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Dynamical phase-field model of cavity electromagnonic systems

npj Computational materials 2024年第1期10卷 1263-1273页

作者： Shihao Zhuang Yujie Zhu Changchun Zhong Liang Jiang Xufeng Zhang Jia-Mian Hu Department of Materials Science and Engineering University of Wisconsin-MadisonMadisonWI53706USA Pritzker School of Molecular Engineering The University of ChicagoChicagoIL60637USA Department of Electrical and Computer Engineering Northeastern UniversityBostonMA02115USA Department of Physics Northeastern UniversityBostonMA02115USA

Cavity electromagnonic system,which simultaneously consists of cavities for photons,magnons(quanta of spin waves),and acoustic phonons,provides an exciting platform to achieve coherent energy transduction among different physical systems down to single quantum *** we report a dynamical phase-field model that allows simulating the coupled dynamics of the electromagnetic waves,magnetization,and strain in 3D multiphase *** examples of application,we computationally demonstrate the excitation of hybrid magnon-photon modes(magnon polaritons),Floquet-induced magnonic Aulter-Townes splitting,dynamical energy exchange(Rabi oscillation)and relative phase control(Ramsey interference)between the two magnon polariton *** simulation results are consistent with analytical calculations based on Floquet Hamiltonian *** are also performed to design a cavity electro-magno-mechanical system that enables the triple phononmagnon-photon resonance,where the resonant excitation of a chiral,fundamental(n=1)transverse acoustic phonon mode by magnon polaritons is *** the capability to predict coupling strength,dissipation rates,and temporal evolution of photon/magnon/phonon mode profiles using fundamental materials parameters as the inputs,the present dynamical phase-fieldmodel represents a valuable computational tool to guide the fabrication of the cavity electromagnonic system and the design of operating conditions for applications in quantum sensing,transduction,and communication.

关键词： theory phonon phase

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Low-temperature spin Seebeck effect in nonmagnetic vanadium dioxide

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Physical Review B 2024年第2期110卷 024415-024415页

作者： Renjie Luo Tanner J. Legvold Liyang Chen Henry Navarro Ali C. Basaran Deshun Hong Changjiang Liu Anand Bhattacharya Ivan K. Schuller Douglas Natelson Department of Physics and Astronomy Applied Physics Graduate Program Rice Quantum Institute Department of Physics and Center for Advanced Nanoscience Materials Science Division Department of Electrical and Computer Engineering Department of Materials Science and NanoEngineering

The spin Seebeck effect (SSE) is sensitive to thermally driven magnetic excitations in magnetic insulators. Vanadium dioxide in its insulating low-temperature phase is expected to lack magnetic degrees of freedom, as vanadium atoms are thought to form singlets upon dimerization of the vanadium chains. Instead, we find a paramagnetic SSE response in VO2 films that grows as the temperature decreases below 50 K. The field and temperature-dependent SSE voltage is qualitatively consistent with a general model of paramagnetic SSE response and inconsistent with triplet spin transport. Quantitative estimates find a spin Seebeck coefficient comparable in magnitude to that observed in strongly magnetic materials. The microscopic nature of the magnetic excitations in VO2 requires further examination.

关键词： Spin Seebeck effect Paramagnets Strongly correlated systems

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Machine learning potential assisted exploration of complex defect potential energy surfaces

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npj Computational materials 2024年第1期10卷 3017-3023页

作者： Chao Jiang Chris A.Marianetti Marat Khafizov David H.Hurley Computational Mechanics and Materials Department Idaho National LaboratoryIdaho FallsID 83415USA Department of Applied Physics and Applied Mathematics Columbia UniversityNew YorkNY 10027USA Department of Mechanical and Aerospace Engineering The Ohio State UniversityColumbusOH 43210USA Materials Science and Engineering Department Idaho National LaboratoryIdaho FallsID 83415USA

Atomic-scale defects generated in materials under both equilibrium and irradiation conditions can significantly impact their physical and mechanical *** the energetically most favorable ground-state configurations of these defects is an important step towards the fundamental understanding of their influence on the performance of materials ranging from photovoltaics to advanced nuclear ***,using fluorite-structured thorium dioxide(ThO_(2))as an exemplar,we demonstrate how density functional theory and machine learning interatomic potential can be synergistically combined into a powerful tool that enables exhaustive exploration of the large configuration spaces of small point defect *** study leads to several unexpected discoveries,including defect polymorphism and ground-state structures that defy our physical *** physical origins of these unexpected findings are elucidated using a local cluster expansion model developed in this work.

