The interaction between pile and soft soil of the passive pile group subjected to soil movement was analyzed with three-dimensional finite element model by using ANSYS software. The soil was assumed to be elastic-plas...The interaction between pile and soft soil of the passive pile group subjected to soil movement was analyzed with three-dimensional finite element model by using ANSYS software. The soil was assumed to be elastic-plastic complying with the Drucker-Prager yield criterion in the analysis. The large displacement of soil was considered and contact elements were used to evaluate the interaction between pile and soil. The influences of soil depth of layer and number of piles on the lateral pressure of the pile were investigated, and the lateral pressure distributions on the (2×1) pile group and on the (2×2) pile group were compared. The results show that the adjacent surcharge may result in significant lateral movement of the soft soil and considerable pressure on the pile. The pressure acting on the row near the surcharge is higher than that on the other row, due to the "barrier" and arching effects in pile groups. The passive load and its distribution should be taken into account in the design of the passive piles.展开更多
The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly ...The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly unsteady, generating vortices and requiring detailed analysis of fluid-structure interactions.An understanding of the complexities of such flows is of interest to engineers developing vehicles capable of high dynamic performance in their propulsion and maneuvering.In the present study, a CFD based RANS simulation of a 3-D fin body moving in a viscous fluid was developed.It investigated hydrodynamic performance by evaluating the hydrodynamic coefficients (lift, drag and moment) at two different oscillating frequencies.A parametric analysis of the factors that affect the hydrodynamic performance of the fin body was done, along with a comparison of results from experiments.The results of the simulation were found in close agreement with experimental results and this validated the simulation as an effective tool for evaluation of the unsteady hydrodynamic coefficients of 3-D fins.This work can be further be used for analysis of the stability and maneuverability of fin actuated underwater vehicles.展开更多
The development of open-pit mines can adversely affect and even damage existing access tunnels. To ensure the safety and serviceability of them, it is essential to know potential adverse effects of the mining sequence...The development of open-pit mines can adversely affect and even damage existing access tunnels. To ensure the safety and serviceability of them, it is essential to know potential adverse effects of the mining sequence on existing tunnels such as displacements of the lining and additional loads on the lining. In this paper, three-dimensional numerical parametric study is performed to explore this complex interaction. This study investigates the effects of different parameters that may affect the tunnel response. These parameters are: excavation sequence method, horizontal/vertical stress ratio, slope angle, and tunnel diameter. This study shows that the mining sequence affects the stability of the tunnels. The open-pit mining activities lead to both higher axial forces in rock bolts and normal forces and bending moments in the lining. The results of the analysis also demonstrate that the mining sequence causes tunnel heave and significant tensile forces in the lining. Based on the study in this paper a better understanding of the interaction between oDen-oit minin~ seouence and tunnels will he ohtained展开更多
Recently, Zhou et al. [Phys. Rev. A 79 (2009) 044304] proposed a scheme for transferring three-dimensional quantum states between remote atomic qubits confined in cavities connected by fibers through adiabatic passa...Recently, Zhou et al. [Phys. Rev. A 79 (2009) 044304] proposed a scheme for transferring three-dimensional quantum states between remote atomic qubits confined in cavities connected by fibers through adiabatic passage. In order to avoid the decoherence due to spontaneous emission, Zhou et al. utilized the large detuning atom-field interaction. In the present paper, we discuss the influence of dissipation on the scheme in both the resonant atom-field interaction case and the large detuning case. We numerically analyze the success probability and the transferring fidelity. It is shown that the resonant case is a preferable choice for the technique of the stimulated Raman adiabatic passage (STIRAP) due to the shorter operation time and the smaller probability of dissipation.展开更多
