Despite the enormous interest in inorganic/polymer composite solid-state electrolytes(CSEs)for solid-state batteries(SSBs),the underlying ion transport phenomena in CSEs have not yet been elucidated.Here,we address th...Despite the enormous interest in inorganic/polymer composite solid-state electrolytes(CSEs)for solid-state batteries(SSBs),the underlying ion transport phenomena in CSEs have not yet been elucidated.Here,we address this issue by formulating a mechanistic understanding of bi-percolating ion channels formation and ion conduction across inorganic-polymer electrolyte interfaces in CSEs.A model CSE is composed of argyrodite-type Li_6PS_5Cl(LPSCl)and gel polymer electrolyte(GPE,including Li~+-glyme complex as an ion-conducting medium).The percolation threshold of the LPSCl phase in the CSE strongly depends on the elasticity of the GPE phase.Additionally,manipulating the solvation/desolvation behavior of the Li~+-glyme complex in the GPE facilitates ion conduction across the LPSCl-GPE interface.The resulting scalable CSE(area=8×6(cm×cm),thickness~40μm)can be assembled with a high-mass-loading LiNi_(0.7)Co_(0.15)Mn_(0.15)O_(2)cathode(areal-mass-loading=39 mg cm~(-2))and a graphite anode(negative(N)/positive(P)capacity ratio=1.1)in order to fabricate an SSB full cell with bi-cell configuration.Under this constrained cell condition,the SSB full cell exhibits high volumetric energy density(480 Wh L_(cell)~(-1))and stable cyclability at 25℃,far exceeding the values reported by previous CSE-based SSBs.展开更多
Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electro...Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.展开更多
Recent reports on the selective laser melting(SLM)process under a vacuum or low ambient pressure have shown fewer defects and better surface quality of the as-printed products.Although the physical process of SLM in a...Recent reports on the selective laser melting(SLM)process under a vacuum or low ambient pressure have shown fewer defects and better surface quality of the as-printed products.Although the physical process of SLM in a vacuum has been investigated by high-speed imaging,the underlying mechanisms governing the heat transfer and molten flow are still not well understood.Herein,we first developed a mesoscopic model of SLM under variable ambient pressure based on our recent laser-welding studies.We simulated the transport phenomena of SLM 316L stainless steel powders under atmospheric and 100 Pa ambient pressure.For typical process parameters(laser power:200W;scanning speed:2m∙s^(-1);powder diameter:27 lm),the average surface temperature of the cavity approached 2800 K under atmospheric pressure,while it came close to 2300 K under 100 Pa pressure.More vigorous fluid flow(average speed:4m∙s^(-1))was observed under 100 Pa ambient pressure,because the pressure difference between the evaporation-induced surface pressure and the ambient pressure was relatively larger and drives the flow under lower pressure.It was also shown that there are periodical ripple flows(period:14ls)affecting the surface roughness of the as-printed track.Moreover,the molten flow was shown to be laminar because the Reynolds number is less than 400 and is far below the critical value of turbulence;thus,the viscous dissipation is significant.It was demonstrated that under a vacuum or lower ambient pressure,the ripple flow can be dissipated more easily by the viscous effect because the trajectory length of the ripple is longer;thus,the surface quality of the tracks is improved.To summarize,our model elucidates the physical mechanisms of the interesting transport phenomena that have been observed in independent experimental studies of the SLM process under variable ambient pressure,which could be a powerful tool for optimizing the SLM process in the future.展开更多
A continuum model proposed for dendrite solidification of multicomponent alloys, with any partial solid back diffusion, was used to numerically simulate the macroscopic solidification transport phenomena and macrosegr...A continuum model proposed for dendrite solidification of multicomponent alloys, with any partial solid back diffusion, was used to numerically simulate the macroscopic solidification transport phenomena and macrosegregations in an upwards directionally solidified plain carbon steel ingot. The computational results of each macroscopic field of the physical variables involved in the solidification process at a middle solidification stage were presented.展开更多
Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex i...Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex intercellular interactions of deformable Pickering emulsions,has been surprisingly sparse.This gap in knowledge holds significant potential for enhancing vaccine efficacy.This study aims to address this by summarizing the process of lymph-node-targeting transport and introducing a dissipative particle dynamics simulation method to evaluate the dynamic processes within cell tissue.The transport of Pickering emulsions in skeletal muscle tissue is specifically investigated as a case study.Various factors impacting the transport process are explored,including local cellular tissue environmental factors and the properties of the Pickering emulsion itself.The simulation results primarily demonstrate that an increase in radial repulsive interaction between emulsion particles can decrease the transport efficiency.Additionally,larger intercellular gaps also diminish the transport efficiency of emulsion droplet particles due to the increased motion complexity within the intricate transport space compared to a single channel.This study sheds light on the nuanced interplay between engineered and biological systems influencing the transport dynamics of Pickering emulsions.Such insights hold valuable potential for optimizing transport processes in practical biomedical applications such as drug delivery.Importantly,the desired transport efficiency varies depending on the specific application.For instance,while a more rapid transport might be crucial for lymph-node-targeted drug delivery,certain applications requiring a slower release of active components could benefit from the reduced transport efficiency observed with increased particle repulsion or larger intercellular gaps.展开更多