关键词： properties defect potential

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Observing suppressed polarization in flexible ferroelectric negative capacitance field effect transistors

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Journal of Materiomics 2024年第4期10卷 762-769页

作者： Chuanlai Ren Liyufen Dai Congbing Tan Guangtong Yuan Ke Qu Jinbin Wang Xiangli Zhong Mingqiang Huang Jiyan Dai Gaokuo Zhong Jiangyu Li Shenzhen Institutes of Advanced Technology Chinese Academy of SciencesShenzhen518055GuangdongChina Guangdong Provincial Key Laboratory of Functional Oxide Materials and Devices Southern University of Science and TechnologyShenzhen518055GuangdongChina School of Materials Science and Engineering Xiangtan UniversityXiangtan411105HunanChina School of Physics and Electronics Hunan University of Science and TechnologyXiangtan411201HunanChina Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen518055GuangdongChina Department of Applied Physics The Hong Kong Polytechnic UniversityHong Kong999077China

Negative capacitance(NC)has the potential to enable low power microelectronics beyond the fundamental thermionic limit,and it has been theorized that the thermodynamically unstable NC of ferroelectrics can be stabilized by linear dielectric,making negative capacitance ferroelectric field effect transistors(NC-FeFET)***,the validity of NC as a physical concept for ferroelectrics remain contentious despite numerous theoretical and experimental investigations,and the intrinsic ferroelectric NC with suppressed polarization has not been demonstrated except locally at vortex *** NC-FeFET with subthreshold swing(SS)lower than 60 mV/dec limit has been reported,such device characteristics has not been directly connected to suppressed polarization at materials’level,and alternative mechanisms other than NC have also been *** we demonstrate stable sub-60 mV/dec SS with hysteresis free Isingle bondV in NC-FeFET based on SrTiO_(3)/Pb(Zr_(0.1)Ti_(0.9))O_(3)/SrTiO_(3) heterostructure,and observe its suppressed polarization at both macroscopic and microscopic *** intrinsic ferroelectric NC thus is experimentally confirmed and directly connected to NC-FeFET performance,and the mica-based device is also highly flexible and robust under cyclic bending as well as extended heating.

关键词： Negative capacitance field-effect transistors Ferroelectric Pulse laser deposition Mica

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Ultra-strong and ductile precipitation-strengthened high entropy alloy with 0.5%Nb addition produced by laser additive manufacturing

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Journal of materials science & Technology 2024年第20期187卷 195-211页

作者： Wei Zhang Ali Chabok Hui Wang Jiajia Shen J.P.Oliveira Shaochuan Feng Nobert Schell Bart J.Kooi Yutao Pei Advanced Production Engineering Engineering and Technology Institute GroningenFaculty of Science and EngineeringUniversity of GroningenNijenborgh 49747 AGthe Netherlands Nanostructured Materials and Interfaces Zernike Institute for Advanced MaterialsFaculty of Science and EngineeringUniversity of GroningenNijenborgh 49747 AGthe Netherlands UNIDEMI Department of Mechanical and Industrial EngineeringNOVA School Science and TechnologyUniversidade NOVA de LisboaCaparica 2829-516Portugal CENIMAT/I3N Department of Materials ScienceNOVA School of Science and TechnologyUniversidade NOVA de Lisboa2829-516 CaparicaPortugal School of Mechanical Engineering University of Science and Technology BeijingBeijing 100083China Institute of Materials Physics Helmholtz-Zentrum HereonMax-Planck-Str.1GeesthachtD-21502Germany

