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Anisotropic lattice Boltzmann-phase-field modeling of crystal growth with melt convection induced by solid-liquid density change

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Journal of Materials Science & Technology 2020年第22期54卷 26-32页

作者： Hui Xing Xianglei Dong dongke sun Yongsheng Han MOE Key Laboratory of Material Physics and Chemistry Under Extraordinary Shaanxi Key Laboratory for Condensed Matter Structure and PropertiesNorthwestern Polytechnical University710129Xi'anChina College of Materials Science and Engineering Zhengzhou University450001ZhengzhouChina Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments School of Mechanical EngineeringSoutheast UniversityNanjing211189China State Key Laboratory of Advanced Special Steel Shanghai Key Laboratory of Advanced FerrometallurgyShanghai UniversityShanghaiChina The EMMS Group State Key Laboratory of Multiphase Complex Systems.Institute of Process EngineeringChinese Academy of Science100190BeijingChina

Density change is ubiquitous in phase transformation, and it can induce melt convection which strongly influences the crystal growth. Here, an anisotropic lattice Boltzmann-phase-field method was extended to predict the dendritic growth under the shrinkage or expansion melt convection by density change induced. A novel LB equation with an anisotropic coefficient was constructed to model the advancement of ordering parameter, coupling with the passive scalar LB equation for convective and diffusive heat transfer during phase transition. We studied dendritic growth and shape selection with melt convection induced by density change in crystal growth. Results show that the melt convection induced by density change affects strongly the dendritic growth. The shrinkage flow results in a higher tip velocity while the expansion flow leads to a slower one. Predicted Péclet number with respect to the relative density change was compared with an analytical solution. Moreover, the modified selection parameter has been verified by numerical simulations.

关键词： Dendritic growth Density change Melt convection Phase-field method

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An anisotropic lattice Boltzmann-phase field model for dendrite growth and movement in rapid solidification of binary alloys

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npj Computational Materials 2024年第1期10卷 2591-2606页

作者： Shilin Mao Yuting Cao Wei Chen dongke sun Key Laboratory of Structure and Thermal Protection of High Speed Aircraft Ministry of EducationSchool of Mechanical EngineeringSoutheast UniversityNanjing 211189China Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments School of Mechanical EngineeringSoutheast UniversityNanjing 211189China Department of Mechanical Engineering University of Michigan2350 Hayward St.G.G.Brown BuildingAnn ArborMI 48109USA Power Beam Processing Lab AVIC Manufacturing Technology InstituteBeijing 100024China

A model coupling the lattice Boltzmann and the phase field methods with anisotropic effects is proposed,which is used to numerically describe the growth and movement of dendrites in rapid solidification of *** model is quantitatively validated by the simulation of the continuous growth and the drafting-kissing-tumbling phenomenon of two falling particles.

关键词： solidification alloys anisotropic

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Interpolation and extrapolation with the CALPHAD method

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Journal of Materials Science & Technology 2019年第9期35卷 2115-2120页

作者： Qun Luo Cong Zhai dongke sun Wei Chen Qian Li State Key Laboratory of Advanced Special Steel & Shanghai Key Laboratory of Advanced Ferrometallurgy & School of Materials Science and Engineering. Shanghai University & Shanghai Institute of Materials Genome & Materials Genome Institute Shanghai University333 Nanchen RoadShanghai 200444 China School of Mechanical Engineering Southeast UniversityNanjing 211189China Key Laboratory of Power Beam Processing AVIC Manufacturing Technology InstituteBeijing 100024China

It is widely reported that CALPHAD is an extrapolation method when the thermodynamic properties of a multicomponent system are approximated by its *** this work the meaning of the words extrapolation and interpolation is discussed in context of the CALPHAD *** assessing the properties in binary and ternary systems,extrapolation method is indeed often ***,after assessment,the Gibbs energies are in fact interpolated from the lower order systems into the higher order systems in the compositional *** metastable melting temperatures of bcc and hep in Re-W and the liquid miscibility gap in Mg-Zr system are predicted to illustrate the difference between interpolation and extrapolation.

