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Discovering the ultralow thermal conductive A_(2)B_(2)O_(7)-type high-entropy oxides through the hybrid knowle dge-assiste d data-driven machine learning

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Journal of Materials Science & Technology 2024年第1期168卷 131-142页

作者： Ying Zhang Ke Ren William Yi Wang Xingyu Gao Ruihao Yuan Jun Wang Yiguang Wang Haifeng Song Xiubing Liang Jinshan Li State key laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Innovation Center NPU ChongqingChongqing 401135China Institute of Advanced Structure Technology Beijing Institute of TechnologyHaidian DistrictBeijing 100081China laboratory of Computational physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Defense Innovation Institute Academy of Military Sciences of the PLA of ChinaBeijing 100071China

Lattice engineering and distortion have been considered one kind of effective strategies for discovering advanced *** instinct chemical flexibility of high-entropy oxides(HEOs)motivates/accelerates to tailor the target properties through phase transformations and lattice ***,a hybrid knowledge-assisted data-driven machine learning(ML)strategy is utilized to discover the A_(2)B_(2)O_(7)-type HEOs with low thermal conductivity(κ)through 17 rare-earth(RE=Sc,Y,La-Lu)solutes optimized A-site.A designing routine integrating the ML and high throughput first principles has been proposed to predict the key physical parameter(KPPs)correlated to the targetedκof advanced *** the smart-designed 6188(5RE_(0.2))_(2)Zr_(2)O_(7)HEOs,the best candidates are addressed and validated by the princi-ples of severe lattice distortion and local phase transformation,which effectively reduceκby the strong multi-phonon scattering and weak interatomic ***,(Sc_(0.2)Y_(0.2)La_(0.2)Ce_(0.2)Pr_(0.2))_(2)Zr_(2)O_(7)with predictedκbelow 1.59 Wm^(−1)K^(−1)is selected to be verified,which matches well with the ex-perimentalκ=1.69 Wm^(−1)K^(−1)at 300 K and could be further decreased to 0.14 Wm^(−1)K^(−1)at 1473 ***,the coupling effects of lattice vibrations and charges on heat transfer are revealed by the cross-validations of various models,indicating that the weak bonds with low electronegativity and few bond-ing charge density and the lattice distortion(r∗)identified by cation radius ratio(r A/r B)should be the KPPs to decreaseκ*** work supports an intelligent designing strategy with limited atomic and electronic KPPs to accelerate the development of advanced multi-component HEOs with proper-ties/performance at multi-scales.

关键词： High-entropy oxides Thermal conductivity Pyrochlore key physical parameter First-Principles

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Deep learning approaches to recover the plasma current density profile from the safety factor based on Grad–Shafranov solutions across multiple tokamaks

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Plasma Science and Technology 2024年第5期26卷 17-28页

作者：张瀚予周利娜刘钺强郝广周王硕杨旭苗雨田段萍陈龙 College of Science Dalian Maritime UniversityDalian 116026People’s Republic of China General Atomics San Diego 92186-5608United States of America Southwestern Institute of physics Chengdu 610041People’s Republic of China chongqing key laboratory of Intelligent Perception and BlockChain Technology Chongqing Technology and Business UniversityChongqing 400067People’s Republic of China

Many magnetohydrodynamic stability analyses require generation of a set of equilibria with a fixed safety factor q-profile while varying other plasma parameters.A neural network(NN)-based approach is investigated that facilitates such a *** multilayer perceptron(MLP)-based NN and convolutional neural network(CNN)models are trained to map the q-profile to the plasma current density J-profile,and vice versa,while satisfying the Grad–Shafranov radial force balance *** the initial target models are trained,using a database of semianalytically constructed numerical equilibria,an initial CNN with one convolutional layer is found to perform better than an initial MLP *** particular,a trained initial CNN model can also predict the q-or J-profile for experimental tokamak *** performance of both initial target models is further improved by fine-tuning the training database,*** adding realistic experimental equilibria with Gaussian *** fine-tuned target models,referred to as fine-tuned MLP and fine-tuned CNN,well reproduce the target q-or J-profile across multiple tokamak *** an important application,these NN-based equilibrium profile convertors can be utilized to provide a good initial guess for iterative equilibrium solvers,where the desired input quantity is the safety factor instead of the plasma current density.

