Calcium aluminate clinkers doped with Na2O were synthesized using analytically pure reagents CaCO3, Al2O3, SiO2 and Na2CO3. The effects of Na2O-doping on the formation mechanism of calcium aluminate compounds and the ...Calcium aluminate clinkers doped with Na2O were synthesized using analytically pure reagents CaCO3, Al2O3, SiO2 and Na2CO3. The effects of Na2O-doping on the formation mechanism of calcium aluminate compounds and the crystal property of 12CaO·7Al2O3 (C12A7) cell were studied. The results show that the minerals containing Na2O mainly include 2Na2O·3CaO·5Al2O3 and Na2O·Al2O3, when the Na2O content in clinkers is less than 4.26% (mass fraction). The rest of Na2O is mainly doped in 12CaO·7Al2O3, which results in the decrease of the crystallinity of 12CaO·7Al2O3. The crystallinity of 2Na2O·3CaO·5Al2O3 is also inversely proportional to the Na2O content in clinkers. The formation processes of 2Na2O·3CaO·5Al2O3 and 12CaO·7Al2O3 can be divided into two ways, which are the direct reactions of raw materials and the transformation of CaO·Al2O3, respectively. The simulation shows that the covalency of O-Na bond in Na2O-doped 12CaO·7Al2O3 cell is weaker than those of O-Ca and O-Al bonds. The free energy of the unit cell increases because of Na2O doping, which results in the improvement of chemical activity of 12CaO·7Al2O3. The leaching efficiency of Al2O3 in clinker is improved from 34.81% to 88.17% when the Na2O content in clinkers increases from 0 to 4.26%.展开更多
Direct viscosification of CO_(2) offers promising alternative for mobility control and reduction in residual brine saturation,thus to improve the CO_(2) trapping in saline aquifers.Hydrocarbon oligomers,recognized for...Direct viscosification of CO_(2) offers promising alternative for mobility control and reduction in residual brine saturation,thus to improve the CO_(2) trapping in saline aquifers.Hydrocarbon oligomers,recognized for their exceptional properties,are considered as one of the most promising viscosifiers in displacement of brine-saturated porous media.However,the molecular-level mechanisms governing the solubility and viscosification of hydrocarbon oligomers in scCO_(2) remain poorly understood.In this study,we employ coarse-grained molecular models to advance our understanding in the effects of molecular structure of hydrocarbon oligomers on their solubility in scCO_(2).The coarse-grained models of five hydrocarbon oligomers with different numbers of methyl-branch(n-C32,P1D-2,P1D-3,P1D-6 and squalane)are established to investigate their effects on solubilization in scCO_(2).We demonstrate that the number of methyl groups has a monotonic correlation with the solubility of hydrocarbon oligomers when the molecular weights of oligomers are comparable.The radial distribution function reveals nC32,P1D and squalane are uniformly dispersed with separation distances of approximately 1.0–2.0 nm.The interaction energy between hydrocarbon oligomers and CO_(2) shows that the number of methylbranch in hydrocarbon oligomers can directly influence their solubility in scCO_(2).Molecular simulation results demonstrate that the interaction distances between the methyl-branch and CO_(2) are smaller than those of other molecular fragments.There are approximately 20%more CO_(2) molecules interacting with methyl-branch than with other parts.This work sets the stage for our future molecular dynamics study in viscosification by hydrocarbon oligomers with different branching length and interfacial phenomena in multiphase systems.展开更多
In order to predict the effects of cavitation on a hydrofoil, the state equations of the cavitation model were combined with a linear viscous turbulent method for mixed fluids in the computational fluid dynamics (CFD)...In order to predict the effects of cavitation on a hydrofoil, the state equations of the cavitation model were combined with a linear viscous turbulent method for mixed fluids in the computational fluid dynamics (CFD) software FLUENT to simulate steady cavitating flow. At a fixed attack angle, pressure distributions and volume fractions of vapor at different cavitation numbers were simulated, and the results on foil sections agreed well with experimental data. In addition, at the various cavitation numbers, the vapor fractions at different attack angles were also predicted. The vapor region moved towards the front of the airfoil and the length of the cavity grew with increased attack angle. The results show that this method of applying FLUENT to simulate cavitation is reliable.展开更多
The construction and operation of sulfur-containing gas storage are often more difficult than a non-sulfur storage facility due to the need to prevent environmental contamination from H_(2)S leaks,as well as the corro...The construction and operation of sulfur-containing gas storage are often more difficult than a non-sulfur storage facility due to the need to prevent environmental contamination from H_(2)S leaks,as well as the corrosive effects of H_(2)S on production facilities.Rapid elutriation of H_(2)S from the reservoir during the construction of the gas storage is an effective way to avoid these problems.However,the existing H_(2)S elutriation method has low efficiency and high economic cost,which limits the development of reconstructed gas storage of sulfur-containing gas reservoirs.To improve the efficiency of H_(2)S elutriation in sulfur-containing gas reservoirs and enhance the economic benefits,a numerical simulation model of multiphase flow components