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 t...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.展开更多
A regularization of the surface tension anisotropic function used in vapor-liquid-solid nanowire growth was introduced into the quantitative phase-field model to simulate the faceted growth in solidification of alloys...A regularization of the surface tension anisotropic function used in vapor-liquid-solid nanowire growth was introduced into the quantitative phase-field model to simulate the faceted growth in solidification of alloys.Predicted results show that the value of δ can only affect the region near the tip,and the convergence with respect to δ can be achieved with the decrease of δ near the tip.It can be found that the steady growth velocity is not a mo no tonic function of the cusp amplitude,and the maximum value is approximately at ε=0.8 when the supersaturation is fixed.Moreover,the growth velocity is an increasing function of supersaturation with the morphological transition from facet to dendrite.展开更多
The closure problem of turbulence is still a challenging issue in turbulence modeling. In this work, a stability condition is used to close turbulence. Specifically, we regard single-phase flow as a mixture of turbule...The closure problem of turbulence is still a challenging issue in turbulence modeling. In this work, a stability condition is used to close turbulence. Specifically, we regard single-phase flow as a mixture of turbulent and non-turbulent fluids, separating the structure of turbulence. Subsequently, according to the picture of the turbulent eddy cascade, the energy contained in turbulent flow is decomposed into different parts and then quantified. A turbulence stability condition, similar to the principle of the energy-minimization multi-scale （EMMS） model for gas-solid systems, is formulated to close the dynamic constraint equa- tions of turbulence, allowing the inhomogeneous structural parameters of turbulence to be optimized. We name this model as the ＂EMMS-based turbulence model＂, and use it to construct the corresponding turbulent viscosity coefficient. To validate the EMMS-based turbulence model, it is used to simulate two classical benchmark problems, lid-driven cavity flow and turbulent flow with forced convection in an empty room, The numerical results show that the EMMS-hased turbulence model improves the accuracy of turbulence modeling due to it considers the principle of compromise in competition between viscosity and inertia.展开更多
Fully resolved simulations of particulate and aggregative fluidization systems are performed suc-cessfully with the so-called combined lattice Boltzmann method and time-driven hard-sphere model （LBM-TDHS）. In this m...Fully resolved simulations of particulate and aggregative fluidization systems are performed suc-cessfully with the so-called combined lattice Boltzmann method and time-driven hard-sphere model （LBM-TDHS）. In this method, the discrete particle phase is described by time-driven hard-sphere model, and the governing equations of the continuous fluid phase are solved with lattice Boltz-mann method. Particle-fluid coupling is implemented by immersed moving boundary method. Time averaged flow structure of the simulated results show the formation of core-annulus structure and sigmoid distribution of voidage in the axial direction, which are typical phenomena in fluidization systems. Combining the results of the simulation, the energy consumption Nst for suspending and transporting solids is calculated from the direct numerical simulation （DNS） of fluidization, and the stability criterion Nst/NT = rain proposed in EMMS/bubbling model is verified numerically. Further-more the numerical results show that the value of Nst/NT in particulate fiuidization is much higher than that in aggregative fluidization, but Nst/NT = rain is effective for both particulate and aggregative fluidization.展开更多
To celebrate the 90th birthday of Professor Mooson Kwauk, who supervised the multi-scale research at this Institute in the last three decades, we dedicate this paper outlining our thoughts on this subject accumulated ...To celebrate the 90th birthday of Professor Mooson Kwauk, who supervised the multi-scale research at this Institute in the last three decades, we dedicate this paper outlining our thoughts on this subject accumulated from our previous studies. In the process of developing, improving and extending the energy- minimization multi-scale （EMMS） method, we have gradually recognized that meso-scales are critical to the understanding of the different kinds of multi-scale structures and systems. It is a common challenge not only for chemical engineering but also for almost all disciplines of science and engineering, due to its importance in bridging micro- and macro-behaviors and in displaying complexity and diversity. It is believed that there may exist a common law behind meso-scales of different problems, possibly even in different fields. Therefore, a breakthrough in the understanding of meso-scales will help materialize a revolutionary progress, with respect to modeling, computation and application.展开更多
