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Materials Processing Fundamentals Symposium, 2025, held as part of the TMS Annual Meeting and Exhibition, TMS 2025

作者： Soar, P. Krastins, I. Brown, P. Draper, O. Green, N. Kao, A. Computational Science and Engineering Group Centre for Advanced Simulation and Modelling University of Greenwich London United Kingdom Rolls-Royce Plc. Derby United Kingdom High Temperature Research Centre School of Metallurgy and Materials University of Birmingham Birmingham United Kingdom

ISBN: (纸本)9783031810527

Dendritic competitionDendritic growth competition in solidifying metal alloys is a key component in the formation of the microstructure of metal parts that dictates their material properties. Many 2D studies of dendritic competition have been performed, but these represent a largely idealised representation of the behaviour observed in experiments, overlooking the complexities of the full range of 3D orientations3D orientations and the impact these geometric changes have on the interactionInteraction of grains at a dendritic level. To explore this effect in more detail a parametric numerical modelling study using a Cellular Automata dendritic solidificationSolidification code has been performed to examine the competition of bi-crystalBi crystals systems at an industrially relevant scale. For this solidifying system, this study will vary the 3D orientations3D orientations of the competing bi-crystalsBi crystals, test different thermal conditions, and assess the impact of fluid flowFluid flow. Where possible reference to observed experimental results will be presented to support the results obtained using the modelling. © The Minerals, Metals & Materials Society 2025.

关键词： Bismuth alloys

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Applying machine-learning screening of single transition metal atoms anchored on N-dopedγ-graphyne for carbon monoxide electroreduction toward C_(1)products

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Nano Research 2023年第8期16卷 11511-11520页

作者： Dongxu Jiao Dantong Zhang Dewen Wang Jinchang Fan Xingcheng Ma Jingxiang Zhao Weitao Zheng Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and Engineeringand Key Laboratory of Automobile Materials of MOEJilin UniversityChangchun 130012China College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025China Multiscale Crystal Materials Research Center Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China

Carbon monoxide electroreduction(COER)has been a key part of tandem electrolysis of carbon dioxide(CO_(2)),in which searching for high catalytic performance COER electrocatalysts remains a great ***,by means of density functional theory(DFT)computations,we explored the potential of a series of transition metal atoms anchored on N-dopedγ-graphyne(TM@N-GY,TM from Ti to Au)as the COER *** found that the final product selectivity of these single-atom catalysts depended on the position of the metal atom in the periodic table,with metals in the front and middle of each periodic period exhibiting high selectivity for CH_(4),while metals in the back producing CH_(3)*** learning(ML)found that metal atomic number was intrinsic to the difference in COER performance of these single-atom catalysts(SACs).The free energy changes showed that Mn@N-GY and Ni@N-GY exhibited outstanding COER catalytic performance for producing CH_(4)and CH_(3)OH,*** results provide theoretical and experimental guidance for designing efficient COER catalysts to generate C_(1)products.

关键词： CO electroreduction single atom catalysts γ-graphyne density functional theory machine learning

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Magnetic modulation of keyhole instability during laser welding and additive manufacturing

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science (New York, N.Y.) 2025年第6736期387卷 864-869页

作者： Fan, Xianqiang Fleming, Tristan G. Clark, Samuel J. Fezzaa, Kamel Getley, Anna C M Marussi, Sebastian Wang, Hongze Leung, Chu Lun Alex Kao, Andrew Lee, Peter D. Mechanical Engineering University College London London United Kingdom Research Complex at Harwell Harwell Campus Didcot United Kingdom Department of Physics Engineering Physics & Astronomy Queen's University Kingston ON Canada X-ray Science Division Argonne National Laboratory Lemont IL United States State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong University Shanghai China School of Materials Science and Engineering Shanghai Jiao Tong University Shanghai China Computational Science and Engineering Group Centre for Advanced Simulation and Modelling University of Greenwich London United Kingdom

Keyhole instability during laser welding and laser powder bed fusion (LPBF) can cause keyhole collapse and pore formation. Using high-speed x-ray imaging, we demonstrate that the flow vortex-induced protrusion on the rear keyhole wall is crucial in initiating keyhole instability. Applying a transverse magnetic field suppresses the keyhole instability by driving a secondary thermoelectric magnetohydrodynamics (TEMHD) flow that alters the net flow vortex. This minimizes protrusions and large-amplitude keyhole oscillations. The suppression effectiveness depends on the laser scanning direction relative to the magnetic field orientation because this controls the Seebeck effect-induced Lorentz force's direction. We show that at LPBF length scales, electromagnetic damping is weak, and for alloys with a large Seebeck coefficient, TEMHD becomes the dominant mechanism controlling flow behind the keyhole.

