We study CO_(2) injection into a saline aquifer intersected by a tectonic fault using a coupled modeling approach to evaluate potential geomechanical risks.The simulation approach integrates the reservoir and mechanic...We study CO_(2) injection into a saline aquifer intersected by a tectonic fault using a coupled modeling approach to evaluate potential geomechanical risks.The simulation approach integrates the reservoir and mechanical simulators through a data transfer algorithm.MUFITS simulates non-isothermal multiphase flow in the reservoir,while FLAC3D calculates its mechanical equilibrium state.We accurately describe the tectonic fault,which consists of damage and core zones,and derive novel analytical closure relations governing the permeability alteration in the fault zone.We estimate the permeability of the activated fracture network in the damage zone and calculate the permeability of the main crack in the fault core,which opens on asperities due to slip.The coupled model is applied to simulate CO_(2) injection into synthetic and realistic reservoirs.In the synthetic reservoir model,we examine the impact of formation depth and initial tectonic stresses on geomechanical risks.Pronounced tectonic stresses lead to inelastic deformations in the fault zone.Regardless of the magnitude of tectonic stress,slip along the fault plane occurs,and the main crack in the fault core opens on asperities,causing CO_(2) leakage out of the storage aquifer.In the realistic reservoir model,we demonstrate that sufficiently high bottomhole pressure induces plastic deformations in the near-wellbore zone,interpreted as rock fracturing,without slippage along the fault plane.We perform a sensitivity analysis of the coupled model,varying the mechanical and flow properties of the storage layers and fault zone to assess fault stability and associated geomechanical risks.展开更多
In order to analyze the factors influencing sandstone mechanical compaction and its physical property evolution during compaction processes, simulation exper- iments on sandstone mechanical compaction were carried out...In order to analyze the factors influencing sandstone mechanical compaction and its physical property evolution during compaction processes, simulation exper- iments on sandstone mechanical compaction were carried out with a self-designed diagenetic simulation system. The experimental materials were modem sediments from dif- ferent sources, and the experiments were conducted under high temperature and high pressure. Results of the exper- iments show a binary function relation between primary porosity and mean size as well as sorting. With increasing overburden pressure during mechanical compaction, the evolution of porosity and permeability can be divided into rapid compaction at an early stage and slow compaction at a late stage, and the dividing pressure value of the two stages is about 12 MPa and the corresponding depth is about 600 m. In the slow compaction stage, there is a good exponential relationship between porosity and overburden pressure, while a good power function relationship exists between permeability and overburden pressure. There is also a good exponential relationship between porosity and permeability. The influence of particle size on sandstone mechanical compaction is mainly reflected in the slowcompaction stage, and the influence of sorting is mainly reflected in the rapid compaction stage. Abnormally high pressure effectively inhibits sandstone mechanical com- paction, and its control on sandstone mechanical com- paction is stronger than that of particle size and sorting. The influence of burial time on sandstone mechanical compaction is mainly in the slow compaction stage, and the porosity reduction caused by compaction is mainly con- trolled by average particle size.展开更多
The main impurities in aluminum melt are hydrogen and Al_2O_3,which can deteriorate melt quality and materials performance.However,the diffusion process of H atoms in aluminum melt and the interactions among Al atoms,...The main impurities in aluminum melt are hydrogen and Al_2O_3,which can deteriorate melt quality and materials performance.However,the diffusion process of H atoms in aluminum melt and the interactions among Al atoms,Al_2O_3 and hydrogen have been studied rarely.Molecular mechanics and dynamics simulations are employed to study the diffusion behaviors of different types of hydrogen,such as free H atoms,H atoms in H_2 and H^+ions in H_2O using COMPASS force field.Correspondingly,force field types h,h1h and h1o are used to describe different types of hydrogen which are labeled as H_h,H_(h1h) and H_(h1o).The results show that the adsorption areas are maximum for H_(h1o),followed by H_(h1h) and H_h.The diffusion ability of H_(h1o) is the strongest whereas H_h is hard to diffuse in aluminum melt because of the differences in radius and potential well depth of various types of hydrogen.Al_2O_3 cluster makes the Al atoms array disordered,creating the energy conditions for hydrogen diffusion in aluminum melt.Al_2O_3 improves the diffusion of H_h and H_(h1o),and constrains H_(h1h) which accumulates around it and forms gas porosities in aluminum.H_(h1o) is the most dispersive in aluminum melt,moreover,the distance of Al-H_(h1o) is shorter than that of Al-H_(h1h),both of which are detrimental to the removal of H_(h1o).The simulation results indicate that the gas porosities can be eliminated by the removal of Al_2O_3 inclusions,and the dispersive hydrogen can be removed by adsorption function of gas bubbles or molten fluxes.展开更多
At a fully mechanized working face of a coal mine as prototype,we investigated,by simulation,the flow field and dust distribution during the process of its isolation by a curtain of air,using the CFD software, Fluent....At a fully mechanized working face of a coal mine as prototype,we investigated,by simulation,the flow field and dust distribution during the process of its isolation by a curtain of air,using the CFD software, Fluent.The results show that the air curtain installed on the shearer can effectively prevent the dust （especially the respirable dust）from diffusing into the work area of the operator,reducing the dust concentration on the side of the operator and greatly improving his working environment.The field application of the air curtain shows that the dust-isolation effect of an air curtain is quite noticeable.The isolation efficiency for respiratory dust is over 70%and,as well,it has good dust-isolation effect for nonrespiratory dust.The air curtain is a useful way to resolve the problem of dust-isolation at a fully mechanized working face.It has a practical background elsewhere with more extensive applications.展开更多
