The collecting power of tertiary amines(DRN,DEN and DPN) on kaolinite follows the order of DENDPNDRN.After reacting with DRN,DEN and DPN,the surface potentials of kaolinite increase remarkably,and the recruitments c...The collecting power of tertiary amines(DRN,DEN and DPN) on kaolinite follows the order of DENDPNDRN.After reacting with DRN,DEN and DPN,the surface potentials of kaolinite increase remarkably,and the recruitments caused by collectors also follow the order of DENDPNDRN.The results of dynamics simulation show that the geometries of substituent groups bonding to N are deflected and twisted,and some of bond angles are changed when tertiary amines cations adsorb on kaolinite(001) surface.Based on the results of dynamics simulations and quantum chemistry calculations,the electrostatic forces between three tertiary amines cations and 4×4×3(001) plane of kaolinite are 1.38×10?7 N(DRN12H+),1.44×10-6 N(DEN12H+),1.383×10-6 N(DPN12H+),respectively.展开更多
A new horn failure mechanism was constructed for tunnel faces in the soft rock mass by means of the logarithmic spiral curve. The seismic action was incorporated into the horn failure mechanism using the pseudo-static...A new horn failure mechanism was constructed for tunnel faces in the soft rock mass by means of the logarithmic spiral curve. The seismic action was incorporated into the horn failure mechanism using the pseudo-static method. Considering the randomness of rock mass parameters and loads, a three-dimensional (3D) stochastic collapse model was established. Reliability analysis of seismic stability of tunnel faces was presented via the kinematical approach and the response surface method. The results show that, the reliability of tunnel faces is significantly affected by the supporting pressure, geological strength index, uniaxial compressive strength, rock bulk density and seismic forces. It is worth noting that, if the effect of seismic force was not considered, the stability of tunnel faces would be obviously overestimated. However, the correlation between horizontal and vertical seismic forces can be ignored under the condition of low calculation accuracy.展开更多
When underground cavities are subjected to explosive stress waves,a uniquely damaged zone may appear due to the combined effect of dynamic loading and static pre-load stress.In this study,a rate-dependent two-dimensio...When underground cavities are subjected to explosive stress waves,a uniquely damaged zone may appear due to the combined effect of dynamic loading and static pre-load stress.In this study,a rate-dependent two-dimensional rock dynamic constitutive model was established to investigate the dynamic fractures of rocks under different static stress conditions.The effects of the loading rate and peak amplitude of the blasting wave under different confining pressures and the vertical compressive coefficient(K_(0))were considered.The numerical simulated results reproduced the initiation and further propagation of primary radial crack fractures,which were in agreement with the experimental results.The dynamic loading rate,peak amplitude,static vertical compressive coefficient(K_(0))and confining pressure affected the evolution of fractures around the borehole.The heterogeneity parameter(m)plays an important role in the evolution of fractures around the borehole.The crack propagation path became more discontinuous and rougher in a smallerheterogeneity parameter case.展开更多
A new approach is proposed to analyze the settlement behavior for single pile embedded in layered soils. Firstly, soil layers surrounding pile shaft are simulated by using distributed Voigt model, and finite soil laye...A new approach is proposed to analyze the settlement behavior for single pile embedded in layered soils. Firstly, soil layers surrounding pile shaft are simulated by using distributed Voigt model, and finite soil layers under the pile end are assumed to be virtual soil-pile whose cross-section area is the same as that of the pile shaft. Then, by means of Laplace transform and impedance function transfer method to solve the static equilibrium equation of pile, the analytical solution of the displacement impedance fimction at the pile head is derived. Furthermore, the analytical solution of the settlement at the head of single pile is theoretically derived by virtue of convolution theorem. Based on these solutions, the influences of parameters of soil-pile system on the settlement behavior for single pile are analyzed. Also, comparison of the load-settlement response for two well-instrumented field tests in multilayered soils is given to demonstrate the effectiveness and accuracy of the proposed approach. It can be noted that the presented solution can be used to calculate the settlement of single pile for the preliminary design of pile foundation.展开更多