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Efficient and selective recovery of Gd(Ⅲ)via polyethyleneimine modification of lanthanum-based metal-organic frameworks

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Journal of Rare Earths 2024年第1期42卷 210-219,I0007页

作者： Wenhao Li Lijinhong Huang Bin Xiao Xiaoguang Duan Haike Li Lang Li Wanfu Huang Ganzhou Key Laboratory of Basin Pollution Simulation and Control Jiangxi University of Science and TechnologyGanzhou341000China Innovation Center for Water Quality Security Technology at Ganjiang River Basin Jiangxi University of Science and TechnologyGanzhou341000China Faculty of Science and Engineering WA School of Mines:MineralsEnergy and Chemical EngineeringCurtin UniversityWAAustralia School of Architecture and Design Jiangxi University of Science and TechnologyGanzhou341000China School of Resources and Architectural Engineering Gannan University of Science and TechnologyGanzhou341000China School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaideSA5005Australia School of Resource and Environmental Engineering Jiangxi University of Science and TechnologyGanzhou341000China

With the development of the economy and the increasing demand for environmental protection,the efficient and selective recovery of Gd(Ⅲ)from actual wastewater is of critical *** this work,lanthanum-based metal-organic framework(LaBDC)materials were prepared by a hydrothermal method,and then polyethyleneimine(PEI)and LaBDC were combined by an impregnation method to form a novel LaBDC@xPEI *** prepared materials were characterized using Fourier transfo rm infrared spectroscopy(FTIR),X-ray diffraction(XRD),scanning electron microscopy(SEM),energy dispersive X-ray spectroscopy(EDX),B runauer-Emmett-Teller(BET),thermogravimetric analysis(TGA)and X-ray photoelectron spectroscopy(XPS).Experiments show that LaBDC@50%PEI has the highest adsorption capacity(181.77 mg/g)among lanthanum-based MOFs with different PEI loadings at pH=5.5,which is about 5.1 times that of bare *** adsorption isotherm analysis shows that LaBDC@50%PEI follows the Langmuir *** addition,the adsorption kinetics of LaBDC@50%PEI follows a pseudo-second-order kinetic model,indicating that the adsorption process is chemical *** is worth noting that LaBDC@50%PEI maintains good adsorption performance and stability after three recycling tests,and exhibits excellent selectivity in cation interference ***,the LaBDC@50%PEI composites possess good stability and hold great promises in rapid recovery of Gd(Ⅲ)from practical aqueous environments.

关键词： Wet-impregnation method Polyethylene imine Metaleorganic frameworks Lanthanum Recovery of Gd(Ⅲ) Rare earths

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Analyzing Recorded Video to Evaluate How Engaged and Emotional Students Are in Remote Learning Environments 6

Analyzing Recorded Video to Evaluate How Engaged and Emotion...

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6th International Conference on Intelligent Systems and Computer Vision, ISCV 2024

作者： Abdellaoui, Benyoussef Remaida, Ahmed Sabri, Zineb Abdellaoui, Mohammed El Bouzekri El Idrissi, Younes Moumen, Aniss Ibn Tofaïl University Laboratory of Engineering Sciences National School of Applied Sciences Kenitra Morocco Ibn Tofaïl University Laboratory of Computer Science Faculty of Sciences Kenitra Morocco Mohammed V University LPHE-Modelling and Simulation Faculty of Sciences Rabat Morocco

ISBN: (纸本)9798350350180

The prevalence of distance learning has led to an increasing concern regarding the dropout rate in educational environments. However, efforts are being made to enhance the quality of learning in academic institutions by changing learning platforms and teaching methods. Many unresolved problems exist, such as increasing school dropout rates and little attention to students' emotional state and health conditions. The proposed solution involves analyzing recorded student videos, which will provide valuable insights into student emotion and engagement and help to reduce the dropout rate. This paper proposes a new approach to assessing students' engagement and emotional states in distance learning environments without direct interaction. This study suggests a system for analyzing student-recorded video sequences in remote learning scenarios. The proposed approach combines advanced algorithms and machine learning methods to assess students' levels of engagement and identify their emotions. The study's findings show how an intelligent application may be created to assist educators in evaluating the feelings and engagement of their students. For instructors, this application is a valuable resource. It gives them insightful information on the experiences of their students and helps them adjust their teaching methods accordingly. © 2024 IEEE.

