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Magnetic modulation of keyhole instability during laser welding and additive manufacturing

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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The effect of rotation speed and mixer size on granular flow and mixing in bladed mixers 9

The effect of rotation speed and mixer size on granular flow...

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9th International Conference on Micromechanics on Granular Media, Powders and Grains 2021

作者： Herman, Angga Gan, Jieqing Yu, Aibing Laboratory of Simulation and Modelling of Particulate System ARC Hub for Computational Particle Technology Department of Chemical Engineering Monash University MelbourneVIC3800 Australia

Bladed mixers are widely used in the industry for granular mixing. In the past decades, the mixing of particles in bladed mixers has been extensively investigated experimentally and numerically. Recently, GPU-based DEM has been employed to simulate various industrial-scale applications. This work aims to apply the GPU-based DEM to investigate the effect of rotation speed and mixer size on granular mixing in bladed mixers of different sizes. The simulation in a larger mixer revealed distinct particle flow patterns that well-describe the mixing mechanism which is difficult to observe in a smaller mixer. The Lacey’s mixing index curves revealed a delay in mixing as the mixer size increases. The mixing rate decreases as the mixer size increases and it can be improved with increasing rotation speed. The average particle velocity increase significantly with increasing rotation speed and mixer size. © The Authors, published by EDP Sciences.

关键词： Mixers (machinery)

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Nucleotide binding domain 1 pharmacophore modeling for visualization and analysis of P-glycoprotein-flavonoid molecular interactions

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Frontiers in Biology 2016年第5期11卷 391-395页

作者： Pathomwat Wongrattanakamon Vannajan Sanghiran Lee Piyarat Nimmanpipug Supat Jiranusomkul Laboratory for Molecular Design and Simulation (LMDS) Department of Pharmaceutical Sciences Faculty of Pharmacy Chiang Mai University Chiang Mai 50200 Thailand Department of Chemistry Faculty of Science University of Malaya Kuala Lumpur 50603 Malaysia Computational Simulation and Modelling Laboratory (CSML) Department of Chemistry Faculty of Science Chiang Mai University Chiang Mai 50200 Thailand

BACKGROUND： P-glycoprotein （P-gp） is a 170-kDa membrane protein. It provides a barrier function and help to excrete toxins from the body as a transporter. Some bioflavonoids have been shown to block P-gp activity. OBJECTIVE： To evaluate the important amino acid residues within nucleotide binding domain 1 （NBD l） of P-gp that play a key role in molecular interactions with flavonoids using structure-based pharmacophore model. METHODS： In the molecular docking with NBD 1 models, a putative binding site of flavonoids was proposed and compared with the site for ATP. The binding modes for ligands were achieved using LigandScout to generate the P-gp-flavonoid pharmacophore models. RESULTS： The binding pocket for flavonoids was investigated and found these inhibitors compete with the ATP for binding site in NBD1 including the NBD1 amino acid residues identified by the in silico techniques to be involved in the hydrogen bonding and van der Waals （hydrophobic） interactions with flavonoids. CONCLUSION： These flavonoids occupy with the same binding site of ATP in NBD1 proffering that they may act as an ATP competitive inhibitor.

关键词： P-glycoprotein Nucleotide-binding domain 1 pharmacophore model flavonoid competitive inhibition herb-drug interaction

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Co-firing of coal and biomass in oxy-fuel fluidized bed for CO2 capture: A review of recent advances

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Chinese Journal of Chemical Engineering 2019年第10期27卷 2261-2272页

作者： Qinwen Liu Yan Shi Wenqi Zhong Aibing Yu Key Laboratory of Energy Thermal Conversion and Control of the Ministry of Education School of Energy and EnvironmentSoutheast UniversityNanjing 210096China Center for Simulation and Modelling of Particulate Systems Southeast University-Monash University Joint Research InstituteSuzhou 215000China 3 ARC Research Hub for Computational Particle TechnologyDepartment of Chemical EngineeringMonash UniversityClaytonVIC 3800Australia

The co-firing of coal and biomass in oxy-fuel fluidized beds is one of the most promising technologies for capturing *** technology has attracted wide attention from academia and industry in recent years as a negative emission method to capture CO2 produced by carbon contained in *** the past decades,many studies have been carried out regarding experiments and numerical simulations under oxy-fuel combustion *** paper firstly briefly discusses the techno-economic viability of the biomass and coal co-firing with oxycombustion and then presents a review of recent advancements involving experimental research and computational fluid dynamics(CFD)simulations in this *** studies on mechanism research,such as thermogravimetric analysis and tube furnace experiments,and fluidized bed experiments based on oxy-fuel fluidized beds with different sizes as well as the main findings,are summarized as a part of this *** has been recognized that CFD is a useful approach for understanding the behaviors of the co-firing of coal and biomass in oxyfuel fluidized *** summarize a recent survey of published CFD research on oxy-fuel fluidized bed combustion,which categorized into Eulerian and Lagrangian ***,we discuss the challenges and interests for future research.