was established to study the migration law of H_(2)S in the multi-cycle operation of gas storage.Based on the H_(2)S migrate law,the displacement H_(2)S elutriation method was developed,and the elutriation mechanism and elutriation efficiency of the two methods were compared and analyzed.In addition,the main controlling factors affecting the H_(2)S elutriation efficiency were investigated,and the H_(2)S elutriation scheme of H gas storage was optimized.The results indicate that H_(2)S migrates between near-well and far-well regions under pressure differentials.The traditional H_(2)S elutriation method relies on concentration gradient diffusion,whereas the displacement elutriation approach leverages pressure differentials with higher H_(2)S elutriation efficiency.For the displacement elutriation method,higher reservoir permeability enhances the peak-shaving capacity of the gas storage but has a minor impact on H_(2)S elutriation when the formation permeability is between 30 and 100 mD.The elutriation efficiency is significantly higher when wells are drilled in the high structural parts of the reservoir compared to the low structural parts.Longer displacement elutriation time within a cycle improves H_(2)S elutriation efficiency but reduces the working gas volume of the storage.Therefore,the optimal displacement time for H gas storage is 60 days.An optimized H_(2)S elutriation scheme enabled the working gas to meet the national first-class natural gas standard within 10 cycles.This study elucidates H_(2)S migration patterns,H_(2)S elutriation mechanisms,and key influence factors on H_(2)S elutriation efficiency,offering valuable technical insights for sour gas storage operations.展开更多
The mechanical properties of Mg–Al–Ca alloys are significantly affected by their Laves phases,including the Al_(2)Ca phase.Laves phases are generally considered to be brittle and have a detrimental effect on the duc...The mechanical properties of Mg–Al–Ca alloys are significantly affected by their Laves phases,including the Al_(2)Ca phase.Laves phases are generally considered to be brittle and have a detrimental effect on the ductility of Mg.Recently,the Al_(2)Ca phase was shown to undergo plastic deformation in a dilute Mg-Al-Ca alloy to increase the ductility and work hardening of the alloy.In the present study,we investigated the extent to which the deformation of Al_(2)Ca is driven by dislocations in the Mg matrix by simulating the interactions between the basal edge dislocations and Al_(2)Ca particles.In particular,the effects of the interparticle spacing,particle orientation,and particle size were considered.Shearing of small particles and dislocation cross-slips near large particles were observed.Both events contribute to strengthening,and accommodate to plasticity.The shear resistance of the dislocation to bypass the particles increased as the particle size increased.The critical resolved shear stress(CRSS)for activating dislocations and stacking faults was easier to reach for small Al_(2)Ca particles owing to the higher local shear stress,which is consistent with the experimental observations.Overall,this work elucidates the driving force for Al_(2)Ca particles in Mg–Al–Ca alloys to undergo plastic deformation.展开更多
An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly hand...An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly handle the case of the fast moving targets in high squint geometry.As for the issue,the analytical expression for the two Dimensional(2-D)signal spectrum of moving targets is derived and a fast raw echo simulation method is proposed in this study.The proposed simulator can accommodate the moving targets in the high squint geometry,whose processing steps of the simulation are given in detail and its computational complexity is analyzed.The simulation data for static and moving targets are processed and analyzed,and the results are given to validate the effectiveness of the proposed approach.展开更多
The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments...The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments and molecular dynamics(MD)simulations,this study investigates the microscopic enhanced oil recovery(EOR)mechanisms underlying residual oil removal using hybrid CO_(2) thermal systems.Based on the experimental models for the occurrence of heavy oil,this study evaluates the performance of hybrid CO_(2) thermal systems under various conditions using MD simulations.The results demonstrate that introducing CO_(2) molecules into heavy oil can effectively penetrate and decompose dense aggregates that are originally formed on hydrophobic surfaces.A stable miscible hybrid CO_(2) thermal system,with a high effective distribution ratio of CO_(2),proficiently reduces the interaction energies between heavy oil and rock surfaces,as well as within heavy oil.A visualization analysis of the interactions reveals that strong van der Waals(vdW)attractions occur between CO_(2) and heavy oil molecules,effectively promoting the decomposition and swelling of heavy oil.This unlocks the residual oil on the hydrophobic surfaces.Considering the impacts of temperature and CO_(2) concentration,an optimal gas-to-steam injection ratio(here,the CO_(2):steam ratio)ranging between 1:6 and 1:9 is recommended.This study examines the microscopic mechanisms underlying the hybrid CO_(2) thermal technique at a molecular scale,providing a significant theoretical guide for its expanded application in EOR.展开更多