The stability and collective excitation of Bose-Einstein condensates with both two- and three-body interactions in a two-dimensional anhaxmonic trap (i.e., harmonic plus quartic trap) are investigated. By using the ...The stability and collective excitation of Bose-Einstein condensates with both two- and three-body interactions in a two-dimensional anhaxmonic trap (i.e., harmonic plus quartic trap) are investigated. By using the variational method, the influence of the three-body interaction and the anharmonicity on the stability axe discussed in detail. It is found that the anhaxmonicity of the trap and the three-body interaction have significant effect on the stability and collective excitations of the system.展开更多
A very simpJe theoretical scheme is proposed to implement two-and three-qubit controlled-phase gates firstly only using a single resonant interaction between ladder-type three-level atoms and the single-mode cavity. I...A very simpJe theoretical scheme is proposed to implement two-and three-qubit controlled-phase gates firstly only using a single resonant interaction between ladder-type three-level atoms and the single-mode cavity. In the presented protocol, the quantum information is encoded on the stable ground states of the atoms (as the controlling qubits) and the zero- and one-photon Fock states of cavity-field (as the target qubit). Under the influence of the atomic spontaneous emission, the decay of the cavity-mode, and deviation of the coupling strength, the three-qubit controlled- phase gate may have a comparatively high fidelity. The experimental feasibility of controlled-phase gate and the ease that is extended to realize N-qubit controlled-phase gate are also discussed.展开更多
Starting from the known variable separation excitations of a(2 + 1)-dimensional generalized Ablowitz-Kaup-Newell-Segur system,rich coherent structures can be derived.The interactions among different types of solitary ...Starting from the known variable separation excitations of a(2 + 1)-dimensional generalized Ablowitz-Kaup-Newell-Segur system,rich coherent structures can be derived.The interactions among different types of solitary waves like peakons,dromions,and compactons are investigated and some novel features or interesting behaviors are revealed.The results show that the interactions for peakon-dromion,compacton-dromion,and peakon-compacton may be completely nonelastic or completely elastic.展开更多
Changes in the water cycle on the Tibetan Plateau(TP)have a significant impact on local agricultural production and livelihoods and its downstream regions.Against the background of widely reported warming and wetting,...Changes in the water cycle on the Tibetan Plateau(TP)have a significant impact on local agricultural production and livelihoods and its downstream regions.Against the background of widely reported warming and wetting,the hydrological cycle has accelerated and the likelihood of extreme weather events and natural disasters occurring(i.e.,snowstorms,floods,landslides,mudslides,and ice avalanches)has also intensified,especially in the highelevation mountainous regions.Thus,an accurate estimation of the intensity and variation of each component of the water cycle is an urgent scientific question for the assessment of plateau environmental changes.Following the transformation and movement of water between the atmosphere,biosphere and hydrosphere,the authors highlight the urgent need to strengthen the three-dimensional comprehensive observation system(including the eddy covariance system;planetary boundary layer tower;profile measurements of temperature,humidity,and wind by microwave radiometers,wind profiler,and radiosonde system;and cloud and precipitation radars)in the TP region and propose a practical implementation plan.The construction of such a three-dimensional observation system is expected to promote the study of environmental changes and natural hazards prevention.展开更多
The process described here is well at the heart of the appearance of pigmentary materials and their interactions with light. It is indeed based on the property of colored materials to reflect, in a selective way, the ...The process described here is well at the heart of the appearance of pigmentary materials and their interactions with light. It is indeed based on the property of colored materials to reflect, in a selective way, the colored radiations of light. The innovation is here based on a more subtle and more complete process, using the trichromy, i.e., all the possibilities of the white light, which is split in three primary radiations: red^een--blue. One can, indeed, animate a pigmentary surface by the alternate projection of these three colors, and thus reveal three different images on the same support, or create a motion effect. However, in this process, the weakness of bhie, compared to green and red, might constitute an obstacle. But that will be compensated by the use of fluorescent colors, instead of ordinary colors. This process may provide very spectacular applications in the fields of lighting, architecture, design, scenography, booths, display windows, etc.. We shall propose a step-to-step approach.展开更多