关键词： Oxy-fuel combustion Co-firing of coal and biomass Oxy-fuel fluidized bed CFD simulation

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Particle shape effect on hydrodynamics and heat transfer in spouted bed:A CFD-DEM study

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Particuology 2022年第10期20卷 10-21页

作者： Dianyu E Peng Zhou Suya Guo Jia Zeng Jiaxin Cui Youyuan Jiang Yuanxiang Lu Zeyi Jiang Zhengquan Li Shibo Kuang Jiangxi Provincial Key Laboratory for Simulation and Modelling of Particulate Systems Jiangxi University of Science and TechnologyGanzhou 341000China Ironmaking Plant Xiangtan Iron and Steel Corporation of Hunan HualingXiangtan 411101China School of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China ARC Research Hub for Computational Particle Technology Department of Chemical EngineeringMonash UniversityClaytonVIC 3800Australia

Spouted bed has drawn much attention due to its good heat and mass transfer efficiency in many chemical *** the flow patterns and heat and mass transfer inside a spouted bed can help optimize the spouting ***,in this study,the effects of particle shape on the hydrodynamics and heat transfer in a spouted bed are *** is done by using a validated computational fluid dynamics-discrete element method(CFD-DEM)model,considering volume-equivalent spheres and oblate and prolate *** results are analysed in detail in terms of the flow pattern,microstruc-ture,and heat transfer *** numerical results show that the prolate spheroids(Ar=2.4)form the largest bubble from the beginning of the spouting process and rise the highest because the fluid drag forces can overcome the interlocking and particle-particle frictional *** with spherical particles,ellipsoidal spheroids have better mobility because of the stronger rotational kinetic energy resulting from the rough surfaces and nonuniform *** addition,the oblate spheroid system exhibits better heat transfer performance benefiting from the larger surface area,while prolate spheroids have poor heat transfer efficiency because of their orientation *** findings can serve as a reference for optimizing the design and operation of complex spouted beds.

关键词： Spouted bed Gas-solid flow Particle shape CFD-DEM Heat transfer

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Role of dermatomes in the determination of therapeutic characteristics of channel acupoints: A similarity-based analysis of data compiled from literature

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Chinese Medicine (United Kingdom) 2013年第1期8卷 1-12页

作者： Ferreira, Arthur S. Luiz, Alexandre B. Laboratory of Computational Simulation and Modelling in Rehabilitation Postgraduate Program of Rehabilitation Science Centro Universitário Augusto Motta Bonsucesso Rio de Janeiro Praça das Nações 34 3 oandar Brazil School of Acupuncture Centro Universitário Augusto Motta Rio de Janeiro Brazil

Background: Analysis of the relationship between the nervous system anatomy and the therapeutic characteristics of all acupuncture points in the channel network may provide new insights on the physiological mechanisms underlying acupuncture stimulation for prevention, treatment, and rehabilitation purposes. This study investigates the association between the similarity of acupoints' dermatomes, traditional actions, and contemporary ***: Channel acupoints had their characteristics annotated from a literature review of four topographic atlases of Chinese medicine and one atlas of human anatomy: initials of the channel's name (n = 14), sequential number in the channel (n = 67), acupoint's name (n = 361), dermatomes related to perpendicular needle insertion (n = 31), traditional actions (n = 848), and contemporary indications (n = 1143). Jaccard's similarity coefficient quantified the similarities between dual acupoints. All dual acupoints were evaluated to generate similarity matrices for each nominal variable. Cross-tables were generated by simultaneous classification of variables into levels of similarity with respect to: dermatomes versus traditional actions, dermatomes versus contemporary indications, and traditional actions versus contemporary indications. Goodman-Kruskal γ and Rousson γ*² were calculated based on cross-tables, bootstrap and permutated samples to evaluate the association and determination coefficient between variables, ***: Significant associations were observed between levels of similarities of dermatomes and traditional actions (γ = 0.542;P < 0.001), dermatomes and contemporary indications (γ = 0.657;P < 0.001), and traditional actions and contemporary indications (γ = 0.716;P < 0.001). Similarities of dermatomes explained 16% of the variance of traditional actions and 25% of contemporary indications. Traditional actions explained 30% of the variance of contemporary indications. The association between

关键词： Chinese Medicine Channel Network Therapeutic Characteristic Traditional Action Acupuncture Stimulation

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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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Nucleotide-binding domain 1 modelling: A novel molecular docking approach for screening of P-glycoprotein inhibitory activity of bioflavonoids

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Chemical Data Collections 2016年 2卷 10-16页