Drilling and blasting,characterized by their efficiency,ubiquity,and cost-effectiveness,have emerged as predominant techniques in rock excavation;however,they are accompanied by enormous destructive power.Accurately c...Drilling and blasting,characterized by their efficiency,ubiquity,and cost-effectiveness,have emerged as predominant techniques in rock excavation;however,they are accompanied by enormous destructive power.Accurately controlling the blasting energy and achieving the directional fracture of a rock mass have become common problems in the field.A two-dimensional blasting(2D blasting)technique was proposed that utilizes the characteristic that the tensile strength of a rock mass is significantly lower than its compressive strength.After blasting,only a 2D crack surface is generated along the predetermined direction,eliminating the damage to the reserved rock mass caused by conventional blasting.However,the interior of a natural rock mass is a"black box",and the process of crack propagation is difficult to capture,resulting in an unclear 2D blasting mechanism.To this end,a single-hole polymethyl methacrylate(PMMA)test piece was used to conduct a 2D blasting experiment with the help of a high-speed camera to capture the dynamic crack propagation process and the digital image correlation(DIC)method to analyze the evolution law of surface strain on the test piece.On this basis,a three-dimensional(3D)finite element model was established based on the progressive failure theory to simulate the stress,strain,damage,and displacement evolution process of the model under 2D blasting.The simulation results were consistent with the experimental results.The research results reveal the 2D blasting mechanism and provide theoretical support for the application of 2D blasting technology in the field of rock excavation.展开更多
Till now, there have been lots of researches on numerical simulation of vortex-induced vibration. Acceptable results have been obtained for fixed cylinders with low Reynolds number. However, for responses of 2-DOF vor...Till now, there have been lots of researches on numerical simulation of vortex-induced vibration. Acceptable results have been obtained for fixed cylinders with low Reynolds number. However, for responses of 2-DOF vortex-induced vibration with low mass ratio, the accuracy is not satisfactory, especially for the maximum amplitudes. In Jauvtis and Williamson＇s work, the maximum amplitude of the cylinder with low mass ratio m＊=2.6 can reach as large as 1.5D to be called as the ＂super-upper branch＂, but from current literatures, few simulation results can achieve such value, even fail to capture the upper branch. Besides, it is found that the amplitude decays too fast in the lower branch with the RANS-based turbulence model. The reason is likely to be the defects of the turbulence model itself in the prediction of unsteady separated flows as well as the unreasonable setting of the numerical simulation parameters. Aiming at above issues, a modified turbulence model is proposed in this paper, and the effect of the acceleration of flow field on the response of vortex-induced vibration is studied based on OpenFOAM. By analyzing the responses of amplitude, phase and trajectory, frequency and vortex mode, it is proved that the vortex-induced vibration can be predicted accurately with the modified turbulence model under appropriate flow field acceleration.展开更多
Neutron well logging,using instruments equipped with neutron source and detectors(e.g.,^(3)He-tubes,Nal,BGO),plays a key role in lithological differentiation,porosity determination,and fluid property evaluation in the...Neutron well logging,using instruments equipped with neutron source and detectors(e.g.,^(3)He-tubes,Nal,BGO),plays a key role in lithological differentiation,porosity determination,and fluid property evaluation in the petroleum industry.The growing trend of multifu nctional neutron well logging,which enables simultaneous extraction of multiple reservoir characteristics,requiring high-performance detectors capable of withstanding high-temperature downhole conditions,limited space,and instrument vibrations,while also detecting multiple particle types.The Cs_(2)LiYCl_(6):Ce^(3+)(CLYC)elpasolite scintillator demonstrates excellent temperature resistance and detection efficiency,making it become a promising candidate for leading the development of the novel neutron-based double-particle logging technology.This study employed Monte Carlo simulations to generate equivalent gamma spectra and proposed a pulse shape discrimination simulation method based on theoretical analysis and probabilistic iteration.The performance of CLYC was compared to that of common detectors in terms of physical properties and detection efficiency.A double-particle pulsed neutron detection system for porosity determination was established,based on the count ratio of equivalent gamma rays from the range of 2.95-3.42 MeVee energy bins.Results showed that CLYC can effectively replace ^(3)He-tubes for porosity measurement,providing consistent responses.This study offers numerical simulation support for the design of future neutron well logging tools and the application of double-particle detectors in logging systems.展开更多