关键词： CALPHAD Interpolation Extrapolation Gibbsenergy

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Development of Phase-Field Modeling in Materials Science in China:A Review

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Acta Metallurgica Sinica(English Letters) 2023年第11期36卷 1749-1775页

作者： Yuhong Zhao Hui Xing Lijun Zhang Houbing Huang dongke sun Xianglei Dong Yongxing Shen Jincheng Wang Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing100083China MOE Key Laboratory of Material Physics and Chemistry Under Extraordinary Shaanxi Basic Discipline(Liquid Physics)Research CenterNorthwestern Polytechnical UniversityXi’an710129China State Key Laboratory of Powder Metallurgy Central South UniversityChangsha410083China School of Materials Science and Engineering Beijing Institute of TechnologyBeijing100081China Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments School of Mechanical EngineeringSoutheast UniversityNanjing211189China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou450001China University of Michigan-Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong UniversityShanghai200240China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an710072China School of Materials Science and Engineering Collaborative Innovation Center of Ministry of Education and Shanxi Province for High-Performance Al/Mg Alloy MaterialsNorth University of ChinaTaiyuan030051China Institute of Materials Intelligent Technology Liaoning Academy of MaterialsShenyang110004China

Phase-field method,as a powerful and popular approach to predict the mesoscale microstructure evolution in various materials science,provides a bridge from atomic-scale methods to the macroscale and has been widely used at an ever-increasing *** paper aims to briefly review the origin,basic idea,and development of phase-field models in a historical *** focus is placed on the classical and state-of-the-art applications in China,including liquid–solid,solid–solid,gas–solid,ferroelectrics/ferromagnetics phase transformation,and crack *** introducing the academic activities in the phase-field community in China,some suggestions for the future development directions of phase-field method are finally mentioned.

关键词： Phase-field method Microstructure Phase transformation Various materials design

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Modeling of microporosity formation and hydrogen concentration evolution during solidification of an Al-Si alloy

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Chinese Physics B 2020年第7期29卷 567-575页

作者： Qingyu Zhang dongke sun Shunhu Zhang Hui Wang Mingfang Zhu Shagang School of Iron and Steel Soochow UniversitySuzhou 215137China Jiangsu Key Laboratory for Advanced Metallic Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments School of Mechanical EngineeringSoutheast UniversityNanjing 211189China State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China

We simulate the evolution of hydrogen concentration and gas pore formation as equiaxed dendrites grow during solidification of a hypoeutectic aluminum-silicon(Al-Si)*** applied lattice Boltzmann-cellular automaton-finite difference model incorporates the physical mechanisms of solute and hydrogen partitioning on the solid/liquid interface,as well as the transports of solute and *** the quantitative validation by the simulation of capillary intrusion,the model is utilized to investigate the growth of the equiaxed dendrites and hydrogen porosity formation for an Al-(5 wt.%)Si alloy under different solidification *** simulation data reveal that the gas pores favorably nucleate in the corners surrounded by the nearby dendrite ***,the gas pores grow in a competitive *** the cooling rate increasing,the competition among different growing gas pores is found to be hindered,which accordingly increases the pore number density in the final solidification *** the late solidification stage,even though the solid fraction is increasing,the mean concentration of hydrogen in the residue melt tends to be constant,corresponding to a dynamic equilibrium state of hydrogen concentration in *** the cooling rate increases or the initial hydrogen concentration decreases,the temperature of gas pore nucleation,the porosity fraction,and the mean porosity size decrease,whilst the mean hydrogen concentration in liquid increases in the late solidification *** simulated data present identical trends with the experimental results reported in literature.

关键词： microporosity solidification microstructure modeling lattice Boltzmann method

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A Diffuse-Interface Lattice Boltzmann Method for the Dendritic Growth with Thermosolutal Convection

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Communications in Computational Physics 2023年第4期33卷 1164-1188页

作者： Chengjie Zhan Zhenhua Chai Baochang Shi Ping Jiang Shaoning Geng dongke sun School of Mathematics and Statistics Huazhong University of Science and TechnologyWuhan430074P.R.China Institute of Interdisciplinary Research for Mathematics and Applied Science Huazhong University of Science and TechnologyWuhan 430074P.R.China Hubei Key Laboratory of Engineering Modeling and Scientific Computing Huazhong University of Science and TechnologyWuhan430074P.R.China The State Key Laboratory of Digital Manufacturing Equipment and Technology School of Mechanical Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074P.R.China School of Mechanical Engineering Southeast UniversityNanjing 211189P.R.China