Myoglobin has important biological functions in storing and transporting small diatomic molecules in human body. Two possible orientations of carbon monoxide (CO) in the heme distal pocket (named as BI and B2 state...Myoglobin has important biological functions in storing and transporting small diatomic molecules in human body. Two possible orientations of carbon monoxide (CO) in the heme distal pocket (named as BI and B2 states) of myoglobin have been experimentally indicated. In this study, ab initio quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulation of CO in myoglobin was carried out to investigate the two possible B states. Our results demonstrate that the B1 and B2 states correspond to Fe... CO (with carbon atom closer to iron center of heme) and Fe... OC (with oxygen atom closer to Fe), by comparing with the experimental infrared spectrum. QM electrostatic polarization effect on CO brought from the protein and solvent environment is the main driving force, which anchors CO in two distinctive orientations and hinders its rotation. The calculated vibrational frequency shift between the state B1 and B2 is 13.1 cm-1, which is in good agreement with experimental value of 11.5 cm-1. This study also shows that the electric field produced by the solvent plays an important role in assisting protein functions by exerting directional electric field at the active site of the protein, From residue-based electric field decomposition, several residues were found to have most contributions to the total electric field at the CO center, including a few charged residues and three adjacent uncharged polar residues (namely, HIS64, ILE107, and PHE43). This study provides new physical insights on rational design of enzyme with higher electric field at the active site.展开更多
A fully nonlinear,three-dimensional nonhydrostatic model driven by four principal tidal constituents(M2,S2,K1,and O1) is used to investigate the spatial-temporal characteristics and energetics of internal tides in Luz...A fully nonlinear,three-dimensional nonhydrostatic model driven by four principal tidal constituents(M2,S2,K1,and O1) is used to investigate the spatial-temporal characteristics and energetics of internal tides in Luzon Strait(LS).The model results show that,during spring(neap) tides,about 64(47) GW(1 GW=109 W) of barotropic tidal energy is consumed in LS,of which 59.0%(50.5%) is converted to baroclinic tides.About 22(11) GW of the derived baroclinic energy flux subsequently passes from LS,among which 50.9%(54.3%) flows westward into the South China Sea(SCS) and 45.0%(39.7%) eastward into the Pacific Ocean,and the remaining 16(13) GW is lost locally owing to dissipation and convection.It is revealed that generation areas of internal tides vary with the spring and neap tide,indicating different source areas for internal solitary waves in the northern SCS.The region around the Batan Islands is the most important generation region of internal tides during both spring and neap tides.In addition,the baroclinic tidal energy has pronounced seasonal variability.Both the total energy transferred from barotropic tides to baroclinic tides and the baroclinic energy flux flowing out of LS are the highest in summer and lowest in winter.展开更多
To investigate the effects of pressure on the hot isostatic pressing(HIP) process of a stainless steel powder,density distribution and deformation of the powder at four different applied pressure levels were predicted...To investigate the effects of pressure on the hot isostatic pressing(HIP) process of a stainless steel powder,density distribution and deformation of the powder at four different applied pressure levels were predicted and compared by using finite element method(FEM).Constitutive relations of porous compacts during HIP process were derived based on the yield criterion of porous metal materials.Thermo-mechanical coupling calculations were carried out by the MSC.Marc.Densification mechanisms were studied through evolutions of relative density,equivalent plastic strain and equivalent viscoplastic strain rate for compacts.The simulation results were also compared with experimental data.The results show that the densification rate and final density of compacts increase dramatically with the increase in the applied pressure level when it is below 100 MPa during HIP process,and the creep for compacts evolves into steady stage with the improvement of density.展开更多
Many engineering materials demonstrate dynamic enhancement of their compressive strength with the increase of strain-rate, which have been included in material models to improve the reliability of numerical simulation...Many engineering materials demonstrate dynamic enhancement of their compressive strength with the increase of strain-rate, which have been included in material models to improve the reliability of numerical simulations of the material and structural responses under impact and blast loads. The strain-rate effects on the dynamic compressive strength of a range of engineering materials which behave in hydrostatic-stress-sensitive manner were investigated. It is concluded that the dynamic enhancement of the compressive strength of a hydrostatic-stress-sensitive material may include inertia-induced lateral confinement effects, which, as a non-strain-rate factor, may greatly enhance the compressive strength of these materials. Some empirical formulae based on the dynamic stress-strain measurements over-predict the strain-rate effects on the compressive strength of these hydrostatic-stress-sensitive materials, and thus may over-estimate the structural resistance to impact and blast loads, leading to non-conservative design of protective structures.展开更多