关键词： plasma equilibrium deep learning safety factor profile current density profile tokamak

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Superhydrophobic melamine sponge prepared by radiation-induced grafting technology for efficient oil-water separation

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Nuclear Science and Techniques 2024年第9期35卷 103-114页

作者： Ying Sun Wen-Rui Wang Dan-Yi Li Si-Yi Xu Lin Lin Man-Li Lu Kai Fan Chen-Yang Xing Lin-Fan Li Ji-Hao Li Shanghai Institute of Applied physics Chinese Academy of SciencesShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China School of Architecture and Materials Chongqing College of Electronic EngineeringChongqing 401331China Center for Stretchable Electronics and NanoSensors Key Laboratory of Optoelectronic Devices and Systems of Ministry of EducationCollege of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China

This paper presents a superhydrophobic melamine(ME)sponge(ME-g-PLMA)prepared via high-energy radiation-induced in situ covalent grafting of long-alkyl-chain dodecyl methacrylate(LMA)onto an ME sponge for efficient oil–water *** obtained ME-g-PLMA sponge had an excellent pore structure with superhydrophobic(water contact angle of 154°)and superoleophilic *** can absorb various types of oils up to 66–168 times its *** ME-g-PLMA sponge can continuously separate oil slicks in water by connecting a pump or separating oil underwater with a gravity-driven *** addition,it maintained its highly hydrophobic properties even after long-term immersion in different corrosive solutions and repeated oil *** modified ME-g-PLMA sponge exhibited excellent separation properties and potential for oil spill cleanup.

关键词： Radiation-induced graft polymerization Oil–water separation Sponge Superhydrophobic

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Recent advancements in thermal conductivity of magnesium alloys

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Journal of Magnesium and Alloys 2024年第5期12卷 1687-1708页

作者： Hao Lv Jun Tan Qian Yuan Fanglei Wang Yunxuan Zhou Quan Dong Aitao Tang Jürgen Eckert Bin Jiang Fusheng Pan National Engineering Research Center for Magnesium Alloys College of Materials Science and EngineeringChongqing UniversityChongqing 400044China National key laboratory of Advanced Casting Technologies Chongqing UniversityChongqing 400044China Department of Materials Science Chair of Materials PhysicsMontanuniversität LeobenJahnstraße 12Leoben A-8700Austria Erich Schmid Institute of Materials Science Austrian Academy of SciencesJahnstraße 12Leoben A-8700Austria

As highly integrated circuits continue to advance,accompanied by a growing demand for energy efficiency and weight reduction,materials are confronted with mounting challenges pertaining to thermal conductivity and lightweight *** virtue of numerous intrinsic mechanisms,as a result,the thermal conductivity and mechanical properties of the Mg alloys are often inversely related,which becomes a bottleneck limiting the application of Mg *** on several effective modification methods to improve the thermal conductivity of Mg alloys,this paper describes the law of how they affect the mechanical properties,and clearly indicates that peak aging treatment is one of the best ways to simultaneously enhance an alloy's thermal conductivity and mechanical *** the most frequently used Mg alloy,cast alloys exhibit substantial potential for achieving high thermal ***,recent reports indicate that hot deformation can significantly improve the mechanical properties while maintaining,and potentially slightly enhancing,the alloy's thermal *** presents a meaningful way to develop Mg alloys for applications in the field of small-volume heat dissipation components that require high *** comprehensive review begins by outlining standard testing and prediction methods,followed by the theoretical models used to predict thermal conductivity,and then explores the primary influencing factors affecting thermal *** review summarizes the current development status of Mg alloys,focusing on the quest for alloys that offer both high thermal conductivity and high *** concludes by providing insights into forthcoming prospects and challenges within this field.

