Hydrogen is widely regarded as a crucial energy carrier for achieving carbon neutrality and a sustainable future.Direct seawater electrolysis using renewable energy presents a promising approach for large-scale hydrog...Hydrogen is widely regarded as a crucial energy carrier for achieving carbon neutrality and a sustainable future.Direct seawater electrolysis using renewable energy presents a promising approach for large-scale hydrogen production.Reactions of this nature at high current density and Faradaic efficiency are hampered by two challenges.展开更多
In the present research,two numerical schemes for improving the accuracy of the solution in the flow simulation of molten metal were applied.One method is the Piecewise Linear Interface Calculation(PLIC) method and th...In the present research,two numerical schemes for improving the accuracy of the solution in the flow simulation of molten metal were applied.One method is the Piecewise Linear Interface Calculation(PLIC) method and the other is the Donor-Acceptor(D-A) method.To verify the module of the interface reconstruction algorithms,simple problems were tested.After these validations,the accuracy and efficiency of these two methods were compared by simulating various real products.On the numerical simulation of free surface flow,it is possible for the PLIC method to track very accurately the interface between phases.The PLIC method,however,has the weak point in that a lot of computational time is required,though it shows the more accurate interface reconstruction.The Donor-Acceptor method has enough effectiveness in the macro-observation of a mold filling sequence though it shows inferior accuracy.Therefore,for the problems that need the accurate solution,PLIC is more appropriate than D-A.More accuracy may cause less efficiency in numerical analysis.Which method between D-A method and PLIC method should be chosen depends on the product.展开更多
Layered lithium-rich manganese-based oxide(LRMO)has the limitation of inevitable evolution of lattice oxygen release and layered structure transformation.Herein,a multilayer reconstruction strategy is applied to LRMO ...Layered lithium-rich manganese-based oxide(LRMO)has the limitation of inevitable evolution of lattice oxygen release and layered structure transformation.Herein,a multilayer reconstruction strategy is applied to LRMO via facile pyrolysis of potassium Prussian blue.The multilayer interface is visually observed using an atomic-resolution scanning transmission electron microscope and a high-resolution transmission electron microscope.Combined with the electrochemical characterization,the redox of lattice oxygen is suppressed during the initial charging.In situ X-ray diffraction and the high-resolution transmission electron microscope demonstrate that the suppressed evolution of lattice oxygen eliminates the variation in the unit cell parameters during initial(de)lithiation,which further prevents lattice distortion during long cycling.As a result,the initial Coulombic efficiency of the modified LRMO is up to 87.31%,and the rate capacity and long-term cycle stability also improved considerably.In this work,a facile surface reconstruction strategy is used to suppress vigorous anionic redox,which is expected to stimulate material design in high-performance lithium ion batteries.展开更多
The dynamic processes and characteristics of solid phase diffusion-bonding of interfacial atoms at high tempera-tures and the effect of that on bonding strength of Ni(111)/)/-Al_(2)O_(3)(0001)interface were investigat...The dynamic processes and characteristics of solid phase diffusion-bonding of interfacial atoms at high tempera-tures and the effect of that on bonding strength of Ni(111)/)/-Al_(2)O_(3)(0001)interface were investigated through molecular dynamics.It is shown that atomic diffusion occurs at the Ni/Al_(2)O_(3) interface in the temperature range from 698 K to 1,098 K,and proceeds mainly from the Ni side to the ) Al_(2)O_(3) side.The interface was previously reconstructed by solid bonding below the melting temperature,leading to the amorphization of the interface.Be-sides,the intermetallic complexes such as Al_(m)Ni_(n)(e.g.,AlNi_(3)),metal oxide NiO and Ni-Al-O bonds were formed gradually during the diffusion process of atoms.The formation mechanisms of the Ni-Al,Ni-O,and Ni-Al-O bonds are revealed.Based on the reconstructed structure,the adhesion effort at the interface is compared.The higher the temperature,the larger the bond number and the higher the interfacial bonding strength.展开更多
