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Alloy synthesis and processing by semi-supervised text mining

npj Computational Materials 2023年第1期9卷 459-470页

作者： Weiren Wang Xue Jiang Shaohan Tian Pei Liu Turab Lookman Yanjing Su Jianxin Xie Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyUniversity of Science and Technology Beijing100083 BeijingChina Collaborative Innovation Center of Steel Technology University of Science and Technology Beijing100083 BeijingChina Liaoning Academy of Materials Shenyang 110000 LiaoningChina Beijing Key Laboratory of Advanced High Temperature Materials Central Iron&Steel Research Institute100081 BeijingChina Beijing GAONA Materials&Technology Co. LTD100081 BeijingChina AiMaterials Research LLC Santa FeNM 87501USA

Alloy synthesis and processing determine the design of alloys with desired microstructure and ***,using data science to identify optimal synthesis-design routes from a specified set of starting materials has been limited by large-scale data *** mining has made it possible to convert scientific text into structured data ***,the complexity,diversity,and flexibility of synthesis and processing expressions,and the lack of annotated corpora with a gold standard severely hinder accurate and efficient *** we introduce a semi-supervised text mining method to extract the parameters corresponding to the sequence of actions of synthesis and *** automatically extract a total of 9853 superalloy synthesis and processing actions with chemical compositions from a corpus of 16,604 superalloy articles published up to *** have then been used to capture an explicitly expressed synthesis factor for predictingγ′phase *** synthesis factor derived from text mining significantly improves the performance of the data-drivenγ′size prediction *** method thus complements the use of data-driven approaches in the search for relationships between synthesis and structures.

关键词： superalloy microstructure synthesis

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Off-centering effect and crystal symmetry modification lead to high thermoelectric performance in diamondoid Cu_(2)SnSe_(3)

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National science Open 2025年第3期4卷 35-52页

作者： Pengpeng Chen Shulin Bai Yi Wen Yichen Li Zihao Zhao Dezheng Gao Houdong Huang Yixuan Hu Tian Gao Lei Wang Shaoping Zhan Xiang Gao Xianli Su Hongyao Xie Li-Dong Zhao School of Materials Science and Engineering Beihang UniversityBeijing 100191China Center for Bioinspired Science and Technology Hangzhou International Innovation InstituteBeihang UniversityHangzhou 311115China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Center for High Pressure Science and Technology Advanced Research(HPSTAR) Beijing 100094China

Recently,dimensionless figure of merit(ZT)beyond 1.0 has been demonstrated in diamondoid Cu_(2)SnSe_(3),positioning it as a low-cost and ecofriendly thermoelectric alternative,and sparking intense interest in further optimizing its thermoelectric ***,its intrinsic monoclinic structure and the compact packing of tetrahedral coordination lead to a light valence band and high thermal conductivity,which impede further performance improvement in Cu_(2)SnSe_(3).Thus,developing effective approaches to altering the local structure of Cu_(2)SnSe_(3)is important for further optimizing its thermoelectric ***,we identified and thoroughly investigated the atomic off-centering behavior in Cu_(2)SnSe_(3),and demonstrated the electronic and phonon transport properties of Cu_(2)SnSe_(3)can be significantly enhanced by carefully modifying its monoclinic lattice into a distorted zinc-blende cubic structure via introducing Cd and off-centering Ag *** structure transition leads to band convergence and a reduction in the deformation potential of the material,resulting in a 7-fold enhancement in the density-of-state effective mass and an 85%increase in carrier ***,the off-centering effect results in strong acoustic-optical phonon scattering and an ultra-low lattice thermal conductivity of 0.3 W m^(-1)K^(-1).Consequently,a maximum ZT of 1.3 was obtained at 800 K for the Cu_(1.85)Ag_(0.15)Sn_(0.9)Cd_(0.1)Se_(3).