We simulated rapid flow in transient plane Couette flows of granular particles using the smoothed particle hydrodynamics （SPH） solutions of a set of continuum equations, This simulation was performed to test the via...We simulated rapid flow in transient plane Couette flows of granular particles using the smoothed particle hydrodynamics （SPH） solutions of a set of continuum equations, This simulation was performed to test the viability of SPH in solving the equations for the solid phase of the two-fluid model associated with fluidization. We found that SPH requires the handling of fewer particles in simulating the collective behavior of rapid granular flow, thereby bolstering expectations of solving the equations for the solid phase in the two-fluid modeling of fluidization. Further work is needed to investigate the effect of terms describing pressure and viscous stress of solids on stability in simulations.展开更多
Diffusion is seldom considered by chemists and materialists in the preparation of materials while it plays an important role in the field of chemical engineering. If we look at crystallization at the atomic level, cry...Diffusion is seldom considered by chemists and materialists in the preparation of materials while it plays an important role in the field of chemical engineering. If we look at crystallization at the atomic level, crystal growth in a solution starts from the diffusion of ions to the growing surface followed by the incorporation of ions into its lattice. Diffusion can be a rate determining step for the growth of crystals. In this paper, we take the crystallization of calcium carbonate as an example to illustrate the microscopic processes of diffusion and reaction and their compromising influence on the morphology of the crystals produced. The diffusion effect is studied in a specially designed three-cell reactor. Experiments show that a decrease of diffusion leads to retardation of supersaturation and the formation of a continuous concen- tration gradient in the reaction cell, thus promoting the formation of cubic calcite particles. The reaction rate is regulated by temperature. Increase of reaction rate favors the formation of needle-like aragonite particles. When diffusion and reaction play joint roles in the reaction system, their compromise dominates the formation of products, leading to a mixture of cubic and needle-like particles with a controllable ratio. Since diffusion and reaction are universal factors in the preparation of materials, the finding of this paper could be helpful in the controlled synthesis of other materials.展开更多
基金supported by the National Natural Science Foundation of China (Nos. 51701160, 51801186, and U1862117)Fundamental Research Funds for the Central Universities (No. 3102018zy046, and No. 2242019k1G003)the State Key Laboratory of Advanced Special Steel, Shanghai University, China (SKLASS2019-16)。
文摘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.
基金Project supported by the National Key Research and Development Program of China(Grant No.2018YFB2001800)the National Natural Science Foundation of China(Grant No.21978298)+2 种基金the Natural Science Foundation of Shaanxi Province in China(Grant No.2020JM-111)Applied Basic Research Key Project of Yunnan,China(Grant No.202002AB080001-1)Henan Youth Talent Promotion Project.China(Grant No.2020HYTP019)。
文摘A regularization of the surface tension anisotropic function used in vapor-liquid-solid nanowire growth was introduced into the quantitative phase-field model to simulate the faceted growth in solidification of alloys.Predicted results show that the value of δ can only affect the region near the tip,and the convergence with respect to δ can be achieved with the decrease of δ near the tip.It can be found that the steady growth velocity is not a mo no tonic function of the cusp amplitude,and the maximum value is approximately at ε=0.8 when the supersaturation is fixed.Moreover,the growth velocity is an increasing function of supersaturation with the morphological transition from facet to dendrite.
基金supported by the National Natural Science Foundation of China(No.21106155)Science Foundation of the Chinese Academy of Sciences(No.XDA07080303)China Postdoctoral Science Foundation(No.2012M520385)
文摘The closure problem of turbulence is still a challenging issue in turbulence modeling. In this work, a stability condition is used to close turbulence. Specifically, we regard single-phase flow as a mixture of turbulent and non-turbulent fluids, separating the structure of turbulence. Subsequently, according to the picture of the turbulent eddy cascade, the energy contained in turbulent flow is decomposed into different parts and then quantified. A turbulence stability condition, similar to the principle of the energy-minimization multi-scale （EMMS） model for gas-solid systems, is formulated to close the dynamic constraint equa- tions of turbulence, allowing the inhomogeneous structural parameters of turbulence to be optimized. We name this model as the ＂EMMS-based turbulence model＂, and use it to construct the corresponding turbulent viscosity coefficient. To validate the EMMS-based turbulence model, it is used to simulate two classical benchmark problems, lid-driven cavity flow and turbulent flow with forced convection in an empty room, The numerical results show that the EMMS-hased turbulence model improves the accuracy of turbulence modeling due to it considers the principle of compromise in competition between viscosity and inertia.