This paper considers the design of EMAT (Electro-Magnetic Acoustic Transducer) based on numerical simulation. The EMAT consists of an exiting coil and two permanent magnets, which transmits the ultrasonic wave by th...This paper considers the design of EMAT (Electro-Magnetic Acoustic Transducer) based on numerical simulation. The EMAT consists of an exiting coil and two permanent magnets, which transmits the ultrasonic wave by the Lorentz force between the eddy current and the static magnetic field by the magnets. From the experimental result on self-prepared EMATs, the intensity and the directivity of the transmitted wave depend on the widths of the coil and the magnets. By means of EEM analysis the authors attempt to determine the optimal values of the above widths such that both the intensity and the directivity achieve the maximum or allowable performance.展开更多
The radial force is a critical factor to determine the sealing performance of radial lip seals.The effects of radial force produced by garter spring and interference on the static contact properties and sealing perfor...The radial force is a critical factor to determine the sealing performance of radial lip seals.The effects of radial force produced by garter spring and interference on the static contact properties and sealing performance of a radial lip seal are investigated by numerical simulations and experiments.Finite-element analysis and mixed elastohydrodynamic lubrication simulation are used.Radial force,contact width,temperature in the sealing zone,the reverse pumping rate and friction torque are measured.A critical value of interference for a cost-effectively designed radial lip seal is found.Spring force is required to compensate the decrease of the radial force because of the interference and used as a possible way to obtain intelligent control of sealing performance.The quantitative results gotten in this study could provide guide for the seal design and improvement.展开更多
Global existence of weak and strong solutions to the quasi-hydrostatic primitive equations is studied in this paper. This model, that derives from the full non-hydrostatic model for geophysical fluid dynamics in the z...Global existence of weak and strong solutions to the quasi-hydrostatic primitive equations is studied in this paper. This model, that derives from the full non-hydrostatic model for geophysical fluid dynamics in the zero-limit of the aspect ratio, is more realistic than the classical hydrostatic model, since the traditional approximation that consists in neglecting a part of the Coriolis force is relaxed. After justifying the derivation of the model, the authors provide a rigorous proof of global existence of weak solutions, and well-posedness for strong solutions in dimension three.展开更多
基金Project (2005CB623701) supported by the National Basic Research Program of China Project (201011031) supported by National Department Public Benefit Research Foundation from Ministry of Land and Resources of China+1 种基金 Project (2935) supported by the Foundation for the Author of Zhengzhou Institute of Multipurpose Utilization of Mineral Resources CAGS, China Project (1212011120304) supported by the Geological Surrey Program
文摘The collecting power of tertiary amines(DRN,DEN and DPN) on kaolinite follows the order of DENDPNDRN.After reacting with DRN,DEN and DPN,the surface potentials of kaolinite increase remarkably,and the recruitments caused by collectors also follow the order of DENDPNDRN.The results of dynamics simulation show that the geometries of substituent groups bonding to N are deflected and twisted,and some of bond angles are changed when tertiary amines cations adsorb on kaolinite(001) surface.Based on the results of dynamics simulations and quantum chemistry calculations,the electrostatic forces between three tertiary amines cations and 4×4×3(001) plane of kaolinite are 1.38×10?7 N(DRN12H+),1.44×10-6 N(DEN12H+),1.383×10-6 N(DPN12H+),respectively.
基金Projects(51804113,51434006,51874130)supported by the National Natural Science Foundation of ChinaProject(E51768)supported by the Doctoral Initiation Foundation of Hunan University of Science and Technology,China+1 种基金Project(E61610)supported by the Postdoctoral Research Foundation of Hunan University of Science and Technology,ChinaProject(E21734)supported by the Open Foundation of Work Safety Key Lab on Prevention and Control of Gas and Roof Disasters for Southern Coal Mines,China
文摘A new horn failure mechanism was constructed for tunnel faces in the soft rock mass by means of the logarithmic spiral curve. The seismic action was incorporated into the horn failure mechanism using the pseudo-static method. Considering the randomness of rock mass parameters and loads, a three-dimensional (3D) stochastic collapse model was established. Reliability analysis of seismic stability of tunnel faces was presented via the kinematical approach and the response surface method. The results show that, the reliability of tunnel faces is significantly affected by the supporting pressure, geological strength index, uniaxial compressive strength, rock bulk density and seismic forces. It is worth noting that, if the effect of seismic force was not considered, the stability of tunnel faces would be obviously overestimated. However, the correlation between horizontal and vertical seismic forces can be ignored under the condition of low calculation accuracy.