关键词： thermoelectric crystal structure transition off-centering behavior local symmetry breaking

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Multi-state photoluminescent properties of an overcrowded alkene-based molecular motor in aggregates

Aggregate

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Aggregate 2024年第5期5卷 1-8页

作者： Yahan Shan Jinyu Sheng Qi Zhang Marc C.A.Stuart Da-Hui Qu Ben L.Feringa Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center School of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghaiChina Stratingh Institute for Chemistry and Zernike Institute for Advanced Materials University of GroningenGroningenNetherlands Institute of Science and Technology Austria KlosterneuburgAustria

Photoisomerization and photoluminescence are two distinct energy dissipation path-ways in light-driven molecular *** photoisomerization properties of discrete molecular motors have been well established in solution,but their photoluminescent properties have been rarely reported-especially in ***,it is shown that an overcrowded alkene-based molecular motor exhibits distinct dynamic prop-erties in solution and aggregate states,for example,gel and solid *** the poor emissive properties of molecular motors in solution,a bright emission is observed in the aggregate states,including in gel and the crystalline *** emis-sion wavelength is highly dependent on the nature of the supramolecular packing and order in the *** a result,the fluorescent color can be readily tuned reversibly via mechanical grinding and vapor fuming,which provides a new platform for developing multi-stimuli functional materials.

关键词： aggregation-induced emission gelation-induced emission mechanochromicﬂuorescence molecular motor photoluminescence

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QoI-Aware Configuration Adaptation and Heterogeneous Resource Allocation for Edge Video Analytics

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IEEE Internet of Things Journal 2025年第12期12卷 19215-19230页

作者： He, Zixuan Sun, Yanjing Zhang, Beibei Dong, Kaiwen Wang, Bowen Xu, Hongli China University of Mining and Technology School of Information and Control Engineering Xuzhou221116 China China University of Mining and Technology IoT Perception Mine Research Center Xuzhou221116 China School of Information and Control Engineering China University of Science and Technology of China School of Computer Science and Technology Anhui Hefei230027 China University of Science and Technology of China Suzhou Institute for Advanced Research Jiangsu Suzhou215123 China

Edge video analytics enables agile responses of machine-centric applications by streaming videos from end devices to edge servers (ESs) for resource-intensive Deep Neural Network (DNN) inference. Quality of Inference (QoI), reflected by end-to-end analytics delay and inference accuracy, is crucial for the high-quality real-time decision-making. Due to the limited ES resources and dynamic network conditions, video configuration adaptation and fine-grained resource allocation are necessary to enhance the QoI of video streams, which involves a delicate balance between delay and accuracy. In this paper, we propose an edge-enabled multi-video analytics framework, in which performing DNN inference relies on heterogeneous resources, including CPU, GPU, and memory. Considering the different impacts of heterogeneous resources on QoI and double-queue backlogs, we formulate the joint video configuration adaptation, CPU-GPU resource allocation, and batch size selection (JCCGB) problem based on semi-Markov Decision Process to maximize the long-term average QoI. Then, Lyapunov optimization is applied to transform the original problem into one that minimizes the Lyapunov drift-plus-penalty upper bound, thereby ensuring the stability of both the transmission and computation queues. To tackle the potential multimodality of the optimal configuration adaptation and resource allocation policy, we propose the diffusion deep reinforcement learning based JCCGB (DD-JCCGB) scheme. This approach effectively enhances the policy performance and accelerates the training process. Experiments driven by real-world network traces demonstrate that the DD-JCCGB algorithm improves the long-term average QoI and outperforms baseline schemes. © 2025 IEEE.

关键词： Markov processes

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Thermal shock resistant 3D printed ceramics reinforced with MgAl_(2)O_(4) shell structure

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Journal of Materials science & technology 2024年第11期178卷 100-111页

作者： Yuxiang Qiu Qiaolei Li Kun Yang Funan Jin Jun Fan Jingjing Liang Yizhou Zhou Xiaofeng Sun Jinguo Li Shi-changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China School of Materials Science and Engineering Northeastern UniversityShenyang 110819China Space Manufacturing Technology(CAS Key Lab) Beijing 100094China