In this work,we proposed a diffuse-interface model for the dendritic growth with thermosolutal *** this model,the sharp boundary between the fluid and solid dendrite is firstly replaced by a thin but nonzero thickness diffuse interface,which is described by the order parameter,and the diffuse-interface based governing equations for the dendritic growth are *** solve the model for the dendritic growth with thermosolutal convection,we also developed a diffuse-interface multirelaxation-time lattice Boltzmann(LB)*** this method,the order parameter in the phase-field equation is combined into the force caused by the fluid-solid interaction,and the treatment on the complex fluid-solid interface can be *** addition,four LB models are designed for the phase-field equation,concentration equation,temperature equation and the Navier-Stokes equations in a unified ***,we performed some simulations of the dendritic growth to test the present diffuse-interface LB method,and found that the numerical results are in good agreements with some previous works.

关键词： Dendritic growth diffuse interface lattice Boltzmann method phase-field method.

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Numerical aerodynamic analysis of bluff bodies at a high Reynolds number with three-dimensional CFD modeling

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Science China(Physics,Mechanics & Astronomy) 2013年第2期56卷 277-289页

作者： BAI YuGuang YANG Kai sun dongke ZHANG YuGuang KENNEDY David WILLIAMS Fred GAO XiaoWei State Key Laboratory of Structural Analysis for Industrial Equipment Faculty of Vehicle Engineering and MechanicsDalian University of Technology Cardiff School of Engineering Cardiff UniversityCardiff CF24 3AAWalesUK

This paper focuses on numerical simulations of bluff body aerodynamics with three-dimensional CFD(computational fluid dynamics) modeling,where a computational scheme for fluid-structure interactions is *** choice of an appropriate turbulence model for the computational modeling of bluff body aerodynamics using both two-dimensional and three-dimensional CFD numerical simulations is also *** efficient mesh control method which employs the mesh deformation technique is proposed to achieve better simulation *** long-span deck sections are chosen as examples which were stationary and pitching at a high Reynolds *** the proposed CFD method and turbulence models,the force coefficients and flutter derivatives thus obtained are compared with the experimental measurement results and computed values completely from commercial ***,a discussion on the effects of oscillation amplitude on the flutter instability of a bluff body is carried out with extended numerical *** numerical analysis results demonstrate that the proposed three-dimensional CFD method,with proper turbulence modeling,has good accuracy and significant benefits for aerodynamic analysis and computational FSI studies of bluff bodies.

关键词： bluff body aerodynamic analysis fluid-structure interaction three-dimensional CFD modeling flutter

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Magneto-mechanical effect of magnetic microhydrogel for improvement of magnetic neuro-stimulation

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Nano Research 2023年第5期16卷 7393-7404页

作者： Le Xue Qing Ye Linyuan Wu Dong Li Siyuan Bao Qingbo Lu Sha Liu dongke sun Zonghai Sheng Zhijun Zhang Ning Gu Jianfei sun State Key Laboratory of Bioelectronics Jiangsu Key Laboratory of Biomaterials and DevicesSchool of Biological Science and Medical EngineeringSoutheast UniversityNanjing 210009China School of Mechanic Engineering Southeast UniversityNanjing 211189China Department of Neurology Affiliated Zhongda HospitalSchool of MedicineInstitution of NeuropsychiatrySoutheast UniversityNanjing 210009China Paul C.Lauterbur Research Center for Biomedical Imaging Key Laboratory for Magnetic Resonance and Multimodality Imaging of Guangdong ProvinceShenzhen Key Laboratory of Ultrasound Imaging and TherapyCAS Key Laboratory of Health InformaticsInstitute of Biomedical and Health EngineeringShenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China Department of Mental Health and Public Health Faculty of Life and Health SciencesShenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China School of Medicine Nanjing UniversityNanjing 210008China