It is important to track and reconstruct the complex immersed boundaries for simulating fluid structure interaction problems in an immersed boundary method（IBM）. In this paper, a polynomial radial basis function（P...It is important to track and reconstruct the complex immersed boundaries for simulating fluid structure interaction problems in an immersed boundary method（IBM）. In this paper, a polynomial radial basis function（PRBF） method is introduced to the ghost cell immersed boundary method for tracking and reconstructing the complex moving boundaries. The body surfaces are fitted with a finite set of sampling points by the PRBF, which is flexible and accurate. The complex or multiple boundaries could be easily represented. A simple treatment is used for identifying the position information about the interfaces on the background grid. Our solver and interface reconstruction method are validated by the case of a cylinder oscillating in the fluid. The accuracy of the present PRBF method is comparable to the analytic function method. In ta flow around an airfoil, the capacity of the proposed method for complex geometries is well demonstrated.展开更多
Numerical study of multiphase fluid flows require mathematical methods for distinguishing interface between two fluids.The volume of fluid(VOF)method is one of such method which takes care of fluid shape in a local do...Numerical study of multiphase fluid flows require mathematical methods for distinguishing interface between two fluids.The volume of fluid(VOF)method is one of such method which takes care of fluid shape in a local domain and reconstructs the interface from volume fraction of one fluid.Maintaining sharp interface during reconstruction is a challenging task and geometrical approach of VOF method better suits for incompressible fluids.This paper provides a complete mathematical discussion of extended form of VOF method using a approach known as piecewise linear interface calculation(PLIC).An analytical relation between volume fraction and interface position has been explored with the help of primitive geometrical shapes.The method with this analytical relation has been applied to multiphase fluid flow benchmark problems and found to be in good agreement.展开更多
In this paper we present recent developments concerning a Cell-Centered Arbitrary Lagrangian Eulerian(CCALE)strategy using the Moment Of Fluid(MOF)interface reconstruction for the numerical simulation of multi-materia...In this paper we present recent developments concerning a Cell-Centered Arbitrary Lagrangian Eulerian(CCALE)strategy using the Moment Of Fluid(MOF)interface reconstruction for the numerical simulation of multi-material compressible fluid flows on unstructured grids in cylindrical geometries.Especially,our attention is focused here on the following points.First,we propose a new formulation of the scheme used during the Lagrangian phase in the particular case of axisymmetric geometries.Then,the MOF method is considered for multi-interface reconstruction in cylindrical geometry.Subsequently,a method devoted to the rezoning of polar meshes is detailed.Finally,a generalization of the hybrid remapping to cylindrical geometries is presented.These explorations are validated by mean of several test cases using unstructured grid that clearly illustrate the robustness and accuracy of the new method.展开更多
Due to tissue lineage variances and the anisotropic physiological character-istics,regenerating complex osteochondral tissues(cartilage and subchondral bone)remains a great challenge,which is primarily due to the dist...Due to tissue lineage variances and the anisotropic physiological character-istics,regenerating complex osteochondral tissues(cartilage and subchondral bone)remains a great challenge,which is primarily due to the distinct requirements for cartilage and subchondral bone regeneration.For cartilage regeneration,a significant amount of newly generated chondrocytes is required while maintaining their phenotype.Conversely,bone regeneration necessitates inducing stem cells to differentiate into osteoblasts.Additionally,the construction of the osteochondral interface is crucial.In this study,we fabricated a biphasic multicellular bioprinted scaffold mimicking natural osteochondral tissue employing three-dimensional(3D)bioprinting technol-ogy.Briefly,gelatin-methacryloyl(GelMA)loaded with articular chondrocytes and bone marrow mesenchymal stem cells(ACs/BMSCs),serving as