In this paper, the turbulence characteristics were numerically investigatedin an asymmetric turbulent channel flow and the computational results were compared with therelevant experimental data. It shows that the resu...In this paper, the turbulence characteristics were numerically investigatedin an asymmetric turbulent channel flow and the computational results were compared with therelevant experimental data. It shows that the results are consistent with the experiments and thereexist Counter-Gradient Momentum Transport (CGMT) phenomena in the central region near the smoothwall, and this region is as large as 6 percent of the channel width. In addition, a region, in whichCounter-Gradient-Transport (CGT) phenomena occur more evidently, is found close to the rough wall.These results can help to gain a deeper insight into the mechanism of CGT phenomena.展开更多
In this paper,we present local discontinuous Galerkin methods(LDG)to simulate an important application of the 2D stationary Schrödinger equation called quantum transport phenomena on a typical quantum directional...In this paper,we present local discontinuous Galerkin methods(LDG)to simulate an important application of the 2D stationary Schrödinger equation called quantum transport phenomena on a typical quantum directional coupler,which frequency change mainly reflects in y-direction.We present the minimal dissipation LDG(MD-LDG)method with polynomial basis functions for the 2D stationary Schrödinger equation which can describe quantum transport phenomena.We also give the MDLDG method with polynomial basis functions in x-direction and exponential basis functions in y-direction for the 2D stationary Schrödinger equation to reduce the computational cost.The numerical results are shown to demonstrate the accuracy and capability of these methods.展开更多
The spin-polarized linear conductance spectrum and current–voltage characteristics in a four-quantum-dot ring embodied into Aharonov–Bohm （AB） interferometer are investigated theoretically by considering a local R...The spin-polarized linear conductance spectrum and current–voltage characteristics in a four-quantum-dot ring embodied into Aharonov–Bohm （AB） interferometer are investigated theoretically by considering a local Rashba spin–orbit interaction. It shows that the spin-polarized linear conductance and the corresponding spin polarization are each a function of magnetic flux phase at zero bias voltage with a period of 2π, and that Hubbard U cannot influence the electron transport properties in this case. When adjusting appropriately the structural parameter of inter-dot coupling and dot-lead coupling strength, the electronic spin polarization can reach a maximum value. Furthermore, by adjusting the bias voltages applied to the leads, the spin-up and spin-down currents move in opposite directions and pure spin current exists in the configuration space in appropriate situations. Based on the numerical results, such a model can be applied to the design of a spin filter device.展开更多
This study focuses on experiments of Au and Cu dissolved in vapor phase in hydrothermal fluids. Experiments prove that Au and Cu can re-distribute in vapor phase and liquid phase during separation of Au- and Cu-bearin...This study focuses on experiments of Au and Cu dissolved in vapor phase in hydrothermal fluids. Experiments prove that Au and Cu can re-distribute in vapor phase and liquid phase during separation of Au- and Cu-bearing supercritical fluids to vapor and liquid phases. These experimental results can illustrate some ore geneses, where boiling phenomena of ore fluids were found. Au- and Cubearing NaHCO3-HCl solutions were heated up to more than 350℃ in the main vessel, and then passed through a phase separator in a temperature range from 250℃ to 300℃, separated into vapor and liquid phases. We collected and analyzed the liquid and vapor samples separately, and found that Au and Cu dissolved and distributed in vapor phase. In some cases, the concentrations of Au and Cu in vapor are higher than those in liquid phase. Those experiments are used to interpret field observations of fluid inclusion data of some Au and Cu deposits, and demonstrate that some Au and Cu ore deposits are derived from metals transportation in vapor phase.展开更多
基金the Basic Science Research Program(2018M3D1A1058744,2021R1A5A6002853,2021R1A2B5B03001615,and 2022M3J1A1085397)through the National Research Foundation of Korea(NRF)grant by the Korean Government(MSIT)provided by KISTI(KSC-2020-CRE-0301)supported by the Hyundai NGV program。
文摘Despite the enormous interest in inorganic/polymer composite solid-state electrolytes(CSEs)for solid-state batteries(SSBs),the underlying ion transport phenomena in CSEs have not yet been elucidated.Here,we address this issue by formulating a mechanistic understanding of bi-percolating ion channels formation and ion conduction across inorganic-polymer electrolyte interfaces in CSEs.A model CSE is composed of argyrodite-type Li_6PS_5Cl(LPSCl)and gel polymer electrolyte(GPE,including Li~+-glyme complex as an ion-conducting medium).The percolation threshold of the LPSCl phase in the CSE strongly depends on the elasticity of the GPE phase.Additionally,manipulating the solvation/desolvation behavior of the Li~+-glyme complex in the GPE facilitates ion conduction across the LPSCl-GPE interface.The resulting scalable CSE(area=8×6(cm×cm),thickness~40μm)can be assembled with a high-mass-loading LiNi_(0.7)Co_(0.15)Mn_(0.15)O_(2)cathode(areal-mass-loading=39 mg cm~(-2))and a graphite anode(negative(N)/positive(P)capacity ratio=1.1)in order to fabricate an SSB full cell with bi-cell configuration.Under this constrained cell condition,the SSB full cell exhibits high volumetric energy density(480 Wh L_(cell)~(-1))and stable cyclability at 25℃,far exceeding the values reported by previous CSE-based SSBs.