作者： Pathomwat Wongrattanakamon Vannajan Sanghiran Lee Piyarat Nimmanpipug Supat Jiranusornkul Laboratory for Molecular Design and Simulation (LMDS) Department of Pharmaceutical Sciences Faculty of Pharmacy Chiang Mai University Chiang Mai 50200 Thailand Department of Chemistry Faculty of Science University of Malaya Kuala Lumpur 50603 Malaysia Computational Simulation and Modelling Laboratory (CSML) Department of Chemistry Faculty of Science Chiang Mai University Chiang Mai 50200 Thailand

Modulation of P-glycoprotein (P-gp)’s function may lead to significant changes in the prescription drugs’ pharmacokinetic profiles and increase potential risks in occurring of drug-drug including herb-drug interactions. This computational structured-based study aimed to screen bioflavonoids which play a role in herb-drug interactions as a P-gp inhibitor utilising molecular docking analysis. 25 flavonoids were used as ligands for docking study. The mouse P-gp (code: 4Q9H) was acquired from the Protein Data Bank (PDB). Docking analysis was operated utilising AutoDock 4.2.6. A lowest estimated free energy of binding value in a cluster of each flavonoid against nucleotide-binding domain 1 (NBD1) of P-gp was analysed. The result points out the high correlation between the estimated free energies of binding and percentage of inhibitory efficiency values of flavonoids applied in the molecular modelling that is powerful and capable to predict potential P-gp interactions among flavonoids and its substrates.

关键词： Nucleotide-binding domain 1 P-glycoprotein Flavonoids Molecular docking Herb-drug interactions

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Transient growth: Experiments, DNS and theory

Transient growth: Experiments, DNS and theory

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4th International Symposium on Turbulence and Shear Flow Phenomena, TSFP 4

作者： Ergin, F. Gökhan Choudhari, Meelan Fischer, Paul Tumin, Anatoli Mechanical and Aerospace Engineering Department Case Western Reserve University Cleveland OH 44106 United States Computational Modelling and Simulation Branch NASA Langley Research Center Hampton VA 23681 United States Mathematics and Computer Science Division Argonne National Laboratory Argonne IL 60439 United States Department of Aerospace and Mechanical Engineering University of Arizona Tucson AZ 85721 United States

Transient growth of linearly stable disturbances is believed to play an important role in the subcritical transition of laminar boundary layers and the self-sustained nature of boundary layer fluctuations in a fully turbulent flow. Prior work on transient growth has focused on identifying the optimum initial disturbances that result in maximum transient growth. This paper addresses the companion issue of receptivity of those disturbances, the mechanism that determines the actual magnitudes of transient growth that are realized in a given physical situation. A synergistic combination of experimental, computational, and theoretical approaches is used to quantify the flow receptivity to surface roughness in a Blasius boundary layer. Results reveal the non-optimality of the transient growth factors involved as well as the sensitive dependence of flow perturbations to the geometric characteristics of the roughness distribution. Direct numerical simulations (DNS) are compared in detail with experimental results, results obtained from linear receptivity theory and optimal disturbance calculations. DNS shows good agreement with the experimental results. Differences between the linear theory and DNS are attributed to nonlinear receptivity mechanisms. Results also support the proposal by Fransson et al. (2004) that disagreement between optimal disturbances and experiments/DNS may be attributed to differences involving the wall normal location of the streamwise vortex initiating the transient growth.

关键词： Laminar boundary layer

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Improved Ductility by Reducing Powder Size in Laser Powder Bed Fusion of AlSi10Mg

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Additive Manufacturing Frontiers 2024年第1期3卷 160-172页

作者： Fuzhong Chu Haopeng Shen Jianwen Li Juan Hou Kai Zhang Zongyan Zhou Yuman Zhu Xinhua Wu Aijun Huang ARC Research Hub for Computational Particle Technology Department of Chemical and Biological EngineeringMonash UniversityClaytonVIC 3800Australia Monash Centre for Additive Manufacturing Monash UniversityNotting HillVIC 3168Australia Department of Materials Science and Engineering Monash UniversityClaytonVIC 3800Australia School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai200093China Jiangxi Provincial Key Laboratory for Simulation and Modelling of Particulate Systems Jiangxi University of Science and TechnologyNanchang330013China

Strict control of powder properties,especially particle size distribution(PSD),is critical in the laser powder bed fusion(LPBF)process to ensure the quality of the fabricated *** work shows that reducing the powder size could improve the ductility of LPBF fabricated *** tensile elongation increased from 4.1%to 8.8%when AlSi10Mg powder sizes(D50 value)decreased from 76μm to 16μm in the as-fabricated *** results showed that fine powder size stimulates epitaxial grain growth due to excessive *** presence of epitaxial columnar grains makes the crack path across inner melt pools more frequent and travels from the coarse melt pool zones to the fine melt pool *** work suggests that powder size is a crucial factor to be considered in maintaining repeatable mechanical properties in LPBF processes,particularly when ductility and ductility-dominated properties are critical.

关键词： Particle size distribution Laser powder bed fusion Ductility Epitaxial columnar grain

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