We investigate theoretically the single-photon scattering by a A-type three-level system interacting with a whispering-gallery-type resonator which is coupled to a one-dimensional waveguide by full quantum-mechanical ...We investigate theoretically the single-photon scattering by a A-type three-level system interacting with a whispering-gallery-type resonator which is coupled to a one-dimensional waveguide by full quantum-mechanical approach. The single-photon transmission amplitude and reflection amplitude are obtained exactly via real-space approach. The single-photon transport properties controlling by classic optical field are discussed. The critical coupling condition in the coupled waveguide-whispering-gallery resonator-atom with three-level system is also analyzed.展开更多
We study the energy spectra of a two-dimensional two-electron quantum dot (QD) with P6schl-Tefler confining potential under the influence of perpendicular homogeneous magnetic field. Calculations are made by using t...We study the energy spectra of a two-dimensional two-electron quantum dot (QD) with P6schl-Tefler confining potential under the influence of perpendicular homogeneous magnetic field. Calculations are made by using the method of numerical diagonalization of Hamiltonian matrix within the effectlve-mass approximation. A ground-state behavior (spin singlet-triplet transitions) as a function of the strength of a magnetic field is found. We find that the dot radius R of a Poeschl-Teller potential is important for the ground-state transition and the feature of ground-state for a Poeschl Teller QD and a parabolic QD is similar when R is larger. The larger the well depth, the higher the magnetic field for the singlet-triplet transition of the ground-state of two interacting electrons in a Poesehl-Teller QD.展开更多
To make sure the intermediate products of the carbothermic reduction of Al2O3 process, such as Al4CO4, Al2CO and Al4C3,and the interaction of AlCl, AlCl2, AlCl3 with Al4CO4, Al2CO and Al4C3, respectively, thermodynami...To make sure the intermediate products of the carbothermic reduction of Al2O3 process, such as Al4CO4, Al2CO and Al4C3,and the interaction of AlCl, AlCl2, AlCl3 with Al4CO4, Al2CO and Al4C3, respectively, thermodynamic analyses were used to study the chloride reaction production of them under the vacuum situation. The stable structures and electronic properties of AlCl, AlCl2 and AlCl3 adsorbed on Al4CO4, Al2CO and Al4C3 were calculated by first-principles calculations by the CASTEP module in the Materials Studio program. The results show that the AlCl3 and AlCl2 molecules have decomposed on the plane of Al4C3(001), while there are no obvious decomposition of AlCl3 and AlCl2 on Al4CO4(001) and Al2CO(001) planes. The adsorption of AlCl on the Al4CO4(001)and Al2CO(001) planes is stronger than that on the Al4C3(001) plane. The interaction strength of AlCl3, as well as AlCl2, with Al4CO4,Al2CO and Al4C3 is in the sequence of Al4CO4Al2CO〉Al4C3.展开更多
The objective of this study was to develop, as well as validate the strongly coupled method (two-way fluid structural interaction (FSI)) used to simulate the transient FSI response of the vertical axis tidal turbine (...The objective of this study was to develop, as well as validate the strongly coupled method (two-way fluid structural interaction (FSI)) used to simulate the transient FSI response of the vertical axis tidal turbine (VATT) rotor, subjected to spatially varying inflow. Moreover, this study examined strategies on improving techniques used for mesh deformation that account for large displacement or deformation calculations. The blade's deformation for each new time step is considered in transient two-way FSI analysis, to make the design more reliable. Usually this is not considered in routine one-way FSI simulations. A rotor with four blades and 4-m diameter was modeled and numerically analyzed. We observed that two-way FSI, utilizing the strongly coupled method, was impossible for a complex model; and thereby using ANSYS-CFX and ANSYS-MECHANICAL in work bench, as given in ANSYS-WORKBENCH, helped case examples 22 and 23, by giving an error when the solution was run. To make the method possible and reduce the computational power, a novel technique was used to transfer the file in ANSYS-APDL to obtain the solution and results. Consequently, the results indicating a two-way transient FSI analysis is a time- and resource-consuming job, but with our proposed technique we can reduce the computational time. The ANSYS STRUCTURAL results also uncover that stresses and deformations have higher values for two-way FSI as compared to one-way FSI. Similarly, fluid flow CFX results for two-way FSI are closer to experimental results as compared to one-way simulation results. Additionally, this study shows that, using the proposed method we can perform coupled simulation with simple multi-node PCs (core i5).展开更多