基金supported by the Research Grants Council of the Hong Kong Special Administrative Region, China (Grant 623313)
文摘Fuel cells and flow batteries are promising technologies to address climate change and air pollution problems. An understanding of the complex multiscale and multiphysics transport phenomena occurring in these electrochemical systems requires powerful numerical tools. Over the past decades, the lattice Boltzmann (LB) method has attracted broad interest in the computational fluid dynamics and the numerical heat transfer communities, primarily due to its kinetic nature making it appropriate for modeling complex multiphase transport phenomena. More importantly, the LB method fits well with parallel computing due to its locality feature, which is required for large-scale engineering applications. In this article, we review the LB method for gas-liquid two-phase flows, coupled fluid flow and mass transport in porous media, and particulate flows. Examples of applications are provided in fuel cells and flow batteries. Further developments of the LB method are also outlined.
基金This research was supported by the National Science Fund for Excellent Young Scholars(52022033)the National Key Research and Development Program of China(2017YFE0100100 and 2018YFB1105300)+1 种基金was partially supported by the Government of Perm Krai(S-26/794)the Russian Foundation for Basic Research(16-48-590208).
文摘Recent reports on the selective laser melting(SLM)process under a vacuum or low ambient pressure have shown fewer defects and better surface quality of the as-printed products.Although the physical process of SLM in a vacuum has been investigated by high-speed imaging,the underlying mechanisms governing the heat transfer and molten flow are still not well understood.Herein,we first developed a mesoscopic model of SLM under variable ambient pressure based on our recent laser-welding studies.We simulated the transport phenomena of SLM 316L stainless steel powders under atmospheric and 100 Pa ambient pressure.For typical process parameters(laser power:200W;scanning speed:2m∙s^(-1);powder diameter:27 lm),the average surface temperature of the cavity approached 2800 K under atmospheric pressure,while it came close to 2300 K under 100 Pa pressure.More vigorous fluid flow(average speed:4m∙s^(-1))was observed under 100 Pa ambient pressure,because the pressure difference between the evaporation-induced surface pressure and the ambient pressure was relatively larger and drives the flow under lower pressure.It was also shown that there are periodical ripple flows(period:14ls)affecting the surface roughness of the as-printed track.Moreover,the molten flow was shown to be laminar because the Reynolds number is less than 400 and is far below the critical value of turbulence;thus,the viscous dissipation is significant.It was demonstrated that under a vacuum or lower ambient pressure,the ripple flow can be dissipated more easily by the viscous effect because the trajectory length of the ripple is longer;thus,the surface quality of the tracks is improved.To summarize,our model elucidates the physical mechanisms of the interesting transport phenomena that have been observed in independent experimental studies of the SLM process under variable ambient pressure,which could be a powerful tool for optimizing the SLM process in the future.
文摘A continuum model proposed for dendrite solidification of multicomponent alloys, with any partial solid back diffusion, was used to numerically simulate the macroscopic solidification transport phenomena and macrosegregations in an upwards directionally solidified plain carbon steel ingot. The computational results of each macroscopic field of the physical variables involved in the solidification process at a middle solidification stage were presented.
基金supported by the National Natural Science Foundation of China(22373104 and 22293024)the Science Fund for Creative Research Groups of the National Natural Science Foundation of China(21821005)+1 种基金supported by the National Key Research and Development Program of China(2021YFE020527)support by the Distinguished Young Scholars of the National Natural Science Foundation of China(T2222022).
