacancy defect changes FeS_(2) from semiconductor to half-metal,and the bottom of the spin-down conduction band changes from the p orbital state of S to the d(t_(2g))orbital state of Fe,while the top of the valence band remains the d orbital d(eg)state of *** half-metallic Co vacancy defects of CoS_(2) and Fe vacancy defects of FeS_(2) are expected to be used in spintronic devices.S vacancy defects make both CoS_(2) and FeS_(2) *** the Co and S vacancy defects lead to the decrease of the magnetic moment of CoS_(2),while both the Fe and S vacancy defects lead to the obvious magnetic property of FeS_(2).Vacancy defects enhance the absorption coefficient of infrared band and long band of visible light obviously,and produce obvious red shift phenomenon,which is expected to be used in photoelectric devices.

关键词： cobalt disulfide iron disulfide vacancy defect fist principles

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Dielectric barrier discharge plasma-assisted catalytic ammonia synthesis:synergistic effect of Ni-MOF-74 catalyst and nanosecond pulsed plasma

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Plasma Science and Technology 2024年第6期26卷 40-49页

作者：徐晓芳孙萌宋勤龙吴璇陈冲冲陈强张海宝 Laboratory of Plasma physics and Materials Beijing Institute of Graphic CommunicationBeijing 102600People’s Republic of China

Ammonia is one of the most important chemical raw materials in both manufacture and life of *** Haber-Bosch method for ammonia synthesis involves high temperature and high pressure conditions,leading to significant energy consumption and environmental ***-thermal plasma(NTP) is a promising alternative approach to ammonia synthesis at low temperature and atmospheric *** this study,the synergistic effect of nanosecond pulsed dielectric barrier discharge(np-DBD) and Ni-MOF-74 catalyst was investigated in ammonia synthesis by utilizing nitrogen and hydrogen as *** results demonstrated that the plasma catalytic-synthesis process parameters play a crucial role in the synthesis process of *** highest ammonia synthesis rate of 5145.16 μmol·g^(-1)·h^(-1)with an energy efficiency of 1.27 g·kWh^(-1)was observed in the presence of the Ni-MOF-74 catalyst,which was3.7 times higher than that without Ni-MOF-74 *** synergistic effect of Ni-MOF-74catalyst and nanosecond pulsed plasma was explored by in-situ plasma discharge diagnostics.

关键词： ammonia synthesis low-temperature plasma nanosecond pulsed power source Ni-MOF-74

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Two-dimensional materials for future information technology: status and prospects

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Science China(Information Sciences) 2024年第6期67卷 1-147页

作者： Hao QIU Zhihao YU Tiange ZHAO Qi ZHANG Mingsheng XU Peifeng LI Taotao LI Wenzhong BAO Yang CHAI Shula CHEN Yiqi CHEN Hui-Ming CHENG Daoxin DAI Zengfeng DI Zhuo DONG Xidong DUAN Yuhan FENG Yu FU Jingshu GUO Pengwen GUO Yue HAO Jun HE Xiao HE Jingyi HU Weida HU Zehua HU Xinyue HUANG Ziyang HUANG Ali IMRAN Ziqiang KONG Jia LI Qian LI Weisheng LI Lei LIAO Bilu LIU Can LIU Chunsen LIU Guanyu LIU Kaihui LIU Liwei LIU Sheng LIU Yuan LIU Donglin LU Likuan MA Feng MIAO Zhenhua NI Jing NING Anlian PAN Tian-Ling REN Haowen SHU Litao SUN Yue SUN Quanyang TAO Zi-Ao TIAN Dong WANG Hao WANG Haomin WANG Jialong WANG Junyong WANG Wenhui WANG Xingjun WANG Yeliang WANG Yuwei WANG Zhenyu WANG Yao WE... School of Electronic Science and Engineering Nanjing University School of Integrated Circuits Interdisciplinary Research Center for Future Intelligent Chips (Chip-X)Nanjing University School of Integrated Circuit Science and Engineering Nanjing University of Posts and Telecommunications State Key Laboratory of Infrared physics Shanghai Institute of Technical Physics Chinese Academy of Sciences School of physics and Key Lab of Quantum Materials and Devices of the Ministry of Education School of Electronic Science & EngineeringSoutheast University College of Integrated Circuits State Key Laboratory of Silicon and Advanced Semiconductor MaterialsZhejiang University Suzhou Laboratory State Key Laboratory of Integrated Chips and Systems School of MicroelectronicsFudan University Shaoxin Laboratory Department of Applied physics The Hong Kong Polytechnic University Key Laboratory for Micro-Nano physics and Technology of Hunan Province College of Materials Science and EngineeringHunan University College of Integrated Circuits Zhejiang University Shenzhen Geim Graphene Center Shenzhen Key Laboratory of Layered Materials for Value-Added ApplicationsTsinghua-Berkeley Shenzhen Institute & Institute of Materials ResearchTsinghua Shenzhen International Graduate SchoolTsinghua University State Key Laboratory of Extreme Photonics and Instrumentation College of Optical Science and EngineeringInternational Research Center for Advanced PhotonicsZijingang CampusZhejiang University National Key Laboratory of Materials for Integrated Circuits Shanghai Institute of Microsystem and Information TechnologyChinese Academy of Sciences CAS Key Laboratory of Nanophotonic Materials and Devices & Key Laboratory of Nanodevices and Applications i-LabSuzhou Institute of Nano-Tech and Nano-Bionics (SINANO)Chinese Academy of Sciences College of Chemistry and Chemical Engineering Hunan University Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education) Department of PhysicsRenmin University of China School