Using density functional theory (DFT) calculations, we rationally designed metallic nanocatalysts with ternary transition metals for oxygen reduction reactions (ORRs) in fuel cell applications. We surrounded binar...Using density functional theory (DFT) calculations, we rationally designed metallic nanocatalysts with ternary transition metals for oxygen reduction reactions (ORRs) in fuel cell applications. We surrounded binary core-shell nanoparticles with a Pt skin layer. To overcome surface segregation of the core 3-d transition metal, we identified the binary alloy Cu0.76Ni0.24 as having strongly attractive atomic interactions by computationally screening 158 different alloy configurations using energy convex hull theory. The PtskinCu0.76Ni0.24 nanoparticle showed better electrochemical stability than pure Pt nanoparticles -3 nm in size. We propose that the underlying mechanism originates from favorable compressive strain on Pt for ORR catalysis and atomic interactions among the nanoparticle shells for electrochemical stability. Our results will contribute to accurate identification and innovative design of promising nanomaterials for renewable energy systems.展开更多
The interactions between the new organometallic complexes, ferrocenesubstituted dithioocarborane conjugates (denoted as FcSB1, FcSB2 and FcSBCO) and hemoglobin (Hb) are investigated by electrochemistry, fluorescen...The interactions between the new organometallic complexes, ferrocenesubstituted dithioocarborane conjugates (denoted as FcSB1, FcSB2 and FcSBCO) and hemoglobin (Hb) are investigated by electrochemistry, fluorescence and UVvis absorption spectroscopy. The results demonstrate that FcSB1, FcSB2 and FcSBCO can bind to the heme iron center through the replacement of the weakly bound H20/02 in the distal heme pocket of Hb by their sulfur donor atoms, inducing the allosteric change from the R state (oxygenated conformation, relax) to T state (deoxygenated conformation, tense). The binding affinity is in the order of FcSBCO〉FeSB2〉FeSB1. Moreover, the fluorescence study illustrates that the three ferrocenecarborane conjugates differently affect the quarterly and tertiary structures as well as the polarity in the surrounding of the Trp and Tyr residues in Hb. Typically, FcSB2 mainly induces alterations of the microenvironment around the 1337Trp residue which is located on the cql32 interface of Hb. Such distinct influences are attributed to the structural features of FcSB1, FcSB2 and FcSBCO containing hydrophobic ferrocenyl and carboranyl units as well as C=O group. Screening the proteinbinding behavior can signify the potential bioactivity of such molecules and may be helpful in the future development of promising multifunctional metallodrugs.展开更多
基金Project(50378036) supported by the National Natural Science Foundation of China
文摘The interaction between pile and soft soil of the passive pile group subjected to soil movement was analyzed with three-dimensional finite element model by using ANSYS software. The soil was assumed to be elastic-plastic complying with the Drucker-Prager yield criterion in the analysis. The large displacement of soil was considered and contact elements were used to evaluate the interaction between pile and soil. The influences of soil depth of layer and number of piles on the lateral pressure of the pile were investigated, and the lateral pressure distributions on the (2×1) pile group and on the (2×2) pile group were compared. The results show that the adjacent surcharge may result in significant lateral movement of the soft soil and considerable pressure on the pile. The pressure acting on the row near the surcharge is higher than that on the other row, due to the "barrier" and arching effects in pile groups. The passive load and its distribution should be taken into account in the design of the passive piles.
基金Supported by the National Natural Science Foundation of China under Grant No.50879014
文摘The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly unsteady, generating vortices and requiring detailed analysis of fluid-structure interactions.An understanding of the complexities of such flows is of interest to engineers developing vehicles capable of high dynamic performance in their propulsion and maneuvering.In the present study, a CFD based RANS simulation of a 3-D fin body moving in a viscous fluid was developed.It investigated hydrodynamic performance by evaluating the hydrodynamic coefficients (lift, drag and moment) at two different oscillating frequencies.A parametric analysis of the factors that affect the hydrodynamic performance of the fin body was done, along with a comparison of results from experiments.The results of the simulation were found in close agreement with experimental results and this validated the simulation as an effective tool for evaluation of the unsteady hydrodynamic coefficients of 3-D fins.This work can be further be used for analysis of the stability and maneuverability of fin actuated underwater vehicles.