关键词： Mg alloy Thermal conductivity Mechanical properties Solute atom Second phase

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Disorder-to-order transition induced by spontaneous cooling regulation in robotic active matter

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Chinese physics B 2024年第7期33卷 96-103页

作者：侯帅旭王高马星宇汪楚云王鹏陈怀城刘雳宇王璟 chongqing key laboratory of Soft Condensed Matter physics and Smart Materials College of PhysicsChongqing UniversityChongqing 401331China Wenzhou Institute University of Chinese Academy of SciencesWenzhou 325011China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China School of Ophthalmology and Optometry Eye HospitalSchool of Biomedical EngineeringWenzhou Medical UniversityWenzhou 325035China Postgraduate Training Base Alliance Wenzhou Medical UniversityWenzhou 325035China

In classical matter systems, typical phase-transition phenomena usually stem from changes in state variables, such as temperature and pressure, induced by external regulations such as heat transfer and volume adjustment. However, in active matter systems, the self-propulsion nature of active particles endows the systems with the ability to induce unique collectivestate transitions by spontaneously regulating individual properties to alter the overall states. Based on an innovative robot-swarm experimental system, we demonstrate a field-driven active matter model capable of modulating individual motion behaviors through interaction with a recoverable environmental resource field by the resource perception and *** the simulated model, by gradually reducing the individual resource-conversion coefficient over time, this robotic active matter can spontaneously decrease the overall level of motion, thereby actively achieving a regulation behavior like the cooling-down control. Through simulation calculations, we discover that the spatial structures of this robotic active matter convert from disorder to order during this process, with the resulting ordered structures exhibiting a high self-adaptability on the geometry of the environmental boundaries.

关键词： active matter robot swarm collective-state transitions environmental self-adaptability

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Orbital-Ordering Driven Simultaneous Tunability of Magnetism and Electric Polarization in Strained Monolayer VCl_(3)

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Chinese physics Letters 2024年第4期41卷 126-131页

作者：郭的坪王聪王侣锦陆赟豪吴骅张妍宁季威 Beijing key laboratory of Optoelectronic Functional Materials&Micro-Nano Devices Department of PhysicsRenmin University of ChinaBeijing 100872China key laboratory of Quantum State Construction and Manipulation(Ministry of Education) Renmin University of ChinaBeijing 100872China Zhejiang Province key laboratory of Quantum Technology and Device State Key Laboratory of Silicon MaterialsDepartment of PhysicsZhejiang UniversityHangzhou 310027China laboratory for Computational Physical Sciences(MOE) State Key Laboratory of Surface Physicsand Department of PhysicsFudan UniversityShanghai 200433China Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China

Two-dimensional(2D)van der Waals magnetic materials have promising and versatile electronic and magnetic properties in the 2D limit,indicating a considerable potential to advance spintronic *** predictions thus far have not ascertained whether monolayer VCl_(3) is a ferromagnetic(FM)or anti-FM monolayer;this also remains to be experimentally *** theoretically investigate the influence of potential factors,including C_(3) symmetry breaking,orbital ordering,epitaxial strain,and charge doping,on the magnetic ground *** first-principles calculations,we predict a collinear type-Ⅲ FM ground state in monolayer VCl_(3) with a broken C_(3) symmetry,wherein only the former two of three t_(2g)orbitals(a_(1g),e_(g2)^(π)and e_(g1)^(π))are *** atomic layer thickness and bond angles of monolayer VCl_(3) undergo abrupt changes driven by an orbital ordering switch,resulting in concomitant structural and magnetic phase *** doping to the underlying Cl atoms of monolayer VCl_(3) without C_(3) symmetry simultaneously induces in-and out-of-plane *** can achieve a multiferroic phase transition if combined with the discovered adjustments of magnetic ground state and polarization magnitude under *** establishment of an orbital-ordering driven regulatory mechanism can facilitate deeper exploration and comprehension of magnetic properties of strongly correlated systems in monolayer VCl_(3).