基金Projects(51878190,51779031,51678170)supported by the National Natural Science Foundation of China。
文摘When underground cavities are subjected to explosive stress waves,a uniquely damaged zone may appear due to the combined effect of dynamic loading and static pre-load stress.In this study,a rate-dependent two-dimensional rock dynamic constitutive model was established to investigate the dynamic fractures of rocks under different static stress conditions.The effects of the loading rate and peak amplitude of the blasting wave under different confining pressures and the vertical compressive coefficient(K_(0))were considered.The numerical simulated results reproduced the initiation and further propagation of primary radial crack fractures,which were in agreement with the experimental results.The dynamic loading rate,peak amplitude,static vertical compressive coefficient(K_(0))and confining pressure affected the evolution of fractures around the borehole.The heterogeneity parameter(m)plays an important role in the evolution of fractures around the borehole.The crack propagation path became more discontinuous and rougher in a smallerheterogeneity parameter case.
基金Project(50879077) supported by the National Natural Science Foundation of China
文摘A new approach is proposed to analyze the settlement behavior for single pile embedded in layered soils. Firstly, soil layers surrounding pile shaft are simulated by using distributed Voigt model, and finite soil layers under the pile end are assumed to be virtual soil-pile whose cross-section area is the same as that of the pile shaft. Then, by means of Laplace transform and impedance function transfer method to solve the static equilibrium equation of pile, the analytical solution of the displacement impedance fimction at the pile head is derived. Furthermore, the analytical solution of the settlement at the head of single pile is theoretically derived by virtue of convolution theorem. Based on these solutions, the influences of parameters of soil-pile system on the settlement behavior for single pile are analyzed. Also, comparison of the load-settlement response for two well-instrumented field tests in multilayered soils is given to demonstrate the effectiveness and accuracy of the proposed approach. It can be noted that the presented solution can be used to calculate the settlement of single pile for the preliminary design of pile foundation.
文摘Myoglobin has important biological functions in storing and transporting small diatomic molecules in human body. Two possible orientations of carbon monoxide (CO) in the heme distal pocket (named as BI and B2 states) of myoglobin have been experimentally indicated. In this study, ab initio quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulation of CO in myoglobin was carried out to investigate the two possible B states. Our results demonstrate that the B1 and B2 states correspond to Fe... CO (with carbon atom closer to iron center of heme) and Fe... OC (with oxygen atom closer to Fe), by comparing with the experimental infrared spectrum. QM electrostatic polarization effect on CO brought from the protein and solvent environment is the main driving force, which anchors CO in two distinctive orientations and hinders its rotation. The calculated vibrational frequency shift between the state B1 and B2 is 13.1 cm-1, which is in good agreement with experimental value of 11.5 cm-1. This study also shows that the electric field produced by the solvent plays an important role in assisting protein functions by exerting directional electric field at the active site of the protein, From residue-based electric field decomposition, several residues were found to have most contributions to the total electric field at the CO center, including a few charged residues and three adjacent uncharged polar residues (namely, HIS64, ILE107, and PHE43). This study provides new physical insights on rational design of enzyme with higher electric field at the active site.
基金Supported by the Key Program of National Natural Science Foundation of China(No.41030855)the National High Technology Research and Development Program of China(863 Program)(No.2008AA09A402)
文摘A fully nonlinear,three-dimensional nonhydrostatic model driven by four principal tidal constituents(M2,S2,K1,and O1) is used to investigate the spatial-temporal characteristics and energetics of internal tides in Luzon Strait(LS).The model results show that,during spring(neap) tides,about 64(47) GW(1 GW=109 W) of barotropic tidal energy is consumed in LS,of which 59.0%(50.5%) is converted to baroclinic tides.About 22(11) GW of the derived baroclinic energy flux subsequently passes from LS,among which 50.9%(54.3%) flows westward into the South China Sea(SCS) and 45.0%(39.7%) eastward into the Pacific Ocean,and the remaining 16(13) GW is lost locally owing to dissipation and convection.It is revealed that generation areas of internal tides vary with the spring and neap tide,indicating different source areas for internal solitary waves in the northern SCS.The region around the Batan Islands is the most important generation region of internal tides during both spring and neap tides.In addition,the baroclinic tidal energy has pronounced seasonal variability.Both the total energy transferred from barotropic tides to baroclinic tides and the baroclinic energy flux flowing out of LS are the highest in summer and lowest in winter.