文摘The development of open-pit mines can adversely affect and even damage existing access tunnels. To ensure the safety and serviceability of them, it is essential to know potential adverse effects of the mining sequence on existing tunnels such as displacements of the lining and additional loads on the lining. In this paper, three-dimensional numerical parametric study is performed to explore this complex interaction. This study investigates the effects of different parameters that may affect the tunnel response. These parameters are: excavation sequence method, horizontal/vertical stress ratio, slope angle, and tunnel diameter. This study shows that the mining sequence affects the stability of the tunnels. The open-pit mining activities lead to both higher axial forces in rock bolts and normal forces and bending moments in the lining. The results of the analysis also demonstrate that the mining sequence causes tunnel heave and significant tensile forces in the lining. Based on the study in this paper a better understanding of the interaction between oDen-oit minin~ seouence and tunnels will he ohtained
文摘Recently, Zhou et al. [Phys. Rev. A 79 (2009) 044304] proposed a scheme for transferring three-dimensional quantum states between remote atomic qubits confined in cavities connected by fibers through adiabatic passage. In order to avoid the decoherence due to spontaneous emission, Zhou et al. utilized the large detuning atom-field interaction. In the present paper, we discuss the influence of dissipation on the scheme in both the resonant atom-field interaction case and the large detuning case. We numerically analyze the success probability and the transferring fidelity. It is shown that the resonant case is a preferable choice for the technique of the stimulated Raman adiabatic passage (STIRAP) due to the shorter operation time and the smaller probability of dissipation.
基金The project by the National Natural Science Foundation of China under Grant No.10774120by the Natural Science Foundation of Gansu Province,China under Grant No.3ZS051-A25-013by Creation of Science and Technology of Northwest Normal University,China under Grant No.NWNU-KJCXGC-03-17
文摘The stability and collective excitation of Bose-Einstein condensates with both two- and three-body interactions in a two-dimensional anhaxmonic trap (i.e., harmonic plus quartic trap) are investigated. By using the variational method, the influence of the three-body interaction and the anharmonicity on the stability axe discussed in detail. It is found that the anhaxmonicity of the trap and the three-body interaction have significant effect on the stability and collective excitations of the system.
基金Supported by Key Scientific Research Fund of Hunan Provincial Education Department of China under Grant No. 09A013Natural Science Foundation of Hunan Province of China under Grant No. 08J J3001Normal and Science Foundation of Hengyang Normal University of China under Grant No. 09A28
文摘A very simpJe theoretical scheme is proposed to implement two-and three-qubit controlled-phase gates firstly only using a single resonant interaction between ladder-type three-level atoms and the single-mode cavity. In the presented protocol, the quantum information is encoded on the stable ground states of the atoms (as the controlling qubits) and the zero- and one-photon Fock states of cavity-field (as the target qubit). Under the influence of the atomic spontaneous emission, the decay of the cavity-mode, and deviation of the coupling strength, the three-qubit controlled- phase gate may have a comparatively high fidelity. The experimental feasibility of controlled-phase gate and the ease that is extended to realize N-qubit controlled-phase gate are also discussed.
文摘Starting from the known variable separation excitations of a(2 + 1)-dimensional generalized Ablowitz-Kaup-Newell-Segur system,rich coherent structures can be derived.The interactions among different types of solitary waves like peakons,dromions,and compactons are investigated and some novel features or interesting behaviors are revealed.The results show that the interactions for peakon-dromion,compacton-dromion,and peakon-compacton may be completely nonelastic or completely elastic.
基金This research was jointly funded by the Second Tibetan Plateau Scientific Expedition and Research Program(Grant Nos.2019QZKK0103 and 2019QZKK0105)the National Natural Science Foundation of China(Grant Nos.91837208 and 42075085).
文摘Changes in the water cycle on the Tibetan Plateau(TP)have a significant impact on local agricultural production and livelihoods and its downstream regions.Against the background of widely reported warming and wetting,the hydrological cycle has accelerated and the likelihood of extreme weather events and natural disasters occurring(i.e.,snowstorms,floods,landslides,mudslides,and ice avalanches)has also intensified,especially in the highelevation mountainous regions.Thus,an accurate estimation of the intensity and variation of each component of the water cycle is an urgent scientific question for the assessment of plateau environmental changes.Following the transformation and movement of water between the atmosphere,biosphere and hydrosphere,the authors highlight the urgent need to strengthen the three-dimensional comprehensive observation system(including the eddy covariance system;planetary boundary layer tower;profile measurements of temperature,humidity,and wind by microwave radiometers,wind profiler,and radiosonde system;and cloud and precipitation radars)in the TP region and propose a practical implementation plan.The construction of such a three-dimensional observation system is expected to promote the study of environmental changes and natural hazards prevention.