关键词： monolayer symmetry orbital

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physics-informed optimization for a data-driven approach in landslide susceptibility evaluation

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第8期16卷 3192-3205页

作者： Songlin Liu Luqi Wang Wengang Zhang Weixin Sun Yunhao Wang Jianping Liu School of Civil Engineering Chongqing UniversityChongqing400045China key laboratory of New Technology for Construction of Cities in Mountain Area Chongqing UniversityMinistry of EducationChongqing400045China National Joint Engineering Research Center of Geohazards Prevention in the Reservoir Areas Chongqing UniversityChongqing400045China chongqing Field Scientific Observation Station for Landslide Hazards in Three Gorges Reservoir Area Chongqing UniversityChongqing400045China chongqing Mingfeng Construction Engineering Co. LtdChongqing405800China

Landslide susceptibility mapping is an integral part of geological hazard ***,the emphasis of many studies has been on data-driven models,notably those derived from machine learning,owing to their aptitude for tackling complex non-linear ***,the prevailing models often disregard qualitative research,leading to limited interpretability and mistakes in extracting negative samples,*** non-landslide *** this study,Scoops 3D(a three-dimensional slope stability analysis tool)was utilized to conduct a qualitative assessment of slope stability in the Yunyang section of the Three Gorges Reservoir *** depth of the bedrock was predicted utilizing a Convolutional Neural Network(CNN),incorporating local boreholes and building on the insights from prior *** Random Forest(RF)algorithm was subsequently used to execute a data-driven landslide susceptibility *** proposed methodology demonstrated a notable increase of 29.25%in the evaluation metric,the area under the receiver operating characteristic curve(ROC-AUC),outperforming the prevailing benchmark ***,the landslide susceptibility map generated by the proposed model demonstrated superior *** result not only validates the effectiveness of amalgamating mathematical and mechanistic insights for such analyses,but it also carries substantial academic and practical implications.

关键词： physics-informed Machine learning Bedrock depth Scoops 3D Landslide susceptibility

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Geant4 simulation of fast-electron bremsstrahlung imaging at the HL-3 tokamak

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Nuclear Science and Techniques 2024年第09期 169-185页

作者： Shi-Kui Cheng Yi-Po Zhang Yue-Jiang Shi Jie Zhang Shuai Guan Hong-Bing Xu Qiu-Lei Yang College of Science Chongqing University of Technology chongqing key laboratory of New Energy Storage Materials and Devices Southwestern Institute of physics Hebei key laboratory of Compact Fusion ENN Science and Technology Development Co. Ltd.

To further research on high-parameter plasma, we plan to develop a two-dimensional hard X-ray (HXR) imaging system at the HL-3 tokamak to measure HXRs with energies ranging from 20 to 300 keV. The application of an array-structured detector ensures that this system can measure HXR-radiation spectra from the entire plasma cross section. Therefore, it is suitable for the study of fast-electron physics, such as radio-frequency wave current drives, fast electrons driving instabilities, and plasma disruptions in fusion research. In this study, we develop a simulation for calculating fast-electron bremsstrahlung in the HL-3 tokamak based on the Monte Carlo simulation code Geant4, in which the plasma geometry and forward scattering of fast-electron bremsstrahlung are considered. The preliminary calculation results indicate that the HXR energy deposition on the detector is symmetrically distributed, even though the plasma distribution is asymmetric owing to the toroidal effect. These simulation results are helpful in constructing the relationship between the energy deposition on the detector and parameter distribution on the plasma cross section during HL-3 experiments. This is beneficial for the reconstruction of the fast-electron-distribution function and for optimizing the design of the HXR-imaging system.