Interdigitated back contact（IBC） solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrys...Interdigitated back contact（IBC） solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrystalline silicon/SiO_2 stack structure as front surface field to passivate the front surface of IBC solar cells is proposed. The passivation quality of this structure is investigated by two dimensional simulations. Polycrystalline silicon layer and SiO_2 layer are optimized to get the best passivation quality of the IBC solar cell. Simulation results indicate that the doping level of polycrystalline silicon should be high enough to allow a very thin polycrystalline silicon layer to ensure an effective passivation and small optical losses at the same time. The thickness of SiO_2 should be neither too thin nor too thick, and the optimal thickness is 1.2 nm.Furthermore, the lateral transport properties of electrons are investigated, and the simulation results indicate that a high doping level and conductivity of polycrystalline silicon can improve the lateral transportation of electrons and then the cell performance.展开更多
In this paper a new approach for PBL simulation, the non-local closure scheme based on the transient turbulence theory has been used. It was set up as an alternative to local closure schemes which physical concept is ...In this paper a new approach for PBL simulation, the non-local closure scheme based on the transient turbulence theory has been used. It was set up as an alternative to local closure schemes which physical concept is reasonable and distinct. A 2-D non-local closure model was developed in order to study the PBL structure and simulatesome interesting atmospheric processes over non-ulliform underlying surface, especially under the convective and unique weather conditions, such as sea-land circulation and the TIBL structure. The modelled results show good agreement with field measurement.展开更多
Smoothed Particle Hydrodynamics (SPH) is a Lagrangian meshless particle method. However, its low accuracy of kernel approximation when particles are distributed disorderly or located near the boundary is an obstacle s...Smoothed Particle Hydrodynamics (SPH) is a Lagrangian meshless particle method. However, its low accuracy of kernel approximation when particles are distributed disorderly or located near the boundary is an obstacle standing in the way of its wide application. Adopting the Taylor series expansion method and solving the integral equation matrix, the second order kernel approximation method can be obtained, namely K2_SPH, which is discussed in this paper. This method is similar to the Finite Particle Method. With the improvement of kernel approximation, some numerical techniques should be adopted for different types of boundaries, such as a free surface boundary and solid boundary, which are two key numerical techniques of K2_SPH for water wave simulation. This paper gives some numerical results of two dimensional water wave simulations involving standing wave and sloshing tank problems by using K2_SPH. From the comparison of simulation results, the K2_SPH method is more reliable than standard SPH.展开更多
Molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-per...Molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-period cosin field. The maximum applied field strength was 10^8 V/m , the maximum frequency of the alternating current field and that of the positive-half-period cosine field was 10^12 Hz . The simulation revealed that the field type and field strength act on the population of the molecular configuration. In the strong direct current field, all trans forms converted completely into gauche forms. Order parameter and the correlation of the system torsion angle were also investigated. The results suggested that these two dynamical parameters depended also on the field type and the field strength. The maximum of order parameter was found to be at 0.6in the strong direct current field.展开更多
Considering phase changes associated with a high-temperature molten material cooled down from the outside,this work presents an improvement of the modelling and the numerical simulation of such processes for an applic...Considering phase changes associated with a high-temperature molten material cooled down from the outside,this work presents an improvement of the modelling and the numerical simulation of such processes for an application pertaining to the safety of light water nuclear reactors.Postulating a core meltdown accident,the behaviour of the core melt(aka corium)into a steel vessel is of tremendous importance when evaluating the vessel integrity.Evaluating correctly the heat fluxes requires the numerical simulation of the interaction between the liquid material and its solid counterpart which forms during the solidification process,but also may melt back.To simulate this configuration,encoun-tered in various industrial applications,one considers a bi-phase model constituted by a liquid phase in contact and interaction with its solid phase.The liquid phase may solidify in presence of low energetic source,while the solid phase may melt due to an intense heat flux from the high-temperature liquid.In the frame of the in-house legacy code,several simplifying assumptions(0D multi-layer discretization,instantaneous heat transfer via a quadratic temperature profile in solids)are made for the modelling of such phase changes.In the present work,these shortcomings are illustrated and further overcome by solving a 2D heat conduction model in the solid by a mixed Raviart-Thomas finite element method coupled to the liquid phase due to heat and mass exchanges through Stefan condition.The liquid phase is modeled with a 0D multi-layer approach.The 0D-liquid and 2D-solid mod-els are coupled by a Stefan like phase change interface model.Several sanity checks are performed to assess the validity of the approach on 1D and 2D academical configurations for which exact or reference solutions are available.Then more advanced situations(genu-ine multi-dimensional phase changes and an"industrial-like scenario")are simulated to verify the appropriate behavior of the obtained coupled simulation scheme.展开更多