Superparamagnetic iron oxide(SPIO)nanoparticles play an important role in mediating precise and effective magnetic neurostimulation and can help overcome limitations related to penetration depth and spatial ***,nanoparticles readily diffuse in vivo,decreasing the spatial resolution and activation *** this study,we employed a microfluidic means to fabricate injectable microhydrogels encapsulated with SPIO nanoparticles,which significantly improved the stability of nanoparticles,increased the magnetic properties,reinforced the stimulation *** fabricated magnetic microhydrogels were highly uniform in size and sphericity,enabling minimally invasive injection into brain *** long-term residency in the cortex up to 22 weeks and the safety of brain tissue were shown using a mouse *** addition,we quantitatively determined the magneto-mechanical force yielded by only one magnetic microhydrogel using a video-based *** force was found to be within 7–8 pN under 10 Hz magnetic stimulation by both theoretical simulation and experimental ***,electrophysiological measurement of brain slices showed that the magnetic microhydrogels offer significant advantages in terms of neural activation relative to dissociative SPIO nanoparticles.A universal strategy is thus offered for performing magnetic neuro-stimulation with an improved prospect for biomedical translation.

关键词： magnetic stimulation superparamagnetic iron oxide(SPIO)nanoparticles magnetic microhydrogel long-term residency magneto-mechanical effect

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A numerical study on pattern selection in crystal growth by using anisotropic lattice Boltzmann-phase field method

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Chinese Physics B 2020年第2期29卷 446-457页

作者： Zhaodong Zhang Yuting Cao dongke sun Hui Xing Jincheng Wang Zhonghua Ni School of Mechanical Engineering Southeast UniversityNanjing 211189China MOE Key Laboratory of Material Physics and Chemistry under Extraordinary Shaanxi Key Laboratory for Condensed Matter Structure and PropertiesNorthwestern Polytechnical University(NPU)Xi'an 710129China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China

Pattern selection during crystal growth is studied by using the anisotropic lattice Boltzmann-phase field *** the model,the phase transition,melt flows,and heat transfer are coupled and mathematically described by using the lattice Boltzmann(LB)*** anisotropic streaming-relaxation operation fitting into the LB framework is implemented to model interface advancing with various preferred *** pattern evolutions are then numerically investigated in the conditions of with and without melt *** is found that melt flows can significantly influence heat transfer,crystal growth behavior,and phase *** crystal morphological transition from dendrite,seaweed to cauliflower-like patterns occurs with the increase of *** interface normal angles and curvature distributions are proposed to quantitatively characterize crystal *** results demonstrate that the distributions are corresponding to crystal morphological features,and they can be therefore used to describe the evolution of crystal patterns in a quantitative way.

关键词： lattice Boltzmann crystal growth phase field melt flow pattern selection

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液滴在亲水表面快速铺展过程中的溅射现象

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微纳电子技术 2017年第12期54卷 817-823,846页

作者：吴梁玉于程 sun dongke 王菲扬州大学能源与动力工程学院江苏扬州225009 东南大学能源与环境学院南京210096 CompuTherm LLC Middleton Wisconsin 53562 盐城工业职业技术学院机电工程学院江苏盐城224005

采用格子Boltzmann方法,建立了液滴在亲水固体表面上快速铺展过程的三维非稳态理论模型。研究了液滴铺展的动态过程,分析了液滴的形貌变化,比较了固体表面润湿性和液滴的运动黏度对液滴铺展过程的影响,获得了溅射现象产生的原因。研究... 详细信息

采用格子Boltzmann方法,建立了液滴在亲水固体表面上快速铺展过程的三维非稳态理论模型。研究了液滴铺展的动态过程,分析了液滴的形貌变化,比较了固体表面润湿性和液滴的运动黏度对液滴铺展过程的影响,获得了溅射现象产生的原因。研究结果表明,液滴接触到亲水固体表面后,从底部产生的毛细波是造成液滴颈部断裂和溅射现象的主要原因;固体表面的接触角越小,液滴铺展的速度越快,越容易产生溅射现象;黏性力在铺展过程中起到减缓液滴铺展的作用,液滴的运动黏度越大,越难产生溅射现象。

关键词：液滴铺展亲水表面溅射现象接触角格子Boltzmann方法

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