The demand for the swirl nozzle with enhanced temperature resistance and lightweight properties is in-creasing as the thrust-to-weight ratio of aero-engines *** Al_(2)O_(3) ceramic swirl nozzle can maintain high strength in a hostile environment of high temperature and severe corrosion,while also meeting the requirements of aircraft to enhance efficiency and decrease ***,Al_(2)O_(3) ceramics are limited in their application for aerospace components due to their poor thermal shock resistance(TSR)stemming from their inherent *** work reported an innovative design and fabrication strategy based on photopolymerization 3D printing technology to realize the three-dimensional shell structure through element interdiffusion and nanoscale stacking of the reinforced *** this strategy,a novel type of the new dual-structure Al_(2)O_(3) ceramic composed of MgAl_(2)O_(4) shell structure and matrix could be con-structed in *** nano-sized MgAl_(2)O_(4) caused a crack passivation effect after the thermal shock,which could improve the strength and TSR of 3D-printed Al_(2)O_(3) *** addition,the effects of MgO content and sintering temperature on sintering behavior,flexural strength,porosity,and TSR of Al_(2)O_(3) ceram-ics manufactured by digital light processing(DLP)processing were systematically *** optimum overall performance of Al_(2)O_(3) ceramics was obtained at the sintering temperature of 1550℃and the MgO content of 1.0 wt.%,with a maximum flexural strength of 111.929 MPa and a critical temperature difference of 374.24℃for *** on the above research,an aero-engine swirl nozzle with high ther-mal shock resistance has been successfully prepared by ceramic 3D printing technology,which enhances high-temperature resistance and promotes lightweight design in aero-engine.

关键词： 3D printing Thermal shock resistance Swirl nozzle Flexural strength Ceramic material

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Ferrimagnetic structure in the high-pressure phase of α−Mn

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Physical Review B 2024年第9期110卷 094420页

作者： Shingo Araki Kaisei Iwamoto Kazuto Akiba Tatsuo C. Kobayashi Koji Munakata Koji Kaneko Toyotaka Osakabe Department of Physics Graduate School of Natural Science and Technology Neutron Science and Technology Center Materials Sciences Research Center Advanced Science Research Center

The α−Mn phase exhibits a large anomalous Hall effect (AHE) in its pressure-induced weak ferromagnetic (WFM) state, despite its relatively small spontaneous magnetization of ∼0.02μB/Mn. To understand the underlying mechanism behind this AHE, we performed single crystal neutron diffraction measurements at 2.0 GPa to determine the magnetic structure of the WFM phase. Our investigation reveals a ferrimagnetic structure characterized by nearly collinear magnetic moments aligned along the [001] direction at sites I, II, III-1, and IV-1. In contrast, the small moments at sites III-2 and IV-2 lie within the (001) plane. The calculated net magnetization of this magnetic structure, (−0.08±0.10)μB/Mn atom, is in agreement with the experimentally determined spontaneous magnetization. The observation of a magnetic reflection at q=(0,0,0) satisfies a key condition for the emergence of the AHE.

关键词： Ferrimagnetism Body-centered cubic Ferrimagnets Transition metals Magnetization measurements Neutron diffraction

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Computational temporal ghost imaging based on complementary modulation

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Chinese Physics B 2024年第11期33卷 278-283页

作者： Jia-Wei Li Wei Zhang Xue-Feng Liu Xu-Ri Yao Center for Quantum Technology Research and Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurements (MOE) School of Physics Beijing Institute of TechnologyBeijing 100081China Key Laboratory of Electronics and Information Technology for Space Systems National Space Science CenterChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

We report an experimental demonstration of temporal ghost imaging in which a digital micromirror device(DMD)and+1/-1 binary modulation have been combined to give an accurate reconstruction of a nonperiodic time *** to the 0/1 modulation,the reconstruction signal can be improved greatly by+1/-1 binary modulation even with half of the *** results show that 0/1 binary temporal objects up to 4 kHz and sinusoidal time objects up to 1 kHz can be reconstructed by this *** influences of modulation speed and array detector gray levels are also discussed.

关键词： temporal ghost imaging complementary modulation

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Rational strategy for power doubling of monolithic multijunction Ⅲ-Ⅴ photovoltaics by accommodating attachable scattering waveguides

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Light(science & Applications) 2024年第11期13卷 2734-2744页

作者： Shin Hyung Lee Hyo Jin Kim Jae-Hyun Kim Gwang Yeol Park Sun-Kyung Kim Sung-Min Lee School of Electrical Engineering Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141Republic of Korea Optoelectronic Convergence Research Center Korea Photonics Technology InstituteGwangju 61007Republic of Korea Department of Applied Physics Kyung Hee UniversityYongin 17104Republic of Korea Department of Electrical Engineering Hanyang UniversitySeoul 04763Republic of Korea Division of Materials Science and Engineering Hanyang UniversitySeoul 04763Republic of Korea