基金supported by the National Natural Science Foundation of China under Grant No.21106155the Chinese Academy of Sciences under Grant No.XDA07080303
文摘Fully resolved simulations of particulate and aggregative fluidization systems are performed suc-cessfully with the so-called combined lattice Boltzmann method and time-driven hard-sphere model （LBM-TDHS）. In this method, the discrete particle phase is described by time-driven hard-sphere model, and the governing equations of the continuous fluid phase are solved with lattice Boltz-mann method. Particle-fluid coupling is implemented by immersed moving boundary method. Time averaged flow structure of the simulated results show the formation of core-annulus structure and sigmoid distribution of voidage in the axial direction, which are typical phenomena in fluidization systems. Combining the results of the simulation, the energy consumption Nst for suspending and transporting solids is calculated from the direct numerical simulation （DNS） of fluidization, and the stability criterion Nst/NT = rain proposed in EMMS/bubbling model is verified numerically. Further-more the numerical results show that the value of Nst/NT in particulate fiuidization is much higher than that in aggregative fluidization, but Nst/NT = rain is effective for both particulate and aggregative fluidization.
文摘To celebrate the 90th birthday of Professor Mooson Kwauk, who supervised the multi-scale research at this Institute in the last three decades, we dedicate this paper outlining our thoughts on this subject accumulated from our previous studies. In the process of developing, improving and extending the energy- minimization multi-scale （EMMS） method, we have gradually recognized that meso-scales are critical to the understanding of the different kinds of multi-scale structures and systems. It is a common challenge not only for chemical engineering but also for almost all disciplines of science and engineering, due to its importance in bridging micro- and macro-behaviors and in displaying complexity and diversity. It is believed that there may exist a common law behind meso-scales of different problems, possibly even in different fields. Therefore, a breakthrough in the understanding of meso-scales will help materialize a revolutionary progress, with respect to modeling, computation and application.
基金financially supported by the Ministry of Science and Technology of the People's Republic of China under Grant No.2012CB215003the National Natural Science Foundation of China under Grant Nos.21176240 and 21406081the Strategic Priority Research Program of the Chinese Academy of Sciences under Grant No.XDA07080100
文摘We simulated rapid flow in transient plane Couette flows of granular particles using the smoothed particle hydrodynamics （SPH） solutions of a set of continuum equations, This simulation was performed to test the viability of SPH in solving the equations for the solid phase of the two-fluid model associated with fluidization. We found that SPH requires the handling of fewer particles in simulating the collective behavior of rapid granular flow, thereby bolstering expectations of solving the equations for the solid phase in the two-fluid modeling of fluidization. Further work is needed to investigate the effect of terms describing pressure and viscous stress of solids on stability in simulations.
基金supported by Hundreds Talent Program of the Chinese Academy of Sciencesthe Foundation from State Key Laboratory of Multiphase Complex Systems(MPCS-2011-C-01)
文摘Diffusion is seldom considered by chemists and materialists in the preparation of materials while it plays an important role in the field of chemical engineering. If we look at crystallization at the atomic level, crystal growth in a solution starts from the diffusion of ions to the growing surface followed by the incorporation of ions into its lattice. Diffusion can be a rate determining step for the growth of crystals. In this paper, we take the crystallization of calcium carbonate as an example to illustrate the microscopic processes of diffusion and reaction and their compromising influence on the morphology of the crystals produced. The diffusion effect is studied in a specially designed three-cell reactor. Experiments show that a decrease of diffusion leads to retardation of supersaturation and the formation of a continuous concen- tration gradient in the reaction cell, thus promoting the formation of cubic calcite particles. The reaction rate is regulated by temperature. Increase of reaction rate favors the formation of needle-like aragonite particles. When diffusion and reaction play joint roles in the reaction system, their compromise dominates the formation of products, leading to a mixture of cubic and needle-like particles with a controllable ratio. Since diffusion and reaction are universal factors in the preparation of materials, the finding of this paper could be helpful in the controlled synthesis of other materials.