the cartilage layer,preserved the phenotype of ACs and promoted the differentia-tion of BMSCs into chondrocytes through the interaction between ACs and BMSCs,thereby facilitating cartilage regeneration.GelMA/strontium-substituted xonotlite(Sr-CSH)loaded with BMSCs,serving as the subchondral bone layer,regulated the differentiation of BMSCs into osteoblasts and enhanced the secretion of cartilage matrix by ACs in the cartilage layer through the slow release of bioactive ions from Sr-CSH.Additionally,GelMA,serving as the matrix material,contributed to the reconstruction of the osteochondral interface.Ultimately,this biphasic multicellular bioprinted scaffold demonstrated satisfactory simultaneous regeneration of osteochondral defects.In this study,a promising strategy for the application of 3D bioprinting technology in complex tissue regeneration was proposed.展开更多
Sulfated zero-valent iron(SZVI)has shown promising applications in wastewater treatment.However,the rapid decline in the reactivity of SZVI with time limits its real practice.To mediate this problem,partial aging was ...Sulfated zero-valent iron(SZVI)has shown promising applications in wastewater treatment.However,the rapid decline in the reactivity of SZVI with time limits its real practice.To mediate this problem,partial aging was proposed to improve the reactive durability of SZVI.Taking Cr(VI)as the target contaminant,we found that the aged ZVI(AZVI)gradually lost reactivity as aging time increased from 0.5 to 2 d.Counter-intuitively,the partially aged SZVI(ASZVI)showed greater reactivity than SZVI when exposed to oxygenated water for a period ranging from 0.5 to 14 d.In addition,the ASZVI with 0.5 d of aging time(ASZVI-0.5)not only maintained reactivity in successive runs but also increased the Cr(VI)removal capacity from 9.1 mg/g by SZVI to 19.1 mg/g by ASZVI-0.5.Correlation analysis further revealed that the electron transfer from the Fe0 core to the shell was mediated by the conductive FeS and FeS2 in the subshell of ASZVI.Meanwhile,the lepidocrocite and magnetite on the surface of ASZVI facilitated Cr(VI)adsorption and subsequent electron transfer for Cr(VI)reduction.Moreover,the iron(hydr)oxide shell could retain the conductive FeS and FeS2 in the subshell,allowing ASZVI to reduce Cr(VI)efficiently and sustainably.In general,partial aging can enhance the reactive durability of ZVI when coupled with sulfidation and this synergistic effect will be beneficial to the application of SZVI-based technology for wastewater treatment.展开更多
文摘Hydrogen is widely regarded as a crucial energy carrier for achieving carbon neutrality and a sustainable future.Direct seawater electrolysis using renewable energy presents a promising approach for large-scale hydrogen production.Reactions of this nature at high current density and Faradaic efficiency are hampered by two challenges.
文摘In the present research,two numerical schemes for improving the accuracy of the solution in the flow simulation of molten metal were applied.One method is the Piecewise Linear Interface Calculation(PLIC) method and the other is the Donor-Acceptor(D-A) method.To verify the module of the interface reconstruction algorithms,simple problems were tested.After these validations,the accuracy and efficiency of these two methods were compared by simulating various real products.On the numerical simulation of free surface flow,it is possible for the PLIC method to track very accurately the interface between phases.The PLIC method,however,has the weak point in that a lot of computational time is required,though it shows the more accurate interface reconstruction.The Donor-Acceptor method has enough effectiveness in the macro-observation of a mold filling sequence though it shows inferior accuracy.Therefore,for the problems that need the accurate solution,PLIC is more appropriate than D-A.More accuracy may cause less efficiency in numerical analysis.Which method between D-A method and PLIC method should be chosen depends on the product.
基金This work was financially supported by the High‐level Talents'Discipline Construction Fund of Shandong University(31370089963078)the Shandong Provincial Science and Technology Major Project(2018JM RH0211 and 2017CXGC1010)+3 种基金the Research Funds of Shandong University(10000089395121)the Natural Science Foundation of Shandong Province(ZR2019MEM052 and ZR2017MEM002)The National Natural Science Foundation of China(grant no.52002287)the Start‐up Funding of Wenzhou University are acknowledged.