文摘Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering emulsions.However,extensive research on the internal delivery mechanisms of these emulsions,especially the complex intercellular interactions of deformable Pickering emulsions,has been surprisingly sparse.This gap in knowledge holds significant potential for enhancing vaccine efficacy.This study aims to address this by summarizing the process of lymph-node-targeting transport and introducing a dissipative particle dynamics simulation method to evaluate the dynamic processes within cell tissue.The transport of Pickering emulsions in skeletal muscle tissue is specifically investigated as a case study.Various factors impacting the transport process are explored,including local cellular tissue environmental factors and the properties of the Pickering emulsion itself.The simulation results primarily demonstrate that an increase in radial repulsive interaction between emulsion particles can decrease the transport efficiency.Additionally,larger intercellular gaps also diminish the transport efficiency of emulsion droplet particles due to the increased motion complexity within the intricate transport space compared to a single channel.This study sheds light on the nuanced interplay between engineered and biological systems influencing the transport dynamics of Pickering emulsions.Such insights hold valuable potential for optimizing transport processes in practical biomedical applications such as drug delivery.Importantly,the desired transport efficiency varies depending on the specific application.For instance,while a more rapid transport might be crucial for lymph-node-targeted drug delivery,certain applications requiring a slower release of active components could benefit from the reduced transport efficiency observed with increased particle repulsion or larger intercellular gaps.
文摘In this paper, the turbulence characteristics were numerically investigatedin an asymmetric turbulent channel flow and the computational results were compared with therelevant experimental data. It shows that the results are consistent with the experiments and thereexist Counter-Gradient Momentum Transport (CGMT) phenomena in the central region near the smoothwall, and this region is as large as 6 percent of the channel width. In addition, a region, in whichCounter-Gradient-Transport (CGT) phenomena occur more evidently, is found close to the rough wall.These results can help to gain a deeper insight into the mechanism of CGT phenomena.
基金supported by NSFC grant No.11031007,FANEDD No.200916,NCET No.09-0922Fok Ying Tung Education Foundation No.131003.
文摘In this paper,we present local discontinuous Galerkin methods(LDG)to simulate an important application of the 2D stationary Schrödinger equation called quantum transport phenomena on a typical quantum directional coupler,which frequency change mainly reflects in y-direction.We present the minimal dissipation LDG(MD-LDG)method with polynomial basis functions for the 2D stationary Schrödinger equation which can describe quantum transport phenomena.We also give the MDLDG method with polynomial basis functions in x-direction and exponential basis functions in y-direction for the 2D stationary Schrödinger equation to reduce the computational cost.The numerical results are shown to demonstrate the accuracy and capability of these methods.
基金Project supported by the Natural Science Foundation of Liaoning Province, China (Grant No. 201202085)the National Natural Science Foundation of China(Grant No. 11004138)+1 种基金the Excellent Young Scientists Fund of Liaoning Provence, China (Grant No. LJQ2011020)the Young Scientists Fund of Shenyang Ligong University (Grant No. 2011QN-04-11)
文摘The spin-polarized linear conductance spectrum and current–voltage characteristics in a four-quantum-dot ring embodied into Aharonov–Bohm （AB） interferometer are investigated theoretically by considering a local Rashba spin–orbit interaction. It shows that the spin-polarized linear conductance and the corresponding spin polarization are each a function of magnetic flux phase at zero bias voltage with a period of 2π, and that Hubbard U cannot influence the electron transport properties in this case. When adjusting appropriately the structural parameter of inter-dot coupling and dot-lead coupling strength, the electronic spin polarization can reach a maximum value. Furthermore, by adjusting the bias voltages applied to the leads, the spin-up and spin-down currents move in opposite directions and pure spin current exists in the configuration space in appropriate situations. Based on the numerical results, such a model can be applied to the design of a spin filter device.
文摘This study focuses on experiments of Au and Cu dissolved in vapor phase in hydrothermal fluids. Experiments prove that Au and Cu can re-distribute in vapor phase and liquid phase during separation of Au- and Cu-bearing supercritical fluids to vapor and liquid phases. These experimental results can illustrate some ore geneses, where boiling phenomena of ore fluids were found. Au- and Cubearing NaHCO3-HCl solutions were heated up to more than 350℃ in the main vessel, and then passed through a phase separator in a temperature range from 250℃ to 300℃, separated into vapor and liquid phases. We collected and analyzed the liquid and vapor samples separately, and found that Au and Cu dissolved and distributed in vapor phase. In some cases, the concentrations of Au and Cu in vapor are higher than those in liquid phase. Those experiments are used to interpret field observations of fluid inclusion data of some Au and Cu deposits, and demonstrate that some Au and Cu ore deposits are derived from metals transportation in vapor phase.