A three-dimensional （3-D） modified cellular automaton （MCA） method was developed for simulating the dendrite morphology of cubic system alloys. Two-dimensional （2-D） equations of growth velocities of the dendrit...A three-dimensional （3-D） modified cellular automaton （MCA） method was developed for simulating the dendrite morphology of cubic system alloys. Two-dimensional （2-D） equations of growth velocities of the dendrite tip, interface curvature and anisotropy of the surface energy were extended to 3-D system in the model. Therefore, the model was able to describe the morphology evolution of 3-D dendrites. Then, the model was applied to simulate the mechanism of spacing adjustment for 3-D columnar dendrite growth, and the competitive growth of columnar dendrites with different preferred growth orientations under constant temperature gradient and pulling velocity. Directional solidification experiments of NH4Cl-H2O transparent alloy were performed. It was found that the simulated results compared well with the experimental results. Therefore, the model was reliable for simulating the 3-D dendrite growth of cubic system alloys.展开更多
AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered i...AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.展开更多
基金Projects(51174054,51104041,51374065)supported by the National Natural Science Foundation of ChinaProject(N130402010)supported by the Fundamental Research Funds for the Central Universities of China
文摘Calcium aluminate clinkers doped with Na2O were synthesized using analytically pure reagents CaCO3, Al2O3, SiO2 and Na2CO3. The effects of Na2O-doping on the formation mechanism of calcium aluminate compounds and the crystal property of 12CaO·7Al2O3 (C12A7) cell were studied. The results show that the minerals containing Na2O mainly include 2Na2O·3CaO·5Al2O3 and Na2O·Al2O3, when the Na2O content in clinkers is less than 4.26% (mass fraction). The rest of Na2O is mainly doped in 12CaO·7Al2O3, which results in the decrease of the crystallinity of 12CaO·7Al2O3. The crystallinity of 2Na2O·3CaO·5Al2O3 is also inversely proportional to the Na2O content in clinkers. The formation processes of 2Na2O·3CaO·5Al2O3 and 12CaO·7Al2O3 can be divided into two ways, which are the direct reactions of raw materials and the transformation of CaO·Al2O3, respectively. The simulation shows that the covalency of O-Na bond in Na2O-doped 12CaO·7Al2O3 cell is weaker than those of O-Ca and O-Al bonds. The free energy of the unit cell increases because of Na2O doping, which results in the improvement of chemical activity of 12CaO·7Al2O3. The leaching efficiency of Al2O3 in clinker is improved from 34.81% to 88.17% when the Na2O content in clinkers increases from 0 to 4.26%.
基金the financial support and funding provided by the National Natural Science Foundation of China(Youth Talent Program,Key Special Project,Grant No.52341401 and Distinguished Scholar Program with a Grant No.52425402)High-level Start-up Funding from Peking University Shenzhen Graduate School,Shenzhen Science and Technology Foundation(Grant No.JCYJ20230807120807016)+2 种基金High-level Startup Funding from China University of Petroleum-Beijing(Grant No.2462024YJRC033)the China Postdoctoral Science(CPS)Foundation(Certificate No.2024M750106)the Postdoctoral Fellowship Program of CPS(Grant No.GZC20240051)。
文摘Direct viscosification of CO_(2) offers promising alternative for mobility control and reduction in residual brine saturation,thus to improve the CO_(2) trapping in saline aquifers.Hydrocarbon oligomers,recognized for their exceptional properties,are considered as one of the most promising viscosifiers in displacement of brine-saturated porous media.However,the molecular-level mechanisms governing the solubility and viscosification of hydrocarbon oligomers in scCO_(2) remain poorly understood.In this study,we employ coarse-grained molecular models to advance our understanding in the effects of molecular structure of hydrocarbon oligomers on their solubility in scCO_(2).The coarse-grained models of five hydrocarbon oligomers with different numbers of methyl-branch(n-C32,P1D-2,P1D-3,P1D-6 and squalane)are established to investigate their effects on solubilization in scCO_(2).We demonstrate that the number of methyl groups has a monotonic correlation with the solubility of hydrocarbon oligomers when the molecular weights of oligomers are comparable.The radial distribution function reveals nC32,P1D and squalane are uniformly dispersed with separation distances of approximately 1.0–2.0 nm.The interaction energy between hydrocarbon oligomers and CO_(2) shows that the number of methylbranch in hydrocarbon oligomers can directly influence their solubility in scCO_(2).Molecular simulation results demonstrate that the interaction distances between the methyl-branch and CO_(2) are smaller than those of other molecular fragments.There are approximately 20%more CO_(2) molecules interacting with methyl-branch than with other parts.This work sets the stage for our future molecular dynamics study in viscosification by hydrocarbon oligomers with different branching length and interfacial phenomena in multiphase systems.