Local melting and the eutectic film and liquation crack formation mechanisms during friction spot weld- ing （FSpW） of Al-Zn-Mg-Cu alloy were studied by both experiment and finite element simulation. Their effects on...Local melting and the eutectic film and liquation crack formation mechanisms during friction spot weld- ing （FSpW） of Al-Zn-Mg-Cu alloy were studied by both experiment and finite element simulation. Their effects on mechanical properties of the joint were examined. When the welding heat input was high, the peak temperature in the stir zone was higher than the incipient melting temperature of the Al-Zn-Mg-Cu alloy. This resulted in local melting along the grain boundaries in this zone. In the retreating stage of the welding process, the formed liquid phase was driven by the flowing plastic material and redistributed as a ＂U-shaped＂ line in the stir zone. In the following cooling stage, this liquid phase transformed into eutectic films and liquation cracks. As a result, a new characteristic of＂U＂ line that consisted of eutectic films and liquation cracks is formed in the FSpWjoin. This ＂U＂ line was located in the high stress region when the FSpW joint was loaded, thus it was adverse to the mechanical properties of the FSpW joint. During tensile shear tests, the ＂U＂ line became a preferred crack propagation path, resulting in the occurrence of brittle fracture.展开更多
The low salinity water lenses（LSWLes） in the expansion area of the Changjiang diluted water（CDW） exist in a certain period of time in some years. The impact of realistic river runoff, ocean currents and weather co...The low salinity water lenses（LSWLes） in the expansion area of the Changjiang diluted water（CDW） exist in a certain period of time in some years. The impact of realistic river runoff, ocean currents and weather conditions need to be taken into account in the dynamical analysis of LSWL, which is in need of research. In this paper, the POM-σ-z model is used to set up the numerical model for the expansion of the CDW. Then LSWL in summer 1977 is simulated, and its dynamic mechanism driven by wind, tide, river runoff and the Taiwan Warm Current is also analyzed. The simulated results indicate that the isolated LSWL detaches itself from the CDW near the river mouth, and then moves towards the northeast region outside the Changjiang Estuary. Its maintaining period is from July 26 to August 11. Its formation and development is mainly driven by two factors. One is the strong southeasterly wind lasting for ten days. The other is the vertical tidal mixing during the transition from neap tide to spring tide.展开更多
Using finite element technique of the plane-strain problem in solid-liquid two-phase medium, we Studied the char acteristics of 'field precursors' and 'focus precursors' of subsurface fluid and their s...Using finite element technique of the plane-strain problem in solid-liquid two-phase medium, we Studied the char acteristics of 'field precursors' and 'focus precursors' of subsurface fluid and their spatial-temporal evolution in case of dip-slip earthquake. The results show that: ① the change of ground fluid is slow and the anomaly is not prominent in the early period which is of elastic accumulation and non-linear; ② dilatancy emerges and anomalyfocus mainly in the source region in the moderate period which is hardening and of local dilatancy. In the period the focus precursors emerge earlier than the field precursors; ③ anomalies spreed continuously in the source area and new regions with big anomaly emerge out of the source region in the middle-short period which is of large scale dilatancy.展开更多
The deformation and micro-voids formation mechanisms in ferrite / bainite（ F / B） multi-phase steel with the volume fraction of bainite less than 50% were studied by numerical simulation and experimental observation...The deformation and micro-voids formation mechanisms in ferrite / bainite（ F / B） multi-phase steel with the volume fraction of bainite less than 50% were studied by numerical simulation and experimental observation. The results show that the micro-strain concentrates at the soft / hard phase（ F / B） interface in the multi-phase steel,which should be correlated with the mechanism of incoordinate deformation. During the necking of the steel,the micro-voids initially form around the F / B interface,which also form in ferrite and bainite with the severe strain. The micro-voids in bainite are more dense and finer than those in ferrite. The failure mechanism of bainite is the coalescence of micro-voids,and the failure mechanism of ferrite is the growth and tearing of micro-voids. Due to the different failure mechanisms of ferrite and bainite,a suitable part of soft phase would be beneficial to the capability of anti-failure of F / B multi-phase steel during the ductile fracture.展开更多
Calmodulin （CAM） is involved in the regulation of a variety of cellular signaling pathways. To accomplish its physiological functions, CaM binds with Ca2＋ at its EF-hand Ca2＋ binding sites which induce the conform...Calmodulin （CAM） is involved in the regulation of a variety of cellular signaling pathways. To accomplish its physiological functions, CaM binds with Ca2＋ at its EF-hand Ca2＋ binding sites which induce the conformational switching of CaM. However, the molecular mechanism by which Ca2＋ binds with CaM and induces conformational switching is still obscure. Here we combine molecular dynamics with targeted molecular dynamics simulation and achieve the state-transition pathway of CaM. Our data show that Ca2＋ binding speeds up the conformational transition of CaM by weakening the interactions which stabilize the closed state. It spends about 6.5 ns and 5.25 ns for transition from closed state to open state for apo and holo CaM, respectively. Regarding the contribution of two EF-hands, our data indicate that the first EF-hand triggers the conformational transition and is followed by the second one. We determine that there are two interaction networks which contribute to stabilize the closed and open states, respectively.展开更多
A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and q...A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational technique of quantum tomography, which applies broadly to cases of mixed states, nonunitary evolution, and infinite dimensional systems. The simulation provides an intriguing classical picture to probe quantum phenomena, namely, a coherent quantum dynamics can be viewed as a globally constrained classical Hamiltonian dynamics of a collection of coupled particles or strings. Efficiency analysis reveals a fundamental difference between the locality in real space and locality in Hilbert space, the latter enables efficient strong analog classical simulations. Examples are also studied to highlight the differences and gaps among various simulation methods.展开更多