关键词： Video analysis

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How does the X(3872) show up in e+e− collisions: Dip versus peak

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Physical Review D 2024年第11期109卷 L111501-L111501页

作者： Vadim Baru Feng-Kun Guo Christoph Hanhart Alexey Nefediev Institut für Theoretische Physik II CAS Key Laboratory of Theoretical Physics School of Physical Sciences Peng Huanwu Collaborative Center for Research and Education Southern Center for Nuclear-Science Theory (SCNT) Institute of Modern Physics Institute for Advanced Simulation Jamova 39 1000 Ljubljana Slovenia CeFEMA Center of Physics and Engineering of Advanced Materials

We demonstrate that the dip observed near the total energy of 3872 MeV in the recent cross section data from the BESIII Collaboration for e+e−→J/ψπ+π− admits a natural explanation as a coupled-channel effect: it is a consequence of unitarity and a strong S-wave DD¯* attraction that generates the state X(3872). We anticipate the appearance of a similar dip in the e+e−→J/ψπ+π−π0 final state near the D*D¯* threshold driven by the same general mechanism, then to be interpreted as a signature of the predicted spin-2 partner of the X(3872).

关键词： Hadron production Exotic mesons Quarkonia

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Ordered mesoporous materials for water pollution treatment:Adsorption and catalysis

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Green Energy & Environment 2024年第8期9卷 1239-1256页

作者： Peng Zhang Mingming He Wei Teng Fukuan Li Xinyuan Qiu Kexun Li Hao Wang College of Environmental Science and Engineering MOE Key Laboratory of Pollution Processes and Environmental CriteriaTianjin Key Laboratory of Environmental Remediation and Pollution TreatmentTianjin Key Laboratory of Environmental Technology for Complex Trans-Media PollutionNankai UniversityTianjin300350China Department of Chemistry and State Key Laboratory Marine Pollution Hong Kong Institute for Advanced Study City University of Hong KongHong Kong999077China State Key Laboratory for Pollution Treatment College of Environmental Science and EngineeringShanghai Institute of Pollution Treatment and Ecological SecurityTongji UniversityShanghai200092China State Key Laboratory of Simulation and Regulation of Water Cycles in River Basins China Institute of Water Resources and Hydropower ResearchBeijing100038China

To meet the growing emission of water contaminants,the development of new materials that enhance the efficiency of the water treatment system is *** mesoporous materials provide opportunities in environmental processing applications due to their exceptionally high surface areas,large pore sizes,and enough pore *** properties might enhance the performance of materials concerning adsorption/catalysis capability,durability,and *** this review,we enumerate the ordered mesoporous materials as adsorbents/catalysts and their modifications in water pollution treatment from the past decade,including heavy metals(Hg^(2+),Pb^(2+),Cd^(2+),Cr^(6+),etc.),toxic anions(nitrate,phosphate,fluoride,etc.),and organic contaminants(organic dyes,antibiotics,etc.).These contributions demonstrate a deep understanding of the synergistic effect between the incorporated framework and homogeneous active ***,the challenges and perspectives of the future developments of ordered mesoporous materials in wastewater treatment are *** work provides a theoretical basis and complete summary for the application of ordered mesoporous materials in the removal of contaminants from aqueous solutions.

