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Phase classification of multi-principal element alloys via interpretable machine learning

npj Computational materials 2022年第1期8卷 206-217页

作者： Kyungtae Lee Mukil V.Ayyasamy Paige Delsa Timothy Q.Hartnett Prasanna V.Balachandran Department of Materials Science and Engineering University of VirginiaCharlottesvilleVA22904USA Department of Physics University of RichmondRichmondVA23173USA Department of Mechanical and Aerospace Engineering University of VirginiaCharlottesvilleVA22904USA

There is intense interest in uncovering design rules that govern the formation of various structural phases as a function of chemical composition in multi-principal element alloys (MPEAs).In this paper,we develop a machine learning (ML) approach built on the foundations of ensemble learning,post hoc model interpretability of black-box models,and clustering analysis to establish a quantitative relationship between the chemical composition and experimentally observed phases of *** originality of our work stems from performing instance-level (or local) variable attribution analysis of ML predictions based on the breakdown method,and then identifying similar instances based on k-means clustering analysis of the breakdown *** also complement the breakdown analysis with Ceteris Paribus profiles that showcase how the model response changes as a function of a single variable,when the values of all other variables are *** from local model interpretability analysis uncover key insights into variables that govern the formation of each *** developed approach is generic,model-agnostic,and valuable to explain the insights learned by the black-box *** interactive web application is developed to facilitate model sharing and accelerate the design of MPEAs with targeted properties.

关键词： alloys element instance

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Sandwich-Structured Solar Cells with Accelerated Conversion Efficiency by Self-Cooling and Self-Cleaning Design

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Journal of Bionic engineering 2024年第6期21卷 2955-2968页

作者： Huide Fu Ben Wang Rui He Yongpu Yang Hongyuan Li Zhiguang Guo College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhen518060China State Key Laboratory for Turbulence and Complex Systems Department of Mechanics and Engineering ScienceBeijing Innovation Center for Engineering Science and Advanced TechnologyCollege of EngineeringPeking UniversityBeijing100871China Hubei Collaborative Innovation Centre for Advanced Organic Chemical Materials and Ministry of Education Key Laboratory for the Green Preparation and Application of Functional Materials Hubei UniversityWuhan430062PR China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of ScienceLanzhou730000PR China

Photovoltaic(PV)power generation is highly regarded for its capability to transform solar energy into electrical ***,in real-world applications,PV modules are prone to issues such as increased self-heating and surface dust accumulation,which contribute to a reduction in photoelectric conversion ***,elevated temperatures can adversely affect the components’operational *** augment the efficiency and extend the lifespan of PV modules,it is crucial to implement cooling strategies and periodic surface dust *** this research,we introduce a composite PV module design that amalgamates a hygroscopic hydrogel with self-cleaning *** design incorporates a superhydrophobic polydimethylsiloxane(PDMS)film as its exposed surface layer and employs a PAM-CaCl2-SiC hygroscopic hydrogel for rear *** arrangement is intended to facilitate efficient surface self-cleaning and passive cooling of the composite PV *** studies were conducted to evaluate the performance of this innovative composite PV module design,and the results showed that the composite PV panel had an increase of about 1.39%in power generation compared to an ordinary PV panel in the spring of Shenzhen,China.

关键词： Self-cleaning Solar cell Superhydrophobic Hygroscopic hydrogel Conversion efficiency

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Co-activation for enhanced K-ion storage in battery anodes

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National science Review 2023年第7期10卷 183-195页

作者： Yanhong Feng Yawei Lv Hongwei Fu Mihir Parekh Apparao M.Rao He Wang Xiaolin Tai Xianhui Yi Yue Lin Jiang Zhou Bingan Lu School of Physics and Electronics Hunan University Department of Physics and Astronomy Clemson Nanomaterials Institute Clemson University Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of China School of Materials Science and Engineering Central South University State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body Hunan University

The relative natural abundance of potassium and potentially high energy density has established potassium-ion batteries as a promising technology for future large-scale global energy ***,the anodes' low capacity and high dis charge platform lead to low energy density,which impedes their rapid ***,we present a possible co-activation mechanism between bismuth（Bi） and tin（Sn）that enhances K-ion storage in battery *** co-activated Bi-Sn anode delivered a high capacity of634 mAh g-1,with a discharge plateau as low as 0.35 V,and operated continuously for 500 cycles at a current density of 50 mA g-1,with a high Coulombic efficiency of 99.2%.This possible co-activation strategy for high potassium storage may be extended to other Na/Zn/Ca/Mg/Al ion battery technologies,thus providing insights into how to improve their energy storage ability.