Convection and its ensuing severe weather, such as heavy rainfall, hail, tornado, and high wind, have significant im- pacts on our society and economy （e.g., Cao et al., 2004; Fritsch and Carbone, 2004; Verbout et al...Convection and its ensuing severe weather, such as heavy rainfall, hail, tornado, and high wind, have significant im- pacts on our society and economy （e.g., Cao et al., 2004; Fritsch and Carbone, 2004; Verbout et al., 2006; Ashley and Black, 2008; Cao, 2008; Cao and Ma, 2009; Zhang et al., 2014）. Due to its localized and transient nature, the initiation of convection or convective initiation remains one of the least understood aspects of convection in the scientific communi- ties, and it is a significant challenge to accurately predict the exact timing and location of convective initiation （e.g., Cai et al., 2006; Wilson and Roberts, 2006; Xue and Martin, 2006; Cao and Zhang, 2016）.展开更多
The occlusal design plays a decisive role in the fabrication of dental restorations.Dentists and dental technicians depend on mechanical simulations of mandibular movement that are as accurate as possible,in particula...The occlusal design plays a decisive role in the fabrication of dental restorations.Dentists and dental technicians depend on mechanical simulations of mandibular movement that are as accurate as possible,in particular,to produce interference-free yet chewing-efficient dental restorations.For this,kinetic data must be available,i.e.,movements and deformations under the influence of forces and stresses.In the present study,so-called functional data were collected from healthy volunteers to provide consistent information for proper kinetics.For the latter purpose,biting and chewing forces,electrical muscle activity and jaw movements were registered synchronously,and individual magnetic resonance tomograms(MRI)were prepared.The acquired data were then added to a large complex finite element model of the complete masticatory system using the functional information obtained and individual anatomical geometries so that the kinetics of the chewing process and teeth grinding could be realistically simulated.This allows developing algorithms that optimize computer-aided manufacturing of dental prostheses close to occlusion.In this way,a failure-free function of the dental prosthesis can be guaranteed and its damage during usage can be reduced or prevented even including endosseous implants.展开更多
Numerical simulation of 3-D inner flow between Up-stream Pumping Mechanical Face Seals （UPMFS） faces was initially done by CFD software, which made the flow visualization come true. Simulation results directly disco...Numerical simulation of 3-D inner flow between Up-stream Pumping Mechanical Face Seals （UPMFS） faces was initially done by CFD software, which made the flow visualization come true. Simulation results directly discover the action of hydrodynamic lubrication, and by comparison with that of Conventional Mechanic Face Seals （CMFS）, the advantage over bigger bearing capability, less friction and much less leakage are explained clearly. Otherwise there are also some different ideas and results from precedent analysis and computational research results： dynamic and static pressure profiles can be obtained respectively instead of the analytic total pressure distribution only, pressure distribution is nonlinear, while always be solved as linear, lower pressure is observed at the area of inner diameter caused by the grooves, but its possible cavitations effects to the performance of UPMFS still need further study.展开更多
Recent studies on staggered labyrinth seals have focused on the effects of different parameters,such as the pressure ratio and rotational speed on the leakage flow rate.However,few investigations pay sufficient attent...Recent studies on staggered labyrinth seals have focused on the effects of different parameters,such as the pressure ratio and rotational speed on the leakage flow rate.However,few investigations pay sufficient attention to flow details and the sealing mechanism,which would be of practical importance in designing seals having higher performance.This paper establishes a theoretical model to study the seal mechanism,thus revealing that leakage is determined by the pressure ratio and geometric structure.Numerical simulation is implemented to illustrate details of the flow field within the seal structure.Viscous dissipation is used to quantitatively investigate the contribution that each location makes to the seal performance,revealing that orifices and stagnation points are the most important positions in the seal structure,generating the most dissipation.The orifice is carefully studied by using the theoretical model.Experiments for different pressure ratios are conducted and the results match well with those of the theoretical model and numerical simulation,verifying the theoretical model and analysis of the seal mechanism.Three new designs,based on a good understanding of the seal mechanism,are presented,with one reducing leakage by 24.5%.展开更多
In order to investigate the influence on shale gas well productivity caused by gas transport in nanometer- size pores, a mathematical model of multi-stage fractured horizontal wells in shale gas reservoirs is built, w...In order to investigate the influence on shale gas well productivity caused by gas transport in nanometer- size pores, a mathematical model of multi-stage fractured horizontal wells in shale gas reservoirs is built, which considers the influence of viscous flow, Knudsen diffusion, surface diffusion, and adsorption layer thickness. A dis- crete-fracture model is used to simplify the fracture mod- cling, and a finite element method is applied to solve the model. The numerical simulation results indicate that with a decrease in the intrinsic matrix permeability, Knudsen diffusion and surface diffusion contributions to production become large and cannot be ignored. The existence of an adsorption layer on the nanopore surfaces reduces the effective pore radius and the effective porosity, resulting in low production from fractured horizontal wells. With a decrease in the pore radius, considering the adsorption layer, the production reduction rate increases. When the pore radius is less than 10 nm, because of the combined impacts of Knudsen diffusion, surface diffusion, and adsorption layers, the production of multi-stage fractured horizontal wells increases with a decrease in the pore pressure. When the pore pressure is lower than 30 MPa, the rate of production increase becomes larger with a decrease in pore pressure.展开更多