文摘The process described here is well at the heart of the appearance of pigmentary materials and their interactions with light. It is indeed based on the property of colored materials to reflect, in a selective way, the colored radiations of light. The innovation is here based on a more subtle and more complete process, using the trichromy, i.e., all the possibilities of the white light, which is split in three primary radiations: red^een--blue. One can, indeed, animate a pigmentary surface by the alternate projection of these three colors, and thus reveal three different images on the same support, or create a motion effect. However, in this process, the weakness of bhie, compared to green and red, might constitute an obstacle. But that will be compensated by the use of fluorescent colors, instead of ordinary colors. This process may provide very spectacular applications in the fields of lighting, architecture, design, scenography, booths, display windows, etc.. We shall propose a step-to-step approach.
基金*Supported by National Natural Science Foundation of China under Grant Nos. 10874134, 11004001, and 10947115 and Anhui Province for Young Teachers Foundation under Crant No. 2010SQRL037ZD
文摘We investigate theoretically the single-photon scattering by a A-type three-level system interacting with a whispering-gallery-type resonator which is coupled to a one-dimensional waveguide by full quantum-mechanical approach. The single-photon transmission amplitude and reflection amplitude are obtained exactly via real-space approach. The single-photon transport properties controlling by classic optical field are discussed. The critical coupling condition in the coupled waveguide-whispering-gallery resonator-atom with three-level system is also analyzed.
基金The project supported by National Natural Science Foundation of China under Grant No. 10475021
文摘We study the energy spectra of a two-dimensional two-electron quantum dot (QD) with P6schl-Tefler confining potential under the influence of perpendicular homogeneous magnetic field. Calculations are made by using the method of numerical diagonalization of Hamiltonian matrix within the effectlve-mass approximation. A ground-state behavior (spin singlet-triplet transitions) as a function of the strength of a magnetic field is found. We find that the dot radius R of a Poeschl-Teller potential is important for the ground-state transition and the feature of ground-state for a Poeschl Teller QD and a parabolic QD is similar when R is larger. The larger the well depth, the higher the magnetic field for the singlet-triplet transition of the ground-state of two interacting electrons in a Poesehl-Teller QD.
基金Projects(51104078,51264023)supported by the National Natural Science Foundation of ChinaProject(2010CD022)supported by Yunnan Provincial Applied Basic Research Fund,China+2 种基金Project(IRT1250)supported by the Program for Innovative Research Team in University of Ministry of Education of ChinaProject(U1202271)supported by the National Natural Science Foundation of China-Yunnan United FundProject(KKZ3201252020)supported by Fund of Kunming University of Science and Technology for Talent Training,China
文摘To make sure the intermediate products of the carbothermic reduction of Al2O3 process, such as Al4CO4, Al2CO and Al4C3,and the interaction of AlCl, AlCl2, AlCl3 with Al4CO4, Al2CO and Al4C3, respectively, thermodynamic analyses were used to study the chloride reaction production of them under the vacuum situation. The stable structures and electronic properties of AlCl, AlCl2 and AlCl3 adsorbed on Al4CO4, Al2CO and Al4C3 were calculated by first-principles calculations by the CASTEP module in the Materials Studio program. The results show that the AlCl3 and AlCl2 molecules have decomposed on the plane of Al4C3(001), while there are no obvious decomposition of AlCl3 and AlCl2 on Al4CO4(001) and Al2CO(001) planes. The adsorption of AlCl on the Al4CO4(001)and Al2CO(001) planes is stronger than that on the Al4C3(001) plane. The interaction strength of AlCl3, as well as AlCl2, with Al4CO4,Al2CO and Al4C3 is in the sequence of Al4CO4Al2CO〉Al4C3.