关键词： potassium ion batteries anode co-activation high reversible capacity

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Double-confined nanoheterostructure Sb/Sb_(2)S_(3)@Ti_(3)C_(2)T_(x)@C toward ultra-stable Li-/Na-ion batteries

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Rare Metals 2024年第5期43卷 2067-2079页

作者： Dan Wang Qun Ma Huan He Zhi-Yuan Wang Run-Guo Zheng Hong-Yu Sun Yan-Guo Liu Chun-Li Liu School of Materials Science and Engineering Northeastern UniversityShenyang110819China School of Resources and Materials Northeastern University at QinhuangdaoQinhuangdao 066004China Key Laboratory of Dielectric and Electrolyte Functional Material Hebei Province Qinhuangdao 066004China Department of Physics and Oxide Research Center Hankuk University of Foreign StudiesYongin 17035Korea

Antimony-based materials with high capacities and moderate potentials are promising anodes for lithium-/-sodium-ion ***,their tremendous volume expansion and inferior conductivity lead to poor structural stability and sluggish reaction ***,a doubleconfined nanoheterostructure Sb/Sb_(2)S_(3)@Ti_(3)C_(2)T_(x)@C has been fabricated through a solvothermal method followed by low-temperature heat *** dual protection of“MXene”and“carbon”can better accommodate the volume expansion of Sb/Sb_(2)S_(3).The strong covalent bond(Ti-S,Ti-O-Sb,C-O-Sb)can firmly integrate Sb-based material with Ti_(3)C_(2)T_(x)and carbon,which significantly improves the structure *** addition,the carbon layer can restrain the oxidation of MXenes,and the nano-Sb/Sb_(2)S_(3)can facilitate electron/ion transport and suppress the restacking of *** heterogeneous interface between Sb and Sb_(2)S_(3)can further promote interfacial charge *** MXene-Sb/Sb_(2)S_(3)@C-1 with the optimal Sb content shows high specific capacities,comparable rate properties and ultra-stable cycling performances(250 m Ah·g^(-1)after 2500 cycles at 1 A·g^(-1)for sodium-ion batteries).Ex situ X-ray diffractometer(XRD)test reveals the storage mechanism including the conversion and alloying process of MXene-Sb/Sb_(2)S_(3)@*** voltammetry(CV)test results demonstrate that the pseudocapacitance behavior is dominant in MXene-Sb/Sb_(2)S_(3)@C-1,especially at large *** design paves the way for exploring high-performance alloy-based/conversion-type anode for energy storage devices.

关键词： Sb/Sb_(2)S_(3) MXene Carbon Anode Lithium-ion batteries Sodium-ion batteries

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Delineation of profoundly birefringent nonlinear photonic crystal fiber in terahertz frequency regime

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Journal of Optical Communications 2025年第1期46卷 41-49页

作者： Yadav, Sapana Singh, Sachin Lohia, Pooja Umar, Ahmad Dwivedi, Dilip Kumar Photonics and Photovoltaic Research Lab Department of Physics and Material Science Madan Mohan Malaviya University of Technology Gorakhpur273010 India Department of Electronics and Communication Engineering Madan Mohan Malaviya University of Technology Gorakhpur273010 India Najran University Najran11001 Saudi Arabia Department of Materials Science and Engineering The Ohio State University Columbus OH43210 United States