文摘In order to predict the effects of cavitation on a hydrofoil, the state equations of the cavitation model were combined with a linear viscous turbulent method for mixed fluids in the computational fluid dynamics (CFD) software FLUENT to simulate steady cavitating flow. At a fixed attack angle, pressure distributions and volume fractions of vapor at different cavitation numbers were simulated, and the results on foil sections agreed well with experimental data. In addition, at the various cavitation numbers, the vapor fractions at different attack angles were also predicted. The vapor region moved towards the front of the airfoil and the length of the cavity grew with increased attack angle. The results show that this method of applying FLUENT to simulate cavitation is reliable.
基金supported by the Science and Technology Research Program of Chongqing Municipal Education Commission(KJQN202401501,KJZD-M202401501).
文摘The construction and operation of sulfur-containing gas storage are often more difficult than a non-sulfur storage facility due to the need to prevent environmental contamination from H_(2)S leaks,as well as the corrosive effects of H_(2)S on production facilities.Rapid elutriation of H_(2)S from the reservoir during the construction of the gas storage is an effective way to avoid these problems.However,the existing H_(2)S elutriation method has low efficiency and high economic cost,which limits the development of reconstructed gas storage of sulfur-containing gas reservoirs.To improve the efficiency of H_(2)S elutriation in sulfur-containing gas reservoirs and enhance the economic benefits,a numerical simulation model of multiphase flow components was established to study the migration law of H_(2)S in the multi-cycle operation of gas storage.Based on the H_(2)S migrate law,the displacement H_(2)S elutriation method was developed,and the elutriation mechanism and elutriation efficiency of the two methods were compared and analyzed.In addition,the main controlling factors affecting the H_(2)S elutriation efficiency were investigated,and the H_(2)S elutriation scheme of H gas storage was optimized.The results indicate that H_(2)S migrates between near-well and far-well regions under pressure differentials.The traditional H_(2)S elutriation method relies on concentration gradient diffusion,whereas the displacement elutriation approach leverages pressure differentials with higher H_(2)S elutriation efficiency.For the displacement elutriation method,higher reservoir permeability enhances the peak-shaving capacity of the gas storage but has a minor impact on H_(2)S elutriation when the formation permeability is between 30 and 100 mD.The elutriation efficiency is significantly higher when wells are drilled in the high structural parts of the reservoir compared to the low structural parts.Longer displacement elutriation time within a cycle improves H_(2)S elutriation efficiency but reduces the working gas volume of the storage.Therefore,the optimal displacement time for H gas storage is 60 days.An optimized H_(2)S elutriation scheme enabled the working gas to meet the national first-class natural gas standard within 10 cycles.This study elucidates H_(2)S migration patterns,H_(2)S elutriation mechanisms,and key influence factors on H_(2)S elutriation efficiency,offering valuable technical insights for sour gas storage operations.
基金funded by the National Natural Science Foundation of China(nos.51631006 and 51825101)。
文摘The mechanical properties of Mg–Al–Ca alloys are significantly affected by their Laves phases,including the Al_(2)Ca phase.Laves phases are generally considered to be brittle and have a detrimental effect on the ductility of Mg.Recently,the Al_(2)Ca phase was shown to undergo plastic deformation in a dilute Mg-Al-Ca alloy to increase the ductility and work hardening of the alloy.In the present study,we investigated the extent to which the deformation of Al_(2)Ca is driven by dislocations in the Mg matrix by simulating the interactions between the basal edge dislocations and Al_(2)Ca particles.In particular,the effects of the interparticle spacing,particle orientation,and particle size were considered.Shearing of small particles and dislocation cross-slips near large particles were observed.Both events contribute to strengthening,and accommodate to plasticity.The shear resistance of the dislocation to bypass the particles increased as the particle size increased.The critical resolved shear stress(CRSS)for activating dislocations and stacking faults was easier to reach for small Al_(2)Ca particles owing to the higher local shear stress,which is consistent with the experimental observations.Overall,this work elucidates the driving force for Al_(2)Ca particles in Mg–Al–Ca alloys to undergo plastic deformation.
文摘An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly handle the case of the fast moving targets in high squint geometry.As for the issue,the analytical expression for the two Dimensional(2-D)signal spectrum of moving targets is derived and a fast raw echo simulation method is proposed in this study.The proposed simulator can accommodate the moving targets in the high squint geometry,whose processing steps of the simulation are given in detail and its computational complexity is analyzed.The simulation data for static and moving targets are processed and analyzed,and the results are given to validate the effectiveness of the proposed approach.