基金Project(2007AA03Z115) supported by the National High Technology Research and Development Program of ChinaProject(2009ZX04005-041-03) supported by the National Science and Technology Major Program of ChinaProject(2010MS046) supported by the Independent Fund of Huazhong University of Science and Technology,China
文摘To investigate the effects of pressure on the hot isostatic pressing(HIP) process of a stainless steel powder,density distribution and deformation of the powder at four different applied pressure levels were predicted and compared by using finite element method(FEM).Constitutive relations of porous compacts during HIP process were derived based on the yield criterion of porous metal materials.Thermo-mechanical coupling calculations were carried out by the MSC.Marc.Densification mechanisms were studied through evolutions of relative density,equivalent plastic strain and equivalent viscoplastic strain rate for compacts.The simulation results were also compared with experimental data.The results show that the densification rate and final density of compacts increase dramatically with the increase in the applied pressure level when it is below 100 MPa during HIP process,and the creep for compacts evolves into steady stage with the improvement of density.
文摘Many engineering materials demonstrate dynamic enhancement of their compressive strength with the increase of strain-rate, which have been included in material models to improve the reliability of numerical simulations of the material and structural responses under impact and blast loads. The strain-rate effects on the dynamic compressive strength of a range of engineering materials which behave in hydrostatic-stress-sensitive manner were investigated. It is concluded that the dynamic enhancement of the compressive strength of a hydrostatic-stress-sensitive material may include inertia-induced lateral confinement effects, which, as a non-strain-rate factor, may greatly enhance the compressive strength of these materials. Some empirical formulae based on the dynamic stress-strain measurements over-predict the strain-rate effects on the compressive strength of these hydrostatic-stress-sensitive materials, and thus may over-estimate the structural resistance to impact and blast loads, leading to non-conservative design of protective structures.
文摘This paper considers the design of EMAT (Electro-Magnetic Acoustic Transducer) based on numerical simulation. The EMAT consists of an exiting coil and two permanent magnets, which transmits the ultrasonic wave by the Lorentz force between the eddy current and the static magnetic field by the magnets. From the experimental result on self-prepared EMATs, the intensity and the directivity of the transmitted wave depend on the widths of the coil and the magnets. By means of EEM analysis the authors attempt to determine the optimal values of the above widths such that both the intensity and the directivity achieve the maximum or allowable performance.
基金supported by the National Natural Science Foundation of China(Grant No.51175283)the National Science and Technology Major Project of China(Grant No.2013ZX04010021)the Ph.D Programs Foundation of Ministry of Education of China(Grant No.20130002110006)
文摘The radial force is a critical factor to determine the sealing performance of radial lip seals.The effects of radial force produced by garter spring and interference on the static contact properties and sealing performance of a radial lip seal are investigated by numerical simulations and experiments.Finite-element analysis and mixed elastohydrodynamic lubrication simulation are used.Radial force,contact width,temperature in the sealing zone,the reverse pumping rate and friction torque are measured.A critical value of interference for a cost-effectively designed radial lip seal is found.Spring force is required to compensate the decrease of the radial force because of the interference and used as a possible way to obtain intelligent control of sealing performance.The quantitative results gotten in this study could provide guide for the seal design and improvement.
基金supported by the ANR (No. ANR-06-BLAN0306-01)the National Science Foundation (No.NSF-DMS-0906440) and the Research Fund of Indiana University
文摘Global existence of weak and strong solutions to the quasi-hydrostatic primitive equations is studied in this paper. This model, that derives from the full non-hydrostatic model for geophysical fluid dynamics in the zero-limit of the aspect ratio, is more realistic than the classical hydrostatic model, since the traditional approximation that consists in neglecting a part of the Coriolis force is relaxed. After justifying the derivation of the model, the authors provide a rigorous proof of global existence of weak solutions, and well-posedness for strong solutions in dimension three.