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Low palladium content CeO_(2)/ZnO composite for acetone sensor with sub-second response prepared by ultrasonic method

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Journal of Central South University 2024年第7期31卷 2137-2149页

作者： CHEN Xu-jie XING Qiao-ling TANG Xuan CAI Yong ZHANG Ming Hunan Provincial key laboratory of Low-dimensional Structural physics&Devices School of Physics and ElectronicsHunan UniversityChangsha 410082China Changsha Semiconductor Technology and Application Innovation Research Institute College of Semiconductors(College of Integrated Circuits)Hunan UniversityChangsha 410082China School of Mechanical Engineering and Mechanics Xiangtan UniversityXiangtan 411105China Research Institute of Hunan University in chongqing Chongqing 401120China Engineering Research Center of Advanced Semiconductor Technology and Application of Ministry of Education&key laboratory for Micro-/Nano-Optoelectronic Devices of Ministry of Education National Key Laboratory of Power Semiconductor and Integration TechnologyCollege of Semiconductors(College of Integrated Circuits)Hunan UniversityChangsha 410082China

In practical applications,noble metal doping is often used to prepare high performance gas sensors,but more noble metal doping will lead to higher preparation *** this study,CeO_(2)/ZnO-Pd with low palladium content was prepared by ultrasonic method with fast response and high selectivity for acetone *** the same amount of palladium added,the selectivity coefficient of CeO_(2)/ZnO-Pd is 1.88 times higher than that of the stirred *** with the pure PdO-doped CeO_(2)/ZnO-PdO material,the content of Pd in CeO_(2)/ZnO-PdO is about 30%of that in CeO_(2)/ZnO-PdO,but the selectivity coefficient for acetone is 2.56 times *** CeO_(2)/ZnO-Pd sensor has a higher response(22.54)to 50×10^(−6) acetone at 300℃and the selectivity coefficient is 2.57 times that of the CeO_(2)/ZnO *** sensor has a sub-second response time(0.6 s)and still has a 2.36 response to 330×10^(−9) of *** doping makes Pd particles smaller and increases the contact area with ***,the composition of n-p-n heterojunction and the synergistic effect of Pd/PdO improve the sensor *** shows that ultrasonic Pd doping provides a way to improve the utilization rate of doped metals and prepare highly selective gas sensors.

关键词： low palladium sub-second responce ultrasonic method acetone sensor heterojunction

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Enhancing visible-light-driven NO oxidation through molecular‐level insights of dye-loaded sea sands

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Rare Metals 2024年第2期43卷 543-554页

作者： Yu-Han Li Bang-Fu Chen Sónia A.C.Carabineiro You-Yu Duan Ping Tan Wing-Kei Ho Fan Dong Engineering Research Center for Waste Oil Recovery Technology and Equipment Ministry of EducationChongqing Key Laboratory of Catalysis and New Environmental MaterialsChongqing Technology and Business UniversityChongqing400067China Nanchang Institute of Technology Nanchang33044China LAQV-REQUIMTE Department of ChemistryNOVA School of Science and TechnologyUniversidade NOVA de Lisboa2829-516CaparicaPortugal College of physics and Center of Quantum Materials and Devices Chongqing UniversityChongqing401331China Department of Science and Environmental Studies The Education University of Hong KongHong Kong999077China

Natural minerals,abundant and easily obtained through simple physical processing,offer a cost-effective and environmentally friendly solution for dyeing wastewater disposal and air pollution *** study investigates the photocatalytic removal of NO using natural different types of dyes,loaded on natural sand,under visible light *** examining various coating concentrations of dyes and sand weights,we discovered that sand loaded with Rhodamine B(RhB)exhibits high activity for the photo-oxidation of NO.A combination results of X-ray diffraction(XRD),X-ray photoelectron spectroscopy(XPS),Fourier transform infrared spectroscopy(FTIR)and thermogravimetric(TG)analyses confirm the presence of SiO_(2),CaCO_(3),Al_(2)O_(3)and iron oxides as the main components of the ***,studying RhB-loaded individual components reveals that CaCO_(3)plays a crucial role in enhancing the NO removal *** results and theoretical calculations demonstrate the establishment of a directional charge transfer channel from CaCO_(3)to RhB,facilitating the adsorption and activation of molecular NO and O_(2).This work not only promotes the utilization of natural mineral resources but also enriches the fields of environmental photochemistry and semiconductor photocatalysis.

关键词： Sand dyes Rhodamine B Photo-oxidation of NO Visible light illumination

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