While waveguide-based light concentrators offer significant advantages,their application has not been considered an interesting option for assisting multijunction or other two-terminal tandem solar *** this study,we present a simple yet effective approach to enhancing the output power of transfer-printed multijunction InGaP/GaAs solar *** utilizing a simply combinable waveguide concentrator featuring a coplanar waveguide with BaSO4 Mie scattering elements,we enable the simultaneous absorption of directly illuminated solar flux and indirectly waveguided *** deployment of cells is optimized for front-surface photon collection in monofacial *** systematic comparisons across various waveguide parameters,supported by both experimental and theoretical quantifications,we demonstrate a remarkable improvement in the maximum output power of a 26%-efficient cell,achieving an enhancement of~93%with the integration of the optimal scattering ***,a series of supplementary tests are conducted to explore the effective waveguide size,validate enhancements in arrayed cell module performance,and assess the drawbacks associated with rear *** findings provide a comprehensive understanding of our proposed approach towards advancing multi-junction photovoltaics.

关键词： waveguide scattering power

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Interaction mechanism between BaZrO_(3)/Y_(2)O_(3) refractory and Ti_(2)Ni alloy melts

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Journal of Iron and Steel research International 2024年第6期31卷 1376-1388页

作者： Xiao Hou Guang-yao Chen Jian Liu Ming-rui Lv Fei-hai Yu Qi-sheng Feng Rong-bin Li Xiong-gang Lu Chong-he Li State Key Laboratory of Advanced Special Steel and Shanghai Key Laboratory of Advanced Ferromeallurgy and School of Materials Science and Engineering Shanghai UniversityShanghai 200072China Shanghai Special Casting Engineering Technology Research Center Shanghai 201605China Zhejiang Institute of Advanced Materials Shanghai UniversityJiashan 314100ZhejiangChina School of Materials Science and Engineering Shanghai DianJi UniversityShanghai 201306China

The titanium alloys with highly chemical activity require stable crucible refractories that can withstand the erosion of alloy *** phase composition and microstructure are crucial factors that affect the stability of the refractory *** effect of Y_(2)O_(3) on the composition and microstructure of BaZrO_(3) crucible was systematically investigated,and the improved mechanism of the stability of BaZrO_(3)/Y_(2)O_(3) crucible was clarified in comparison with the BaZrO_(3) *** results showed that the erosion layer thickness of the BaZrO_(3)/Y_(2)O_(3) crucible was only 63μm,which was far less than that in the BaZrO_(3) crucible(485μm),and the erosion layer in the BaZrO_(3)/Y_(2)O_(3) crucible also exhibited a higher density than that in the BaZrO_(3) *** the sintering,Y_(2)O_(3) could improve the densification of the BaZrO_(3) crucible due to the solid solution effect between Y_(2)O_(3) and ZrO_(2),which also caused the evaporation of BaO,resulting in the generation of a Y_(2)O_(3)(ZrO_(2))film on the surface of the ***,the Y_(2)O_(3)(ZrO_(2))had higher thermodynamic stability than Y_(2)O_(3),confirming that the BaZrO_(3)/Y_(2)O_(3) crucible with high density exhibited a superior erosion resistance to titanium *** dual-phase structure provides a strategy to design a long-life and stable refractory for melting titanium alloys.

关键词： Barium zirconate Yttrium oxide Dual-phase refractory Titanium alloy Interaction

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A review on different theoretical models of electrocaloric effect for refrigeration

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Frontiers in Energy 2023年第4期17卷 478-503页

作者： Cancan SHAO A.A.AMIROV Houbing HUANG School of Materials Science and Engineering Beijing Institute of TechnologyBeijing100081China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing100081China Amirkhanov Institute of Physics Daghestan Scientific Center Russian Academy of SciencesMakhachkala367003Russia

The performance parameters for characterizing the electrocaloric effect are isothermal entropy change and the adiabatic temperature change,*** paper reviews the electrocaloric effect of ferroelectric materials based on different theoretical ***,it provides four different calculation scales(the first-principle-based effective Hamiltonian,the Landau-Devonshire thermodynamic theory,phase-field simulation,and finite element analysis)to explain the basic theory of calculating the electrocaloric ***,it comprehensively reviews the recent progress of these methods in regulating the electrocaloric effect and the generation mechanism of the electrocaloric ***,it summarizes and anticipates the exploration of more novel electrocaloric materials based on the framework constructed by the different computational methods.

关键词： electrocaloric effect effective Hamiltonian phase-field modeling different theoretical models

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