文摘Layered lithium-rich manganese-based oxide(LRMO)has the limitation of inevitable evolution of lattice oxygen release and layered structure transformation.Herein,a multilayer reconstruction strategy is applied to LRMO via facile pyrolysis of potassium Prussian blue.The multilayer interface is visually observed using an atomic-resolution scanning transmission electron microscope and a high-resolution transmission electron microscope.Combined with the electrochemical characterization,the redox of lattice oxygen is suppressed during the initial charging.In situ X-ray diffraction and the high-resolution transmission electron microscope demonstrate that the suppressed evolution of lattice oxygen eliminates the variation in the unit cell parameters during initial(de)lithiation,which further prevents lattice distortion during long cycling.As a result,the initial Coulombic efficiency of the modified LRMO is up to 87.31%,and the rate capacity and long-term cycle stability also improved considerably.In this work,a facile surface reconstruction strategy is used to suppress vigorous anionic redox,which is expected to stimulate material design in high-performance lithium ion batteries.
基金supported by the National Natural Science Founda-tion of China(Grant Nos.:52076033 and 51836001).
文摘The dynamic processes and characteristics of solid phase diffusion-bonding of interfacial atoms at high tempera-tures and the effect of that on bonding strength of Ni(111)/)/-Al_(2)O_(3)(0001)interface were investigated through molecular dynamics.It is shown that atomic diffusion occurs at the Ni/Al_(2)O_(3) interface in the temperature range from 698 K to 1,098 K,and proceeds mainly from the Ni side to the ) Al_(2)O_(3) side.The interface was previously reconstructed by solid bonding below the melting temperature,leading to the amorphization of the interface.Be-sides,the intermetallic complexes such as Al_(m)Ni_(n)(e.g.,AlNi_(3)),metal oxide NiO and Ni-Al-O bonds were formed gradually during the diffusion process of atoms.The formation mechanisms of the Ni-Al,Ni-O,and Ni-Al-O bonds are revealed.Based on the reconstructed structure,the adhesion effort at the interface is compared.The higher the temperature,the larger the bond number and the higher the interfacial bonding strength.
基金Project supported by the National Science Foundation of China under(Grant Nos.51579196,51139005 and 51490670)the 111 Project(Grant No.B08031)
文摘It is important to track and reconstruct the complex immersed boundaries for simulating fluid structure interaction problems in an immersed boundary method（IBM）. In this paper, a polynomial radial basis function（PRBF） method is introduced to the ghost cell immersed boundary method for tracking and reconstructing the complex moving boundaries. The body surfaces are fitted with a finite set of sampling points by the PRBF, which is flexible and accurate. The complex or multiple boundaries could be easily represented. A simple treatment is used for identifying the position information about the interfaces on the background grid. Our solver and interface reconstruction method are validated by the case of a cylinder oscillating in the fluid. The accuracy of the present PRBF method is comparable to the analytic function method. In ta flow around an airfoil, the capacity of the proposed method for complex geometries is well demonstrated.
基金supported by Faculty of Engineering and Computing,Dublin City University,Ireland through its CONNECT grant.
文摘Numerical study of multiphase fluid flows require mathematical methods for distinguishing interface between two fluids.The volume of fluid(VOF)method is one of such method which takes care of fluid shape in a local domain and reconstructs the interface from volume fraction of one fluid.Maintaining sharp interface during reconstruction is a challenging task and geometrical approach of VOF method better suits for incompressible fluids.This paper provides a complete mathematical discussion of extended form of VOF method using a approach known as piecewise linear interface calculation(PLIC).An analytical relation between volume fraction and interface position has been explored with the help of primitive geometrical shapes.The method with this analytical relation has been applied to multiphase fluid flow benchmark problems and found to be in good agreement.
文摘In this paper we present recent developments concerning a Cell-Centered Arbitrary Lagrangian Eulerian(CCALE)strategy using the Moment Of Fluid(MOF)interface reconstruction for the numerical simulation of multi-material compressible fluid flows on unstructured grids in cylindrical geometries.Especially,our attention is focused here on the following points.First,we propose a new formulation of the scheme used during the Lagrangian phase in the particular case of axisymmetric geometries.Then,the MOF method is considered for multi-interface reconstruction in cylindrical geometry.Subsequently,a method devoted to the rezoning of polar meshes is detailed.Finally,a generalization of the hybrid remapping to cylindrical geometries is presented.These explorations are validated by mean of several test cases using unstructured grid that clearly illustrate the robustness and accuracy of the new method.