In order to investigate the effect of space environmental factors on spacecraft materials, a ground-based simulation facility for space atomic oxygen（AO） irradiation was developed in our laboratory. Some Kapton film...In order to investigate the effect of space environmental factors on spacecraft materials, a ground-based simulation facility for space atomic oxygen（AO） irradiation was developed in our laboratory. Some Kapton film samples were subjected to AO beam generated by this facility. The Kapton films before and after AO exposure were analyzed comparatively using optical microscopy, scanning electronic microscopy, atomic force microscopy, high-precision microbalance, and X-ray photoelectron spectroscopy. The experimental results indicate that the transmittance of Kapton film will be reduced by AO irradiation notably, and its color deepens from pale yellow to brown. Surface roughness of the AO-treated sample is already increased obviously after AO irradiation for 5 hours, and exhibits a flannel-like appearance after 15 hours’ exposure in AO beam. The imide rings and benzene rings in kapton molecule are partially decomposed, and some new bonds form during AO irradiation. The mass loss of kapton film increases linearly with the increase of AO fluence, which is resulted from the formation of volatile products, such as CO, CO2 and NOx. The breakage in structure and degradation in properties of AO-treated Kapton film can be attributed to the integrated effect ofimpaction and oxidization of AO beam. The test results agree well with the space flight experimental data.展开更多
A series of 2D direct numerical simulations were performed with an accurate level set method for single drop impacts.The adopted ACLS method was validated to be efficient with perfect mass conservation in both normal ...A series of 2D direct numerical simulations were performed with an accurate level set method for single drop impacts.The adopted ACLS method was validated to be efficient with perfect mass conservation in both normal and oblique impacts.A square-root correction for neck bases was modified in accuracy as well as scope of applications.In addition,process of jet formation and evolution was studied to reveal internal dynamics in drop impacts.It's found that pressure gradient and vortex are coexisting and completive reasons for jet topology while the inclined angle has a significant effect on them.Mechanisms of jet formation and evolution are different in the front and back necks.With the help of PDF distribution and correction calculation,a compromise in the competition is observed.This work lays a solid foundation for further studies of dynamics in gas-liquid flows.展开更多
Magnetic properties and magnetization processes of Co nanowire arrays with various packing densities are investigated by means of object-oriented micromagnetic framework（OOMMF） software package with finite differenc...Magnetic properties and magnetization processes of Co nanowire arrays with various packing densities are investigated by means of object-oriented micromagnetic framework（OOMMF） software package with finite difference micromagnetic simulations. The packing density of nanowires is changed with the diameter, number of nanowires and center-to-center spacing between the wires. The magnetization reversal mechanism and squareness of the hysteresis loops of the nanowire arrays are very sensitive to the packing density of nanowires. Clear steps and plateaux on the demagnetization are visible,which turns out that dipolar interactions among the wires have a significant influence on switching field.展开更多
A large-scale large eddy simulation in high performance personal computer clusters is carried out to present unsteady mixing mechanism of film cooling and the development of films. Simulation cases include a single-ho...A large-scale large eddy simulation in high performance personal computer clusters is carried out to present unsteady mixing mechanism of film cooling and the development of films. Simulation cases include a single-hole plate with the inclined angle of 30° and blowing ratio of 0.5, and a single-row plate with hole-spacing of 1.5D and 2D （diameters of the hole）. According to the massive simulation results, some new unsteady phenomena of gas films are found. The vortex system is changed in different position with the development of film cooling with the time marching the process of a single-row plate film cooling. Due to the mutual interference effects including mutual exclusion, a certain periodic sloshing and mutual fusion, and the structures of a variety of vortices change between parallel gas films. Macroscopic flow structures and heat transfer behaviors are obtained based on 20 million grids and Reynolds number of 28600.展开更多
3 - chloro - 4 (dichloromethyl) - 5 - hydroxy - 2 [5H] - furanone (MX) formed during chlorination of water containing natural organic substances, is a very potent bacterial mutgen. Molecular mechanics calculations to ...3 - chloro - 4 (dichloromethyl) - 5 - hydroxy - 2 [5H] - furanone (MX) formed during chlorination of water containing natural organic substances, is a very potent bacterial mutgen. Molecular mechanics calculations to evaluate the conformation of structure, and to determine structure relationship properties are put forward. The investigations allow the correlation of molecular structures of MX with its properties, such as mass,partial charges, steric energy, frontier molecular orbital. The VRML molecular models have been investigated using Virtual Reality software. The spectral simulation of MX is illustrated. The principal aim is to develop an efficient method which control of MX.展开更多
文摘We study CO_(2) injection into a saline aquifer intersected by a tectonic fault using a coupled modeling approach to evaluate potential geomechanical risks.The simulation approach integrates the reservoir and mechanical simulators through a data transfer algorithm.MUFITS simulates non-isothermal multiphase flow in the reservoir,while FLAC3D calculates its mechanical equilibrium state.We accurately describe the tectonic fault,which consists of damage and core zones,and derive novel analytical closure relations governing the permeability alteration in the fault zone.We estimate the permeability of the activated fracture network in the damage zone and calculate the permeability of the main crack in the fault core,which opens on asperities due to slip.The coupled model is applied to simulate CO_(2) injection into synthetic and realistic reservoirs.In the synthetic reservoir model,we examine the impact of formation depth and initial tectonic stresses on geomechanical risks.Pronounced tectonic stresses lead to inelastic deformations in the fault zone.Regardless of the magnitude of tectonic stress,slip along the fault plane occurs,and the main crack in the fault core opens on asperities,causing CO_(2) leakage out of the storage aquifer.In the realistic reservoir model,we demonstrate that sufficiently high bottomhole pressure induces plastic deformations in the near-wellbore zone,interpreted as rock fracturing,without slippage along the fault plane.We perform a sensitivity analysis of the coupled model,varying the mechanical and flow properties of the storage layers and fault zone to assess fault stability and associated geomechanical risks.