基金supported by the National Natural Science Foundation of China (Nos. 51209060 and 51106034)the ‘111’ Project Foundation from Ministry of Education and State Administration of Foreign Experts Affairs (No. B07019), Chinathe National Special Foundation for Ocean Energy (No. GHME2010CY01)
文摘The objective of this study was to develop, as well as validate the strongly coupled method (two-way fluid structural interaction (FSI)) used to simulate the transient FSI response of the vertical axis tidal turbine (VATT) rotor, subjected to spatially varying inflow. Moreover, this study examined strategies on improving techniques used for mesh deformation that account for large displacement or deformation calculations. The blade's deformation for each new time step is considered in transient two-way FSI analysis, to make the design more reliable. Usually this is not considered in routine one-way FSI simulations. A rotor with four blades and 4-m diameter was modeled and numerically analyzed. We observed that two-way FSI, utilizing the strongly coupled method, was impossible for a complex model; and thereby using ANSYS-CFX and ANSYS-MECHANICAL in work bench, as given in ANSYS-WORKBENCH, helped case examples 22 and 23, by giving an error when the solution was run. To make the method possible and reduce the computational power, a novel technique was used to transfer the file in ANSYS-APDL to obtain the solution and results. Consequently, the results indicating a two-way transient FSI analysis is a time- and resource-consuming job, but with our proposed technique we can reduce the computational time. The ANSYS STRUCTURAL results also uncover that stresses and deformations have higher values for two-way FSI as compared to one-way FSI. Similarly, fluid flow CFX results for two-way FSI are closer to experimental results as compared to one-way simulation results. Additionally, this study shows that, using the proposed method we can perform coupled simulation with simple multi-node PCs (core i5).
文摘Using density functional theory (DFT) calculations, we rationally designed metallic nanocatalysts with ternary transition metals for oxygen reduction reactions (ORRs) in fuel cell applications. We surrounded binary core-shell nanoparticles with a Pt skin layer. To overcome surface segregation of the core 3-d transition metal, we identified the binary alloy Cu0.76Ni0.24 as having strongly attractive atomic interactions by computationally screening 158 different alloy configurations using energy convex hull theory. The PtskinCu0.76Ni0.24 nanoparticle showed better electrochemical stability than pure Pt nanoparticles -3 nm in size. We propose that the underlying mechanism originates from favorable compressive strain on Pt for ORR catalysis and atomic interactions among the nanoparticle shells for electrochemical stability. Our results will contribute to accurate identification and innovative design of promising nanomaterials for renewable energy systems.
基金supported by the National Basic Research Program of China (2010CB732404, 2010CB923303)the National Natural Science Foundation of China (21175020, 90713023, 20925104)+4 种基金the Project of High Technology Research and Development Program of China (2007AA022007)Gongdong Province (2011B090400357)the Natural Science Foundation of Jiangsu Province (BK2008149, BK2010052)C. W. acknowledges the Fundamental Research Funds for the Central Universities (ZYGX2011J099)the support by the Open Research Fund of State Key Laboratory of Bioelectronics, Southeast University (2011E09)
文摘The interactions between the new organometallic complexes, ferrocenesubstituted dithioocarborane conjugates (denoted as FcSB1, FcSB2 and FcSBCO) and hemoglobin (Hb) are investigated by electrochemistry, fluorescence and UVvis absorption spectroscopy. The results demonstrate that FcSB1, FcSB2 and FcSBCO can bind to the heme iron center through the replacement of the weakly bound H20/02 in the distal heme pocket of Hb by their sulfur donor atoms, inducing the allosteric change from the R state (oxygenated conformation, relax) to T state (deoxygenated conformation, tense). The binding affinity is in the order of FcSBCO〉FeSB2〉FeSB1. Moreover, the fluorescence study illustrates that the three ferrocenecarborane conjugates differently affect the quarterly and tertiary structures as well as the polarity in the surrounding of the Trp and Tyr residues in Hb. Typically, FcSB2 mainly induces alterations of the microenvironment around the 1337Trp residue which is located on the cql32 interface of Hb. Such distinct influences are attributed to the structural features of FcSB1, FcSB2 and FcSBCO containing hydrophobic ferrocenyl and carboranyl units as well as C=O group. Screening the proteinbinding behavior can signify the potential bioactivity of such molecules and may be helpful in the future development of promising multifunctional metallodrugs.