基金National Natural Science Foundation of China,Grant/Award Numbers:82072396,32271379CAMS Innovation Fund for Medical Sciences,Grant/Award Numbers:CIFMS,2019-I2M-5-037+3 种基金Shanghai's Top Priority Research Center,Grant/Award Number:2022ZZ01017Interdisciplinary Program of Shanghai Jiao Tong University,Grant/Award Number:YG2021ZD12Science and Technology Commission of Shanghai Municipality,Grant/Award Number:21490711700Science and Technology Project of Xuzhou Health Commission,Grant/Award Number:XWKYHT20230077。
文摘Due to tissue lineage variances and the anisotropic physiological character-istics,regenerating complex osteochondral tissues(cartilage and subchondral bone)remains a great challenge,which is primarily due to the distinct requirements for cartilage and subchondral bone regeneration.For cartilage regeneration,a significant amount of newly generated chondrocytes is required while maintaining their phenotype.Conversely,bone regeneration necessitates inducing stem cells to differentiate into osteoblasts.Additionally,the construction of the osteochondral interface is crucial.In this study,we fabricated a biphasic multicellular bioprinted scaffold mimicking natural osteochondral tissue employing three-dimensional(3D)bioprinting technol-ogy.Briefly,gelatin-methacryloyl(GelMA)loaded with articular chondrocytes and bone marrow mesenchymal stem cells(ACs/BMSCs),serving as the cartilage layer,preserved the phenotype of ACs and promoted the differentia-tion of BMSCs into chondrocytes through the interaction between ACs and BMSCs,thereby facilitating cartilage regeneration.GelMA/strontium-substituted xonotlite(Sr-CSH)loaded with BMSCs,serving as the subchondral bone layer,regulated the differentiation of BMSCs into osteoblasts and enhanced the secretion of cartilage matrix by ACs in the cartilage layer through the slow release of bioactive ions from Sr-CSH.Additionally,GelMA,serving as the matrix material,contributed to the reconstruction of the osteochondral interface.Ultimately,this biphasic multicellular bioprinted scaffold demonstrated satisfactory simultaneous regeneration of osteochondral defects.In this study,a promising strategy for the application of 3D bioprinting technology in complex tissue regeneration was proposed.
基金supported by the National Key R&D Program of China(No.2021YFA1201701)the National Natural Science Foundation of China(No.22025601)the Postgraduate Research&Practice Innovation Program of Jiangsu Province(No.KYCX22_0495).
文摘Sulfated zero-valent iron(SZVI)has shown promising applications in wastewater treatment.However,the rapid decline in the reactivity of SZVI with time limits its real practice.To mediate this problem,partial aging was proposed to improve the reactive durability of SZVI.Taking Cr(VI)as the target contaminant,we found that the aged ZVI(AZVI)gradually lost reactivity as aging time increased from 0.5 to 2 d.Counter-intuitively,the partially aged SZVI(ASZVI)showed greater reactivity than SZVI when exposed to oxygenated water for a period ranging from 0.5 to 14 d.In addition,the ASZVI with 0.5 d of aging time(ASZVI-0.5)not only maintained reactivity in successive runs but also increased the Cr(VI)removal capacity from 9.1 mg/g by SZVI to 19.1 mg/g by ASZVI-0.5.Correlation analysis further revealed that the electron transfer from the Fe0 core to the shell was mediated by the conductive FeS and FeS2 in the subshell of ASZVI.Meanwhile,the lepidocrocite and magnetite on the surface of ASZVI facilitated Cr(VI)adsorption and subsequent electron transfer for Cr(VI)reduction.Moreover,the iron(hydr)oxide shell could retain the conductive FeS and FeS2 in the subshell,allowing ASZVI to reduce Cr(VI)efficiently and sustainably.In general,partial aging can enhance the reactive durability of ZVI when coupled with sulfidation and this synergistic effect will be beneficial to the application of SZVI-based technology for wastewater treatment.