The photonic aspects of semiconducting hexagon-shaped photonic crystal fiber including effective mode area, effective mode index, dispersion, and confinement loss, have already been investigated. The finite element method has been used to compute the maximum distribution of the studied photonic crystal fiber by COMSOL software. The linear modifications from both the effective mode index and an effective mode area have been investigated. Dispersion and confinement loss are examined in terms of air hole ring number and wavelength. For every wavelength, the effective-index model implies that the studied fiber can indeed be single mode. Even though its practical single-mode range inside the opacity aperture of silica appears large, it is eventually confined by a bend-loss edge at both brief & medium wavelengths. Moreover, the reported fiber offers minimal confinement loss of almost 10-8 dB/cm, birefringence 0.0012, and dispersion around 10-11 ps/km nm. © 2022 Walter de Gruyter GmbH, Berlin/Boston.

关键词： Birefringence

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Low-Voltage IGZO Field-Effect Ultraviolet Photodiode

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Chinese physics Letters 2024年第6期41卷 156-161,I0001-I0003页

作者：宋双梁会力霍文星张广张永晖王绩伟梅增霞 Songshan Lake Materials Laboratory Dongguan 523808China Institute of Physics Chinese Academy of SciencesBeijing 100190China College of Physics Liaoning UniversityShenyang 110036China Department of Instruments Science and Technology School of Precision Instrument and Opto-electronics EngineeringTianjin UniversityTianjin 300072China National Key Laboratory of Scattering and Radiation Beijing 100039China School of Physics and Optoelectronic Engineering Shandong University of TechnologyZibo 255000China

In the era of Internet of Things(Io Ts),an energy-efficient ultraviolet(UV)photodetector(PD)is highly desirable considering the massive usage scenarios such as environmental sterilization,fire alarm and corona discharge *** far,common self-powered UV PDs are mainly based on metal-semiconductor heterostructures or p–n heterojunctions,where the limited intrinsic built-in electric field restricts further enhancement of the *** this work,an extremely low-voltage field-effect UV PD is proposed using a gatedrain shorted amorphous IGZO(a-IGZO)thin film transistor(TFT)architecture.A combined investigation of the experimental measurements and technology computer-aided design(TCAD)simulations suggests that the reverse current(ⅠR)of field-effect diode(FED)is highly related with the threshold voltage(Vth)of the parental TFT,implying an enhancement-mode TFT is preferable to fabricate the field-effect UV PD with low dark *** by a low bias of-0.1 V,decent UV response has been realized including large UV/visible(R_(300)/R_(550))rejection ratio(1.9×10^(3)),low dark current(1.15×10^(-12)A)as well as high photo-to-dark current ratio(PDCR,~10^(3))and responsivity(1.89 A/W).This field-effect photodiode provides a new platform to construct UV PDs with well-balanced photoresponse performance at a low bias,which is attractive for designs of large-scale smart sensor networks with high energy efficiency.

关键词： IGZO attractive ultraviolet

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Graphene-calcium carbonate coating to improve the degradation resistance and mechanical integrity of a biodegradable implant

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Journal of Magnesium and Alloys 2024年第1期12卷 394-404页

作者： Lokesh Choudhary Parama Chakraborty Banerjee R.K.Singh Raman Derrek E.Lobo Christopher D.Easton Mainak Majumder Frank Witte Jörg F.Löffler Department of Mechanical and Aerospace Engineering Monash UniversityClayton CampusMelbourneVIC 3800Australia Department of Chemical and Biological Engineering Monash UniversityClayton CampusMelbourneVIC 3800Australia Nanoscale Science and Engineering Laboratory(NSEL) Bldg 37Monash UniversityClayton CampusMelbourneVIC 3800Australia CSIRO Materials Science and Engineering Bayview AvenueClaytonVIC 3168Australia Julius Wolff Institute and Berlin Brandenburg Center for Regenerative Therapies Charité–Universitätsmedizin BerlinAugustenburger Platz 113353 BerlinGermany Laboratory of Metal Physics and Technology Department of MaterialsETH Zurich8093 ZurichSwitzerland

Biodegradable implants are critical for regenerative orthopaedic procedures,but they may suffer from too fast corrosion in human-body *** necessitates the synthesis of a suitable coating that may improve the corrosion resistance of these implants without compromising their mechanical *** this study,an AZ91 magnesium alloy,as a representative for a biodegradable Mg implant material,was modified with a thin reduced graphene oxide(RGO)-calcium carbonate(CaCO_(3))composite *** analytical and in-vitro electrochemical characterization reveals that this coating significantly improves the corrosion resistance and mechanical integrity,and thus has the potential to greatly extend the related application field.