关键词： Water pollution treatment Ordered mesoporous materials Toxic contaminants Adsorption Catalysis

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Numerical study of effects of hydrogen addition on methane combustion behaviors

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Journal of Iron and Steel Research International 2023年第11期30卷 2173-2185页

作者： Dian-yu E Ling-yi Weng Guang-wu Tang Jing Li Guang-chao Wei Jia-xin Cui Jiangxi Provincial Key Laboratory for Simulation and Modelling of Particulate Systems Jiangxi University of Science and TechnologyNanchang330013JiangxiChina International Institute for Innovation Jiangxi University of Science and TechnologyNanchang330013JiangxiChina Shenzhen Smoore Technology Limited Shenzhen518102GuangdongChina ARC Research Hub for Computational Particle Technology Department of Chemical and Biological EngineeringMonash UniversityClaytonVIC3800Australia School of Transportation and Vehicle Engineering Shandong University of TechnologyZibo255000ShandongChina

The methane combustion with hydrogen addition can effectively reduce carbon emissions in the iron and steel making industry,while the combustion mechanism is still poorly *** oxy-fuel combustion of methane with hydrogen addition in a 0.8 MW oxy-natural gas combustion experimental furnace was numerically studied to investigate six different combustion *** results show that the 28-step chemical reaction mechanism is the optimal recommendation for the simulation balancing the numerical accuracy and computational *** the hydrogen enrichment increases in fuel,the highest flame temperature ***,the chemical reaction accelerates with enlarging the peak of the highest flame temperature and intermediate OH *** the hydrogen enrichment reaches 75 vol.%,the flame front is the farthest,and the flame high-temperature zone occupies the largest proportion corresponding to the most vigorous chemical reactions in the same oxygen supply.

关键词： Oxy-fuel combustion Hydrogen Combustion mechanism Flame temperature simulation Modeling

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Pumping and sliding of droplets steered by a hydrogel pattern for atmospheric water harvesting

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National science Review 2023年第12期10卷 181-192页

作者： Wei Zhang Qinghua Ji Gong Zhang Zhenao Gu Haozhi Wang Chengzhi Hu Huijuan Liu Zhiyong Jason Ren Jiuhui Qu Center for Water and Ecology State Key Joint Laboratory of Environment Simulation and Pollution ControlSchool of Environment Tsinghua University Key Laboratory of Drinking Water Science and Technology Research Center for Eco-Environmental Sciences Chinese Academy of Sciences University of Chinese Academy of Sciences Joint School of National University of Singapore and Tianjin University International Campus of Tianjin University Key Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education) School of Materials Science and EngineeringTianjin University Department of Civil and Environmental Engineering and Andlinger Center for Energy and the Environment Princeton University

Atmospheric water harvesting is an emerging strategy for decentralized and potable water supplies. However,water nucleation and microdroplet coalescence on condensing surfaces often result in surface flooding owing to the lack of a sufficient directional driving force for shedding. Herein, inspired by the fascinating properties of lizards and catfish, we present a condensing surface with engineered hydrogel patterns that enable rapid and sustainable water harvesting through the directional pumping and drag-reduced sliding of water droplets. The movement of microscale condensed droplets is synergistically driven by the surface energy gradient and difference in Laplace pressure induced by the arch hydrogel patterns. Meanwhile, the superhydrophilic hydrogel surface can strongly bond inner-layer water molecules to form a lubricant film that reduces drag and facilitates the sliding of droplets off the condensing surface. Thus, this strategy is promising for various water purification techniques based on liquid–vapor phase-change processes.

关键词： atmospheric water harvesting droplet manipulation bio-inspired condensation

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Realizing the air brazing of ZrO_(2) ceramics through Al metal

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Journal of Materiomics 2022年第3期8卷 662-668页

作者： Yaotian Yan Baishen Liu Tianxiong Xu Liang Qiao Shaohua Qin Jian Cao Junlei Qi State Key Laboratory of Advanced Welding and Joining Harbin Institute of TechnologyHarbin150001China Key Laboratory of Materials Design and Quantum Simulation College of ScienceChangchun UniversityChangchun130022China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China

The exploration towards cost-effective filler metal for ceramics joining has always been the key issues for ceramics ***,we reveal that the Al metal prefers to spread on the ZrO_(2) based ceramic under the air heating condition,due to the geometric limit effects by in-situ formed dense Al2O3 *** by this,the joining of ZrO_(2) based ceramics was realized in air with Al metal as filler,through the diffusion of Al towards ceramic *** Al element can induce obvious interfacial bonding effect on Al2O3 layer and ZrO_(2) ceramic,where the hybridization among the Al-p,Zr-d and O-p orbitals plays a key *** in-situ formed Al2O3 layer on Al filler surface is vital for forming the fine interface(shear strength of~36 MPa),which results in the relief of lattice mismatch and peak stress at ceramic-filler metal transition interface.

关键词： Ceramics Density functional theory Interfacial behavior Diffusion

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