基金financially supported by the National Natural Science Foundation of China(No.U20B6003)the China Scholarship Council(No.202306440015)a project of the China Petroleum&Chemical Corporation(No.P22174)。
文摘The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments and molecular dynamics(MD)simulations,this study investigates the microscopic enhanced oil recovery(EOR)mechanisms underlying residual oil removal using hybrid CO_(2) thermal systems.Based on the experimental models for the occurrence of heavy oil,this study evaluates the performance of hybrid CO_(2) thermal systems under various conditions using MD simulations.The results demonstrate that introducing CO_(2) molecules into heavy oil can effectively penetrate and decompose dense aggregates that are originally formed on hydrophobic surfaces.A stable miscible hybrid CO_(2) thermal system,with a high effective distribution ratio of CO_(2),proficiently reduces the interaction energies between heavy oil and rock surfaces,as well as within heavy oil.A visualization analysis of the interactions reveals that strong van der Waals(vdW)attractions occur between CO_(2) and heavy oil molecules,effectively promoting the decomposition and swelling of heavy oil.This unlocks the residual oil on the hydrophobic surfaces.Considering the impacts of temperature and CO_(2) concentration,an optimal gas-to-steam injection ratio(here,the CO_(2):steam ratio)ranging between 1:6 and 1:9 is recommended.This study examines the microscopic mechanisms underlying the hybrid CO_(2) thermal technique at a molecular scale,providing a significant theoretical guide for its expanded application in EOR.
基金supported by the National Natural Science Foundation of China(Grant Nos.52404155 and 52304111)State Key Laboratory for Geomechanics and Deep Underground Engineering,China University of Mining&Technology,Beijing(Grant No.XD2024006).
文摘Drilling and blasting,characterized by their efficiency,ubiquity,and cost-effectiveness,have emerged as predominant techniques in rock excavation;however,they are accompanied by enormous destructive power.Accurately controlling the blasting energy and achieving the directional fracture of a rock mass have become common problems in the field.A two-dimensional blasting(2D blasting)technique was proposed that utilizes the characteristic that the tensile strength of a rock mass is significantly lower than its compressive strength.After blasting,only a 2D crack surface is generated along the predetermined direction,eliminating the damage to the reserved rock mass caused by conventional blasting.However,the interior of a natural rock mass is a"black box",and the process of crack propagation is difficult to capture,resulting in an unclear 2D blasting mechanism.To this end,a single-hole polymethyl methacrylate(PMMA)test piece was used to conduct a 2D blasting experiment with the help of a high-speed camera to capture the dynamic crack propagation process and the digital image correlation(DIC)method to analyze the evolution law of surface strain on the test piece.On this basis,a three-dimensional(3D)finite element model was established based on the progressive failure theory to simulate the stress,strain,damage,and displacement evolution process of the model under 2D blasting.The simulation results were consistent with the experimental results.The research results reveal the 2D blasting mechanism and provide theoretical support for the application of 2D blasting technology in the field of rock excavation.
基金financially supported by the National Natural Science Foundation of China(Grant No.51509045)
文摘Till now, there have been lots of researches on numerical simulation of vortex-induced vibration. Acceptable results have been obtained for fixed cylinders with low Reynolds number. However, for responses of 2-DOF vortex-induced vibration with low mass ratio, the accuracy is not satisfactory, especially for the maximum amplitudes. In Jauvtis and Williamson＇s work, the maximum amplitude of the cylinder with low mass ratio m＊=2.6 can reach as large as 1.5D to be called as the ＂super-upper branch＂, but from current literatures, few simulation results can achieve such value, even fail to capture the upper branch. Besides, it is found that the amplitude decays too fast in the lower branch with the RANS-based turbulence model. The reason is likely to be the defects of the turbulence model itself in the prediction of unsteady separated flows as well as the unreasonable setting of the numerical simulation parameters. Aiming at above issues, a modified turbulence model is proposed in this paper, and the effect of the acceleration of flow field on the response of vortex-induced vibration is studied based on OpenFOAM. By analyzing the responses of amplitude, phase and trajectory, frequency and vortex mode, it is proved that the vortex-induced vibration can be predicted accurately with the modified turbulence model under appropriate flow field acceleration.
基金the support of the National Natural Science Foundation of China(42174147,42474155)the Scientific and Technological Innovation Projects of Laoshan Laboratory(LSKJ20220347)。
文摘Neutron well logging,using instruments equipped with neutron source and detectors(e.g.,^(3)He-tubes,Nal,BGO),plays a key role in lithological differentiation,porosity determination,and fluid property evaluation in the petroleum industry.The growing trend of multifu nctional neutron well logging,which enables simultaneous extraction of multiple reservoir characteristics,requiring high-performance detectors capable of withstanding high-temperature downhole conditions,limited space,and instrument vibrations,while also detecting multiple particle types.The Cs_(2)LiYCl_(6):Ce^(3+)(CLYC)elpasolite scintillator demonstrates excellent temperature resistance and detection efficiency,making it become a promising candidate for leading the development of the novel neutron-based double-particle logging technology.This study employed Monte Carlo simulations to generate equivalent gamma spectra and proposed a pulse shape discrimination simulation method based on theoretical analysis and probabilistic iteration.The performance of CLYC was compared to that of common detectors in terms of physical properties and detection efficiency.A double-particle pulsed neutron detection system for porosity determination was established,based on the count ratio of equivalent gamma rays from the range of 2.95-3.42 MeVee energy bins.Results showed that CLYC can effectively replace ^(3)He-tubes for porosity measurement,providing consistent responses.This study offers numerical simulation support for the design of future neutron well logging tools and the application of double-particle detectors in logging systems.