基金co-funded by the National Natural Science Foundation of China (Grant No.U1262203)the National Science and Technology Special Grant (Grant No.2011ZX05009003)+1 种基金the Fundamental Research Funds for the Central Universities (Grant No.14CX06013A)the Chinese Scholarship Council (No.201406450019)
文摘In order to analyze the factors influencing sandstone mechanical compaction and its physical property evolution during compaction processes, simulation exper- iments on sandstone mechanical compaction were carried out with a self-designed diagenetic simulation system. The experimental materials were modem sediments from dif- ferent sources, and the experiments were conducted under high temperature and high pressure. Results of the exper- iments show a binary function relation between primary porosity and mean size as well as sorting. With increasing overburden pressure during mechanical compaction, the evolution of porosity and permeability can be divided into rapid compaction at an early stage and slow compaction at a late stage, and the dividing pressure value of the two stages is about 12 MPa and the corresponding depth is about 600 m. In the slow compaction stage, there is a good exponential relationship between porosity and overburden pressure, while a good power function relationship exists between permeability and overburden pressure. There is also a good exponential relationship between porosity and permeability. The influence of particle size on sandstone mechanical compaction is mainly reflected in the slowcompaction stage, and the influence of sorting is mainly reflected in the rapid compaction stage. Abnormally high pressure effectively inhibits sandstone mechanical com- paction, and its control on sandstone mechanical com- paction is stronger than that of particle size and sorting. The influence of burial time on sandstone mechanical compaction is mainly in the slow compaction stage, and the porosity reduction caused by compaction is mainly con- trolled by average particle size.
基金financially supported by the International Cooperation Project of Science and Technology Ministry of China(No.2015DFA71350)Important Science and Technology Programs of Fujian province(No.2012H0006)
文摘The main impurities in aluminum melt are hydrogen and Al_2O_3,which can deteriorate melt quality and materials performance.However,the diffusion process of H atoms in aluminum melt and the interactions among Al atoms,Al_2O_3 and hydrogen have been studied rarely.Molecular mechanics and dynamics simulations are employed to study the diffusion behaviors of different types of hydrogen,such as free H atoms,H atoms in H_2 and H^+ions in H_2O using COMPASS force field.Correspondingly,force field types h,h1h and h1o are used to describe different types of hydrogen which are labeled as H_h,H_(h1h) and H_(h1o).The results show that the adsorption areas are maximum for H_(h1o),followed by H_(h1h) and H_h.The diffusion ability of H_(h1o) is the strongest whereas H_h is hard to diffuse in aluminum melt because of the differences in radius and potential well depth of various types of hydrogen.Al_2O_3 cluster makes the Al atoms array disordered,creating the energy conditions for hydrogen diffusion in aluminum melt.Al_2O_3 improves the diffusion of H_h and H_(h1o),and constrains H_(h1h) which accumulates around it and forms gas porosities in aluminum.H_(h1o) is the most dispersive in aluminum melt,moreover,the distance of Al-H_(h1o) is shorter than that of Al-H_(h1h),both of which are detrimental to the removal of H_(h1o).The simulation results indicate that the gas porosities can be eliminated by the removal of Al_2O_3 inclusions,and the dispersive hydrogen can be removed by adsorption function of gas bubbles or molten fluxes.
基金Financial support for this work,provided by the National Natural Science Foundation of China(No.50974060)the State Safety Production Science and Technology Development Plan (No.06-396)
文摘At a fully mechanized working face of a coal mine as prototype,we investigated,by simulation,the flow field and dust distribution during the process of its isolation by a curtain of air,using the CFD software, Fluent.The results show that the air curtain installed on the shearer can effectively prevent the dust （especially the respirable dust）from diffusing into the work area of the operator,reducing the dust concentration on the side of the operator and greatly improving his working environment.The field application of the air curtain shows that the dust-isolation effect of an air curtain is quite noticeable.The isolation efficiency for respiratory dust is over 70%and,as well,it has good dust-isolation effect for nonrespiratory dust.The air curtain is a useful way to resolve the problem of dust-isolation at a fully mechanized working face.It has a practical background elsewhere with more extensive applications.