Achieving a superior strength-ductility combination for fcc single-phase high entropy alloys(HEAs)is *** present work investigates the in-situ synthesis of Fe_(49.5)Mn_(30)Co_(10)Cr_(10)C_(0.5)interstitial solute-strengthened HEA containing 0.5 wt.%Nb(hereafter referred to as iHEA-Nb)using laser melt-ing deposition(LMD),aiming at simultaneously activating multiple strengthening *** effect of Nb addition on the microstructure evolution,mechanical properties,strengthening and deformation mechanisms of the as-deposited iHEA-Nb samples was comprehensively *** levels of het-erogeneity were observed in the LMD-deposited microstructure,including different grain sizes,cellular subgrain structures,various carbide precipitates,as well as elemental *** incorporation of Nb atoms with a large radius leads to lattice distortion,reduces the average grain size,and increases the types and fractions of carbides,aiding in promoting solid solution strengthening,grain boundary strengthening,and precipitation *** test results show that the Nb addition significantly increases the yield strength and ultimate tensile strength of the iHEA to 1140 and 1450 MPa,respectively,while maintaining the elongation over 30%.Deformation twins were generated in the tensile deformed samples,contributing to the occurrence of twinning-induced *** outstanding combination of strength and ductility exceeds that for most additively manufactured HEAs reported to date,demon-strating that the present in situ alloying strategy could provide significant advantages for developing and tailoring microstructures and balancing the mechanical properties of HEAs while avoiding conventional complex thermomechanical *** addition,single-crystal micropillar compression tests revealed that although the twining activity is reduced by the Nb addition to the iHEA,the micromechanical prop-erties of grains with different orientations were signi

关键词： Laser additive manufacturing High entropy alloy In situ alloying Precipitation strengthening Deformation mechanism Mechanical properties

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Electrocatalysis for sustainable nitrogen management: materials innovation for sensing, removal and upcycling technologies

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science China Chemistry 2025年第6期 2322-2342页

作者： Mei Yi Hongmei Li Minghao Xie Panpan Li Zhaoyu Jin Guihua Yu Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China College of Materials Science and Engineering and College of Chemistry Sichuan University Materials Science and Engineering Program and Walker Department of Mechanical Engineering The University of Texas at Austin

The global nitrogen cycle holds immense importance due to its crucial role in supporting life, supplying vital nutrients for plant growth, preserving environmental balance, and enabling the proper functioning of ecosystems. However, human activities frequently disrupt this cycle, leading to the accumulation of nitrates and nitrites in water bodies. This accumulation causes environmental pollution and health risks. Traditional methods for treating nitrogen pollution, including biological, physical, and chemical approaches, have inherent limitations. In recent years, electrocatalysis has emerged as a promising and sustainable approach for nitrogen management. This technology offers superior efficiency, high selectivity, and environmental *** not only enables accurate detection of nitrogen pollutants in the environment but also facilitates their conversion into harmless nitrogen gas. Moreover, recent advancements have focused on the upcycling of nitrogen pollutants into valuable compounds,such as ammonia and urea. In this comprehensive review, we showcase the applications of electrocatalysis in sustainable nitrogen management. Specifically, we highlight its use in the sensing, removal, and upcycling of major nitrogen pollutants,including nitrate（NO3-）, nitrite（NO2-）, and nitric oxide（NO）. We discuss the use of catalysts, such as Pd alloys, Cu-based, and Fe-based materials, in electrochemical sensing and catalysis. Additionally, we explore recent advancements in the conversion of nitrogen pollutants into valuable compounds like ammonia and urea. The review also addresses current challenges and future opportunities in the field, including innovations in sensor and catalyst design, as well as large-scale treatment strategies. We anticipate that these perspectives will provide profound insights for effective nitrogen pollution control and sustainable utilization of nitrogen resources.

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Emergence of Competing Stripe Phases in Undoped Infinite-Layer Nickelates

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Physical Review Letters 2024年第6期133卷 066401-066401页

作者： Ruiqi Zhang Christopher Lane Johannes Nokelainen Bahadur Singh Bernardo Barbiellini Robert S. Markiewicz Arun Bansil Jianwei Sun Department of Physics and Engineering Physics Theoretical Division Department of Physics School of Engineering Science Department of Physics Quantum Materials and Sensing Institute Department of Condensed Matter Physics and Materials Science

Recent discovery of superconductivity in infinite-layer nickelates has ignited renewed theoretical and experimental interest in the role of electronic correlations in their properties. Here, using first-principles simulations, we show that the parent compound of the nickelate family, LaNiO2, hosts competing low-energy stripe phases, similar to doped cuprates. The stripe states are shown to be driven by multiorbital electronic mechanisms and Peierls distortions. Our study indicates that both strong correlations and electron-phonon coupling effects play a key role in the physics of infinite-layer nickelates, and sheds light on the microscopic origin of electronic inhomogeneity and the lack of long-range order in the nickelates.