Over the past 70 years, the semiconductor industry has undergone transformative changes,largely driven by the miniaturization of devices and the integration of innovative structures and materials. Two-dimensional(2D) materials like transition metal dichalcogenides(TMDs) and graphene are pivotal in overcoming the limitations of silicon-based technologies, offering innovative approaches in transistor design and functionality, enabling atomic-thin channel transistors and monolithic 3D integration. We review the important progress in the application of 2D materials in future information technology, focusing in particular on microelectronics and optoelectronics. We comprehensively summarize the key advancements across material production, characterization metrology, electronic devices, optoelectronic devices, and heterogeneous integration on silicon. A strategic roadmap and key challenges for the transition of 2D materials from basic research to industrial development are outlined. To facilitate such a transition, key technologies and tools dedicated to 2D materials must be developed to meet industrial standards, and the employment of AI in material growth, characterizations, and circuit design will be essential. It is time for academia to actively engage with industry to drive the next 10 years of 2D material research.

关键词： two-dimensional (2D) materials information technology production technology standardization of characterization microelectronicdevices optoelectronic devices multi-functional integration

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Enhanced visible-light photocatalytic hydrogen evolution using two-dimensional carbon nitride sheets with the removal of amine groups

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Chinese Chemical Letters 2024年第2期35卷 446-450页

作者： Yu Zhang Liting Wu Shaopeng Wang Dingyi Yang Huan Liang Yizhang Wu Jian Hao Youqing Wang Jianke Liu Yong Wang Department of physics Shaanxi University of Science and TechnologyXi'an 710021China School of Advanced Materials and Nanotechnology Academy of Advanced Interdisciplinary ResearchXidian UniversityXi'an 710126China The State Key discipline Laboratory of Wide Band Gap Semiconductor Technology Xidian UniversityXi'an 710126China Collaborative Innovation Center of Advanced Microstructures National Laboratory of Solid State MicrostructuresNanjing UniversityNanjing 210093China State Key Laboratory of High-Efficiency Utilization of Coal and Green Chemical Engineering Ningxia UniversityYinchuan 750021China

Two-dimensional(2D)carbon nitride sheets(CNs)with atomically thin structures are regarded as one of the most promising materials for solar energy ***,due to their substantially enlarged bandgap caused by the strong quantum size effect and their incomplete polymerisation with a large number of non-condensed surface amino groups,the practical applicability of CNs in photocatalysis is *** this study,CNs with broad visible-light absorption were synthesised using a 5-min fast thermal *** removal of uncondensed amine groups reduces the bandgap of CNs from 3.06 eV to 2.60 eV,increasing their absorption of visible ***,the CNs were distorted after annealing,which can differentiate the spatial positions of electrons and holes,enhancing the visible-light absorption *** a result,when exposed to visible light,the photocatalytic hydrogen production activity of atomically thin 2D CNs rose by 8.38 *** research presents a dependable and speedy method for creating highly effective visible-light photocatalysts with narrowed bandgaps and improved visible-light absorption.

关键词： 2D carbon nitride sheets Rapid thermal annealing DFT calculations Visible-light absorption visible-light photocatalysis

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Negative enthalpy alloys and local chemical ordering:a concept and route leading to synergy of strength and ductility

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National Science Review 2024年第4期11卷 172-184页

作者： Zibing An Tao Yang Caijuan Shi Shengcheng Mao Lihua Wang Ang Li Wei Li Xianmeng Xue Ming Sun Yifan Bai Yapeng He Fuzeng Ren Zhouguang Lu Ming Yan Yang Ren Chain-Tsuan Liu Ze Zhang Xiaodong Han Beijing Key Lab of Microstructure and Property of Advanced Materials College of Materials Science &Engineering Beijing University of Technology Department of Materials Science and Engineering City University of Hong Kong Key Laboratory of Partial Acceleration physics& Technology Institute of High Energy PhysicsChinese Academy of Sciences Department of Materials Science &Engineering Southern University of Science and Technology Department of physics City University of Hong Kong State Key Laboratory of Silicon Materials Department of Materials Science and Engineering Zhejiang University