基金supports by the Project of Guangdong Provincial Science and Technology Program(2015B090922011)the 2017 GDAS’ Special Project of Science and Technology Development(2017GDASCX-0847)the Project of Guangdong Provincial Key Laboratory(2012A061400011)
文摘Local melting and the eutectic film and liquation crack formation mechanisms during friction spot weld- ing （FSpW） of Al-Zn-Mg-Cu alloy were studied by both experiment and finite element simulation. Their effects on mechanical properties of the joint were examined. When the welding heat input was high, the peak temperature in the stir zone was higher than the incipient melting temperature of the Al-Zn-Mg-Cu alloy. This resulted in local melting along the grain boundaries in this zone. In the retreating stage of the welding process, the formed liquid phase was driven by the flowing plastic material and redistributed as a ＂U-shaped＂ line in the stir zone. In the following cooling stage, this liquid phase transformed into eutectic films and liquation cracks. As a result, a new characteristic of＂U＂ line that consisted of eutectic films and liquation cracks is formed in the FSpWjoin. This ＂U＂ line was located in the high stress region when the FSpW joint was loaded, thus it was adverse to the mechanical properties of the FSpW joint. During tensile shear tests, the ＂U＂ line became a preferred crack propagation path, resulting in the occurrence of brittle fracture.
基金supported by the National Natural Science Foundation of China(Grant Nos.40906044,41076048 and 41376012)the Fundamental Research Funds for the Central Universities(Grant No.2011B05714)the Doctoral Starting up Foundation of College of Meteorology and Oceanography of the PLA University of Science and Technology,China
文摘The low salinity water lenses（LSWLes） in the expansion area of the Changjiang diluted water（CDW） exist in a certain period of time in some years. The impact of realistic river runoff, ocean currents and weather conditions need to be taken into account in the dynamical analysis of LSWL, which is in need of research. In this paper, the POM-σ-z model is used to set up the numerical model for the expansion of the CDW. Then LSWL in summer 1977 is simulated, and its dynamic mechanism driven by wind, tide, river runoff and the Taiwan Warm Current is also analyzed. The simulated results indicate that the isolated LSWL detaches itself from the CDW near the river mouth, and then moves towards the northeast region outside the Changjiang Estuary. Its maintaining period is from July 26 to August 11. Its formation and development is mainly driven by two factors. One is the strong southeasterly wind lasting for ten days. The other is the vertical tidal mixing during the transition from neap tide to spring tide.
文摘Using finite element technique of the plane-strain problem in solid-liquid two-phase medium, we Studied the char acteristics of 'field precursors' and 'focus precursors' of subsurface fluid and their spatial-temporal evolution in case of dip-slip earthquake. The results show that: ① the change of ground fluid is slow and the anomaly is not prominent in the early period which is of elastic accumulation and non-linear; ② dilatancy emerges and anomalyfocus mainly in the source region in the moderate period which is hardening and of local dilatancy. In the period the focus precursors emerge earlier than the field precursors; ③ anomalies spreed continuously in the source area and new regions with big anomaly emerge out of the source region in the middle-short period which is of large scale dilatancy.
基金Item Sponsored by National Basic Research Program of China(2010CB630801)
文摘The deformation and micro-voids formation mechanisms in ferrite / bainite（ F / B） multi-phase steel with the volume fraction of bainite less than 50% were studied by numerical simulation and experimental observation. The results show that the micro-strain concentrates at the soft / hard phase（ F / B） interface in the multi-phase steel,which should be correlated with the mechanism of incoordinate deformation. During the necking of the steel,the micro-voids initially form around the F / B interface,which also form in ferrite and bainite with the severe strain. The micro-voids in bainite are more dense and finer than those in ferrite. The failure mechanism of bainite is the coalescence of micro-voids,and the failure mechanism of ferrite is the growth and tearing of micro-voids. Due to the different failure mechanisms of ferrite and bainite,a suitable part of soft phase would be beneficial to the capability of anti-failure of F / B multi-phase steel during the ductile fracture.
基金Supported by the Natural Science Fund for Distinguished Young Scholars of Hebei Province under Grant Nos C2015202340 and C2013202244the Fund for Outstanding Talents of Hebei Province under Grant No C201400305+3 种基金the National Natural Science Fund of China under Grant Nos 11247010,11175055,11475053,11347017,31600594,31400711 and 11647121the Fund for the Science and Technology Program of Higher Education Institutions of Hebei Province under Grant No QN2016113the Scientific Innovation Grant for Excellent Young Scientists of Hebei University of Technology under Grant No 2015010the Natural Science Foundation of Hebei Province under Grant No C2017202208
文摘Calmodulin （CAM） is involved in the regulation of a variety of cellular signaling pathways. To accomplish its physiological functions, CaM binds with Ca2＋ at its EF-hand Ca2＋ binding sites which induce the conformational switching of CaM. However, the molecular mechanism by which Ca2＋ binds with CaM and induces conformational switching is still obscure. Here we combine molecular dynamics with targeted molecular dynamics simulation and achieve the state-transition pathway of CaM. Our data show that Ca2＋ binding speeds up the conformational transition of CaM by weakening the interactions which stabilize the closed state. It spends about 6.5 ns and 5.25 ns for transition from closed state to open state for apo and holo CaM, respectively. Regarding the contribution of two EF-hands, our data indicate that the first EF-hand triggers the conformational transition and is followed by the second one. We determine that there are two interaction networks which contribute to stabilize the closed and open states, respectively.