关键词： Electronic structure Superconductors Density functional theory Many-body techniques

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Mechanism of switching between planar and focal conic states in a bistable cholesteric-liquid-crystal reflective display

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Physical Review Applied 2024年第4期22卷 044020页

作者： Xinfang Zhang Ziyuan Zhou Suman Halder Lang Hu Deng-Ke Yang Materials Science Program and Advanced Materials and Liquid Crystal Institute Department of Physics

The bistable reflective cholesteric-liquid-crystal display exhibits two stable states with contrasting optical properties at zero voltage. One is the reflecting planar state where the helical axis is perpendicular to the display substrate, and the other is the nonreflecting focal conic state where the orientation of the helical axis is random throughout the display. The display is switched directly from the planar state to the focal conic state by a low voltage. It is switched from the focal conic state back to the planar state in an indirect manner: it is switched to a third state, known as the homeotropic state, by a high voltage, and then relaxes back to the planar state when the applied high voltage is removed. Here we report a new mechanism to switch the bistable reflective display. We make use of liquid-crystal dimers, which have abnormally small bend elastic constants and exhibit a heliconical state. The bistable display is switched from the focal conic state to the heliconical state by an intermediate voltage and then relaxes back to the planar state after the applied voltage is removed. Through this mechanism the driving voltage is significantly reduced.

关键词： Optoelectronics Bent-core liquid crystals Cholesteric liquid crystals Devices Liquid crystals Thermotropic liquid crystals Optical microscopy Reflectivity

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Stabilized Nickel-Rich-Layered Oxide Electrodes for High-Performance Lithium-Ion Batteries

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Energy & Environmental materials 2024年第6期7卷 60-73页

作者： Zahra Ahaliabadeh Ville Miikkulainen Miia Mäntymäki Mattia Colalongo Seyedabolfazl Mousavihashemi Lide Yao Hua Jiang Jouko Lahtinen Timo Kankaanpää Tanja Kallio Department of Chemistry and Materials Science(CMAT) School of Chemical EngineeringAalto University02150 EspooFinland Department of Chemistry University of Helsinki00014 HelsinkiFinland Department of Applied Physics School of ScienceAalto University02150 EspooFinland Umicore Finland Oy 67101 KokkolaFinland

This work made use of the Aalto University Otanano-Nanomicroscopy Center and RAMI *** support from Business Finland NextGenBat[grant number 211849]is greatly *** tomography experiment was performed at the beamline ID16B of the European Synchrotron Radiation Facility(ESRF),Grenoble,France,in the frame of proposal *** patent titled“Stabilized Positive Electrode Material to Enable High Energy and Power Density Lithium-Ion Batteries”(IPD3173)is pertinent to this *** was filed by Zahra Ahaliabadeh and Tanja Kallio,and the patent rights are held by Aalto University.

关键词： degradation mechanisms electrolyte decomposition hybrid coatings lithium-ion battery lithium-ion kinetics molecular layer deposition NMC811

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Microcapsule-enabled self-healing concrete:A bibliometric analysis

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Frontiers of Structural and Civil engineering 2023年第11期17卷 1611-1629页

作者： Shuai ZHOU Zijian LI Kai LI Yue JIA Chong WANG Xiaoying ZHUANG College of Materials Science and Engineering Chongqing UniversityChongqing 400045China Department of Mathematics and Physics Leibniz Universität HannoverHannover 30167Germany Department of Geotechnical Engineering College of Civil EngineeringTongji UniversityShanghai 200092China

With the development of self-healing technology, the overall properties of the microcapsule-enabled selfhealingconcrete have taken a giant leap. In this research, a detailed assessment of current research on the microcapsuleenabledself-healing concrete is conducted, together with bibliometric analysis. In the bibliometric analysis, variousindicators are considered. The current state of progress regarding self-healing concrete is assessed, and an analysis of thetemporal distribution of documents, organizations and countries of literature is conducted. Later, a discussion of thecitations is analyzed. The research summarizes the improvements of microcapsule-enabled self-healing cementitiouscomposites and provides a concise background overview.

关键词： microcapsule self-healing concrete bibliographic analysis

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