Solid solutions are ubiquitous in metals and alloys. Local chemical ordering(LCO) is a fundamental sub-nano/nanoscale process that occurs in many solid solutions and can be used as a microstructure to optimize strength and ductility. However, the formation of LCO has not been fully elucidated, let alone how to provide efficient routes for designing LCO to achieve synergistic effects on both superb strength and ductility. Herein, we propose the formation and control of LCO in negative enthalpy alloys. With engineering negative enthalpy in solid solutions, genetic LCO components are formed in negative enthalpy refractory high-entropy alloys(RHEAs). In contrast to conventional ‘trial-and-error' approaches, the control of LCO by using engineering negative enthalpy in RHEAs is instructive and results in superior strength(1160 MPa) and uniform ductility(24.5%) under tension at ambient temperature, which are among the best reported so far. LCO can promote dislocation cross-slip, enhancing the interaction between dislocations and their accumulation at large tensile strains; sustainable strain hardening can thereby be attained to ensure high ductility of the alloy. This work paves the way for new research fields on negative enthalpy solid solutions and alloys for the synergy of strength and ductility as well as new functions.

关键词： negative enthalpy alloys local chemical ordering strength ductility dislocation

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Effect of antenna helicity on discharge characteristics of helicon plasma under a divergent magnetic field

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Plasma Science and Technology 2024年第6期26卷 50-59页

作者：孙萌徐晓芳王陈文尹贤轶陈强张海宝 Laboratory of Plasma physics and Materials School of Printing and Packaging EngineeringBeijing Institute of Graphic CommunicationBeijing 102600People’s Republic of China

The characteristics of the blue core phenomenon observed in a divergent magnetic field helicon plasma are investigated using two different helical antennas, namely right-handed and lefthanded helical antennas. The mode transition, discharge image, spatial profiles of plasma density and electron temperature are diagnosed using a Langmuir probe, a Nikon D90 camera,an intensified charge-coupled device camera and an optical emission spectrometer, *** results demonstrated that the blue core phenomenon appeared in the upstream region of the discharge tube at a fixed magnetic field under both helical antennas. However, it is more likely to appear in a right-handed helical antenna, in which the plasma density and ionization rate of the helicon plasma are higher. The spatial profiles of the plasma density and electron temperature are also different in both axial and radial directions for these two kinds of helical antenna. The wavelength calculated based on the dispersion relation of the bounded whistler wave is consistent with the order of magnitude of plasma length. It is proved that the helicon plasma is part of the wave mode discharge mechanism.

关键词： helicon plasma non-uniform magnetic field helical antenna blue core discharge mechanism

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Entanglement dynamics in κ-deformed spacetime

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Science China(physics,Mechanics & Astronomy) 2024年第10期67卷 33-54页

作者： Xiaobao Liu Zehua Tian Jiliang Jing Department of physics and Electrical Engineering Liupanshui Normal UniversityLiupanshui 553004China School of physics Hangzhou Normal UniversityHangzhou 311121China CAS Key Laboratory of Microscale Magnetic Resonance and School of Physical Sciences University of Science and Technology of ChinaHefei 230026China Department of physics Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of EducationSynergetic Innovation Center for Quantum Effects and ApplicationsHunan Normal UniversityChangsha 410081China

We treat two identical and mutually independent two-level atoms that are coupled to a quantum field as an open quantum *** master equation that governs their evolution is derived by tracing over the degree of freedom of the *** this,we compare the entanglement dynamics of the two atoms moving with different trajectories inκ-deformed and Minkowski ***,when the environment-induced interatomic interaction does not exist,the entanglement dynamics of two static atoms inκ-deformed spacetime are reduced to that in Minkowski spacetime in the case that the spacetime deformation parameterκis sufficiently large as theoretically ***,if the atoms undergo relativistic motion,regardless of whether inertial or non-inertial,their entanglement dynamics inκ-deformed spacetime behave differently from that in Minkowski spacetime even whenκis *** investigate various types of entanglement behavior,such as decay and generation,and discuss how different relativistic motions,such as uniform motion in a straight line and circular motion,amplify the differences in the entanglement dynamics between theκ-deformed and Minkowski spacetime *** addition,when the environment-induced interatomic interaction is considered,we find that it may also enhance the differences in the entanglement dynamics between these two ***,in principle,one can tell whether she/he is inκ-deformed or Minkowski spacetime by checking the entanglement behavior between two atoms in certain circumstances.