基金Funding support from NSERC of Canadaa research fellowship at Department of Physics and Astronomy,University of British Columbia are acknowledged
文摘A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational technique of quantum tomography, which applies broadly to cases of mixed states, nonunitary evolution, and infinite dimensional systems. The simulation provides an intriguing classical picture to probe quantum phenomena, namely, a coherent quantum dynamics can be viewed as a globally constrained classical Hamiltonian dynamics of a collection of coupled particles or strings. Efficiency analysis reveals a fundamental difference between the locality in real space and locality in Hilbert space, the latter enables efficient strong analog classical simulations. Examples are also studied to highlight the differences and gaps among various simulation methods.
文摘Convection and its ensuing severe weather, such as heavy rainfall, hail, tornado, and high wind, have significant im- pacts on our society and economy （e.g., Cao et al., 2004; Fritsch and Carbone, 2004; Verbout et al., 2006; Ashley and Black, 2008; Cao, 2008; Cao and Ma, 2009; Zhang et al., 2014）. Due to its localized and transient nature, the initiation of convection or convective initiation remains one of the least understood aspects of convection in the scientific communi- ties, and it is a significant challenge to accurately predict the exact timing and location of convective initiation （e.g., Cai et al., 2006; Wilson and Roberts, 2006; Xue and Martin, 2006; Cao and Zhang, 2016）.
基金We acknowledge the support of the German Research Foundation Grant Nos.SCHM 2456/5-1 and SCHW 307/30-1together with funding for the project initial phase from the German Federal Ministry for Economy and Technology Grant No.KF 2875101WM.(Bundesministerium für Wirtschaft und Technologie)according to a decision of the German Bundestag.
文摘The occlusal design plays a decisive role in the fabrication of dental restorations.Dentists and dental technicians depend on mechanical simulations of mandibular movement that are as accurate as possible,in particular,to produce interference-free yet chewing-efficient dental restorations.For this,kinetic data must be available,i.e.,movements and deformations under the influence of forces and stresses.In the present study,so-called functional data were collected from healthy volunteers to provide consistent information for proper kinetics.For the latter purpose,biting and chewing forces,electrical muscle activity and jaw movements were registered synchronously,and individual magnetic resonance tomograms(MRI)were prepared.The acquired data were then added to a large complex finite element model of the complete masticatory system using the functional information obtained and individual anatomical geometries so that the kinetics of the chewing process and teeth grinding could be realistically simulated.This allows developing algorithms that optimize computer-aided manufacturing of dental prostheses close to occlusion.In this way,a failure-free function of the dental prosthesis can be guaranteed and its damage during usage can be reduced or prevented even including endosseous implants.
基金Project supported by the National Natural Science Foundation of China (Grant No:50475122).
文摘Numerical simulation of 3-D inner flow between Up-stream Pumping Mechanical Face Seals （UPMFS） faces was initially done by CFD software, which made the flow visualization come true. Simulation results directly discover the action of hydrodynamic lubrication, and by comparison with that of Conventional Mechanic Face Seals （CMFS）, the advantage over bigger bearing capability, less friction and much less leakage are explained clearly. Otherwise there are also some different ideas and results from precedent analysis and computational research results： dynamic and static pressure profiles can be obtained respectively instead of the analytic total pressure distribution only, pressure distribution is nonlinear, while always be solved as linear, lower pressure is observed at the area of inner diameter caused by the grooves, but its possible cavitations effects to the performance of UPMFS still need further study.
基金Supported by National Natural Science Foundation of China(Grant No.51136003)the support provided by Doctor HUANG Weifeng,Doctor LI Yongjian,and Professor WANG Yuming at Department,of Mechanical Engineering, Tsinghua University,China,in establishing the test rig for the labyrinth seal
文摘Recent studies on staggered labyrinth seals have focused on the effects of different parameters,such as the pressure ratio and rotational speed on the leakage flow rate.However,few investigations pay sufficient attention to flow details and the sealing mechanism,which would be of practical importance in designing seals having higher performance.This paper establishes a theoretical model to study the seal mechanism,thus revealing that leakage is determined by the pressure ratio and geometric structure.Numerical simulation is implemented to illustrate details of the flow field within the seal structure.Viscous dissipation is used to quantitatively investigate the contribution that each location makes to the seal performance,revealing that orifices and stagnation points are the most important positions in the seal structure,generating the most dissipation.The orifice is carefully studied by using the theoretical model.Experiments for different pressure ratios are conducted and the results match well with those of the theoretical model and numerical simulation,verifying the theoretical model and analysis of the seal mechanism.Three new designs,based on a good understanding of the seal mechanism,are presented,with one reducing leakage by 24.5%.