关键词： Graphene coating Biodegradable implant Hydroxyapatite Corrosion Magnesium alloy

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Voltage-controlled spin-wave Doppler shift in a ferromagnetic/ferroelectric heterojunction

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Physical Review Applied 2024年第1期22卷 014085-014085页

作者： Shaojie Hu Kang Wang Tai Min Takashi Kimura Department of Physics Center for Spintronics and Quantum Systems State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and Engineering School of Materials Science and Intelligent Engineering

Efficient manipulation of spin waves (SWs) is considered as one of the promising means for encoding information with low power consumption in next-generation spintronic devices. The SW Doppler shift is a key phenomenon obtained by manipulating SW propagation. Here, we predict an efficient way to control the SW Doppler shift by voltage-control magnetic-anisotropy-boundary (MAB) movement in the FM-FE heterojunction. From the micromagnetic simulation, we verified that the SW Doppler shift aligns well with our theoretical predictions in Fe/BaTiO3 heterostructure. The SW Doppler shift also shows an ultra-wide-band-shift (over 5 GHz) property with voltage. Such an efficient SW Doppler shift may provide one possible way to measure the Hawking radiation of an analogue black hole in the SW systems.

关键词： Magnetic anisotropy Magnons Multiferroics Spin waves Ferroelectrics Ferromagnets Multiferroic tunnel junctions

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Growth of CySi1-x-ySnx Alloys for Low-Cost High-Efficiency Multi-Junction Solar Cells 52

Growth of CySi1-x-ySnx Alloys for Low-Cost High-Efficiency M...

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52nd IEEE Photovoltaic Specialist Conference, PVSC 2024

作者： Banihashemian, Seyedeh Fahimeh Mahmoudi, Mohammad Mosleh, Aboozar Naseem, Hameed A. University of Arkansas Department of Electrical Engineering FayettevilleAR72701 United States Materials Science & Engineering Program University of Arkansas FayettevilleAR72701 United States

ISBN: (纸本)9781665464260

The future demand for high efficiency solar cell necessitates a breakthrough in development of multi-junction cells. Presently, single junction solar cells dominate the market due to the high production expenses associated with multi-junction variants. This study demonstrates growth and characterization of a new ternary material system of CSiSn that holds promise for fabricating high-efficiency multi-junction solar cells on a Si substrate. © 2024 IEEE.

关键词： Ternary alloys

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Moiré potential renormalization and ultra-flat bands induced by quasiparticle-plasmon coupling

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npj Computational materials 2023年第1期9卷 2279-2285页

作者： Linghan Zhu Haonan Wang Li Yang Department of Physics Washington University in St.LouisSt.LouisMO 63130USA Institute of Materials Science and Engineering Washington University in St.LouisSt.LouisMO 63130USA

Moirépotential profile can form flat electronic bands and manifest correlated states of electrons,where carrier doping is essential for observing those *** this work,we uncover a hidden but remarkable many-electron effect:doped carriers form a two-dimensional plasmon and strongly couple with quasiparticles to renormalize moirépotential and realize ultra-flat *** many-body perturbation theory,we demonstrate this effect in twisted MoS_(2)/WS_(2) *** moirépotential is significantly enhanced upon carrier doping,and the bandwidth is reduced by order of magnitude,leading to drastic quenching of electronic kinetic energy and stronger *** further predict that the competition between correlated mechanisms can be effectively controlled via doping,giving hope to a quantum transition between Mott and charge-transfer insulating *** work reveals that the potential renormalization effect of doping is much more significant in determining and controlling many-electron electronic correlations than sole filling-factor tuning in semiconducting moirécrystals.

关键词： bands doping potential

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