关键词： quantum entanglement -deformed spacetime relativistic motion environment-induced interatomic interaction quan-tum field theory in curved spacetime

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Stochastic resonance of spinor condensates in optical cavity

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Science China(physics,Mechanics & Astronomy) 2024年第3期67卷 80-87页

作者： Zheng-Chun Li Bixuan Fan Lu Zhou Weiping Zhang School of physics and Astronomy and Tsung-Dao Lee InstituteShanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Precision Spectroscopy School of Physics and Electronic ScienceEast China Normal UniversityShanghai 200241China College of physics and Communication Electronics Jiangxi Normal UniversityNanchang 330022China Shanghai Branch Hefei National LaboratoryShanghai 201315China Shanghai Research Center for Quantum Sciences Shanghai 201315China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China

Stochastic resonance is a phenomenon in which adding random noise to a system enhances the detection or transmission of a weak signal. It occurs when the noise interacts with the system's nonlinearity, thus improving signal-to-noise ratio and increasing sensitivity. Although parametric resonances in an atomic spinor Bose-Einstein condensate have been investigated, the question of whether one can observe stochastic resonance in such a system persists. In this study we propose a scheme for generating stochastic resonance in a cavity-spinor Bose-Einstein condensate coupling system. We demonstrate stochastic resonance through numerical calculations using the mean-field theory and truncated Wigner approximation methods. Furthermore, the characteristics of the system's response to noise and periodic signals are studied in detail. This study unravels a new scheme for observing stochastic resonance via linking atomic many-body physics with cavity quantum electrodynamics.

关键词： spinor condensate stochastic resonance optical cavity

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Early and Sensitive Detection of Pathogens for Public Health and Biosafety:An Example of Surveillance and Genotyping of SARS-CoV-2 in Sewage Water by Cas12a-Facilitated Portable Plasmonic Biosensor

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Research 2024年第2期2023卷 259-272页

作者： Tianzhong Li Yuzhi Chen Zhi Chen Yuan Hao Minyi Liang Yingxia Liu Guanyong Ou Huanian Zhang Yuxuan Tang Yabing Hao Swelm Wageh Omar AAl-Hartomy Abul Kalam Bin Zhang Xin Shi Xuejin Li Han Zhang College of physics and Optoelectronic Engineering Institute of Translational MedicineDepartment of OtolaryngologyShenzhen Second People's HospitalFirst Affiliated Hospital of Shenzhen UniversityHealth Science CenterShenzhen UniversityShenzhen 518060China Shenzhen Key Laboratory of Sensor Technology Shenzhen 518060China The Sixth Affiliated Hospital of Guangzhou Medical University Qingyuan People's HospitalQingyuan 511518China Shenzhen Key Laboratory of Pathogen and Immunity National Clinical Research Center for Infectious DiseaseState Key Discipline of Infectious DiseaseShenzhen Third People's HospitalSecond Hospital Affiliated to Southern University of Science and TechnologyShenzhen 518112China School of Medicine Southern University of Science and TechnologyShenzhen 518055China School of physics and Optoelectronic Engineering Shandong University of TechnologyZibo 255049China Department of physics Faculty of ScienceKing Abdulaziz University Jeddah 21589Saudi Arabia Research Center for Advanced Materials Science(RCAMS) King Khalid UniversityP.0.Box 9004Abha 61413Saudi Arabia Department of Chemistry College of ScienceKing Khalid UniversityP.0.Box9004Abha 61413 Saudi Arabia Health Sciences Institute China Medical UniversityShenyang 110000China The Chinese University of Hong Kong Shenzhen 518060China

Infectious diseases severely threaten public health and global *** addition to transmission through the air,pathogenic microorganisms have also been detected in environmental liquid samples,such as sewage *** biochemical detection methodologies are time-consuming and cost-ineffective,and their detection limits hinder early *** the present study,ultrafine plasmonic fiber probes with a diameter of 125μm are fabricated for clustered regularly interspaced short palindromic repeats/CRISPR-associated protein(CRISPR/Cas)-12a-mediated sensing of severe acute respiratory syndrome coronavirus 2(SARS-CoV-2).Single-stranded DNA exposed on the fiber surface is trans-cleaved by the Cas12a enzyme to release gold nanoparticles that are immobilized onto the fiber surface,causing a sharp reduction in the surface plasmon resonance(SPR)*** proposed fiber probe is virus-specific with the limit of detection of~2,300 copies/ml,and genomic copy numbers can be reflected as shifts in wavelengths.A total of 21 sewage water samples have been examined,and the data obtained are consistent with those of quantitative polymerase chain reaction(qPCR).In addition,the Omicron variant and its mutation sites have been fast detected using S gene-specific *** study provides an accurate and convenient approach for the real-time surveillance of microbial contamination in sewage water.

关键词： fiber consuming hinder

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