基金supported by the National Natural Science Foundation of China (No. 51234007, No. 51490654, No. 51504276, and No. 51504277)Program for Changjiang Scholars and Innovative Research Team in University (IRT1294)+3 种基金the Natural Science Foundation of Shandong Province (ZR2014EL016, ZR2014EEP018)China Postdoctoral Science Foundation (No. 2014M551989 and No. 2015T80762)the Major Programs of Ministry of Education of China (No. 311009)Introducing Talents of Discipline to Universities (B08028)
文摘In order to investigate the influence on shale gas well productivity caused by gas transport in nanometer- size pores, a mathematical model of multi-stage fractured horizontal wells in shale gas reservoirs is built, which considers the influence of viscous flow, Knudsen diffusion, surface diffusion, and adsorption layer thickness. A dis- crete-fracture model is used to simplify the fracture mod- cling, and a finite element method is applied to solve the model. The numerical simulation results indicate that with a decrease in the intrinsic matrix permeability, Knudsen diffusion and surface diffusion contributions to production become large and cannot be ignored. The existence of an adsorption layer on the nanopore surfaces reduces the effective pore radius and the effective porosity, resulting in low production from fractured horizontal wells. With a decrease in the pore radius, considering the adsorption layer, the production reduction rate increases. When the pore radius is less than 10 nm, because of the combined impacts of Knudsen diffusion, surface diffusion, and adsorption layers, the production of multi-stage fractured horizontal wells increases with a decrease in the pore pressure. When the pore pressure is lower than 30 MPa, the rate of production increase becomes larger with a decrease in pore pressure.
基金Funded by the Distinguished Young Scholars of NSFC(51125023)the Major State Basic Research Development Programof China(2011CB013405)the Natural Science Foundation of Beijing City(3120001)
文摘In order to investigate the effect of space environmental factors on spacecraft materials, a ground-based simulation facility for space atomic oxygen（AO） irradiation was developed in our laboratory. Some Kapton film samples were subjected to AO beam generated by this facility. The Kapton films before and after AO exposure were analyzed comparatively using optical microscopy, scanning electronic microscopy, atomic force microscopy, high-precision microbalance, and X-ray photoelectron spectroscopy. The experimental results indicate that the transmittance of Kapton film will be reduced by AO irradiation notably, and its color deepens from pale yellow to brown. Surface roughness of the AO-treated sample is already increased obviously after AO irradiation for 5 hours, and exhibits a flannel-like appearance after 15 hours’ exposure in AO beam. The imide rings and benzene rings in kapton molecule are partially decomposed, and some new bonds form during AO irradiation. The mass loss of kapton film increases linearly with the increase of AO fluence, which is resulted from the formation of volatile products, such as CO, CO2 and NOx. The breakage in structure and degradation in properties of AO-treated Kapton film can be attributed to the integrated effect ofimpaction and oxidization of AO beam. The test results agree well with the space flight experimental data.
基金Supported by the National Natural Science Foundation of China(91541202,51276163)
文摘A series of 2D direct numerical simulations were performed with an accurate level set method for single drop impacts.The adopted ACLS method was validated to be efficient with perfect mass conservation in both normal and oblique impacts.A square-root correction for neck bases was modified in accuracy as well as scope of applications.In addition,process of jet formation and evolution was studied to reveal internal dynamics in drop impacts.It's found that pressure gradient and vortex are coexisting and completive reasons for jet topology while the inclined angle has a significant effect on them.Mechanisms of jet formation and evolution are different in the front and back necks.With the help of PDF distribution and correction calculation,a compromise in the competition is observed.This work lays a solid foundation for further studies of dynamics in gas-liquid flows.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51401001,51371002,and 51331003)the International S&T Cooperation Program of China(Grant No.2015DFG52020)
文摘Magnetic properties and magnetization processes of Co nanowire arrays with various packing densities are investigated by means of object-oriented micromagnetic framework（OOMMF） software package with finite difference micromagnetic simulations. The packing density of nanowires is changed with the diameter, number of nanowires and center-to-center spacing between the wires. The magnetization reversal mechanism and squareness of the hysteresis loops of the nanowire arrays are very sensitive to the packing density of nanowires. Clear steps and plateaux on the demagnetization are visible,which turns out that dipolar interactions among the wires have a significant influence on switching field.
基金partially supported by the National Science and Technology Major Project(2013CB035700)the National Natural Science Foundation of China(11672225,11511130053)the Funds for the Central Universities(xjj2014135)
文摘A large-scale large eddy simulation in high performance personal computer clusters is carried out to present unsteady mixing mechanism of film cooling and the development of films. Simulation cases include a single-hole plate with the inclined angle of 30° and blowing ratio of 0.5, and a single-row plate with hole-spacing of 1.5D and 2D （diameters of the hole）. According to the massive simulation results, some new unsteady phenomena of gas films are found. The vortex system is changed in different position with the development of film cooling with the time marching the process of a single-row plate film cooling. Due to the mutual interference effects including mutual exclusion, a certain periodic sloshing and mutual fusion, and the structures of a variety of vortices change between parallel gas films. Macroscopic flow structures and heat transfer behaviors are obtained based on 20 million grids and Reynolds number of 28600.
基金Sponsored by the Heilongjiang Province Natural Science Foundation(Grant No. E0204)
文摘3 - chloro - 4 (dichloromethyl) - 5 - hydroxy - 2 [5H] - furanone (MX) formed during chlorination of water containing natural organic substances, is a very potent bacterial mutgen. Molecular mechanics calculations to evaluate the conformation of structure, and to determine structure relationship properties are put forward. The investigations allow the correlation of molecular structures of MX with its properties, such as mass,partial charges, steric energy, frontier molecular orbital. The VRML molecular models have been investigated using Virtual Reality software. The spectral simulation of MX is illustrated. The principal aim is to develop an efficient method which control of MX.