基金supported by the National Natural Science Foundation of China(Grant Nos.11104319,11274346,51202285,61234005,51172268,51602340,61274059,and 51402347)the Solar Energy Action Plan of Chinese Academy of Sciences(Grant Nos.Y1YT064001,Y1YF034001,and Y2YF014001)+2 种基金the Graduate and College Student’s Innovative Project(Grant No.YC2016-X19)the Project of Beijing Municipal Science and Technology Commission(Grant No.Z151100003515003)the Opening Project of Key Laboratory of Microelectronics Devices&Integrated Technology,Institute of Microelectronics,Chinese Academy of Sciences
文摘Interdigitated back contact（IBC） solar cells can achieve a very high efficiency due to its less optical losses. But IBC solar cells demand for high quality passivation of the front surface. In this paper, a polycrystalline silicon/SiO_2 stack structure as front surface field to passivate the front surface of IBC solar cells is proposed. The passivation quality of this structure is investigated by two dimensional simulations. Polycrystalline silicon layer and SiO_2 layer are optimized to get the best passivation quality of the IBC solar cell. Simulation results indicate that the doping level of polycrystalline silicon should be high enough to allow a very thin polycrystalline silicon layer to ensure an effective passivation and small optical losses at the same time. The thickness of SiO_2 should be neither too thin nor too thick, and the optimal thickness is 1.2 nm.Furthermore, the lateral transport properties of electrons are investigated, and the simulation results indicate that a high doping level and conductivity of polycrystalline silicon can improve the lateral transportation of electrons and then the cell performance.
文摘In this paper a new approach for PBL simulation, the non-local closure scheme based on the transient turbulence theory has been used. It was set up as an alternative to local closure schemes which physical concept is reasonable and distinct. A 2-D non-local closure model was developed in order to study the PBL structure and simulatesome interesting atmospheric processes over non-ulliform underlying surface, especially under the convective and unique weather conditions, such as sea-land circulation and the TIBL structure. The modelled results show good agreement with field measurement.
基金Supported by the National Natural Science Fundation of China (51009034)Foundational Research Funds of Harbin Engineering University (HEUFT05023, HEUFP05001)+1 种基金Foundational Research Funds for the central Universities (HEUCF100102)The 111 program (B07019)
文摘Smoothed Particle Hydrodynamics (SPH) is a Lagrangian meshless particle method. However, its low accuracy of kernel approximation when particles are distributed disorderly or located near the boundary is an obstacle standing in the way of its wide application. Adopting the Taylor series expansion method and solving the integral equation matrix, the second order kernel approximation method can be obtained, namely K2_SPH, which is discussed in this paper. This method is similar to the Finite Particle Method. With the improvement of kernel approximation, some numerical techniques should be adopted for different types of boundaries, such as a free surface boundary and solid boundary, which are two key numerical techniques of K2_SPH for water wave simulation. This paper gives some numerical results of two dimensional water wave simulations involving standing wave and sloshing tank problems by using K2_SPH. From the comparison of simulation results, the K2_SPH method is more reliable than standard SPH.
文摘Molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-period cosin field. The maximum applied field strength was 10^8 V/m , the maximum frequency of the alternating current field and that of the positive-half-period cosine field was 10^12 Hz . The simulation revealed that the field type and field strength act on the population of the molecular configuration. In the strong direct current field, all trans forms converted completely into gauche forms. Order parameter and the correlation of the system torsion angle were also investigated. The results suggested that these two dynamical parameters depended also on the field type and the field strength. The maximum of order parameter was found to be at 0.6in the strong direct current field.
基金funded by CEA,EDF and Framatomefinancial and scientific support of CEA Cadarache.
文摘Considering phase changes associated with a high-temperature molten material cooled down from the outside,this work presents an improvement of the modelling and the numerical simulation of such processes for an application pertaining to the safety of light water nuclear reactors.Postulating a core meltdown accident,the behaviour of the core melt(aka corium)into a steel vessel is of tremendous importance when evaluating the vessel integrity.Evaluating correctly the heat fluxes requires the numerical simulation of the interaction between the liquid material and its solid counterpart which forms during the solidification process,but also may melt back.To simulate this configuration,encoun-tered in various industrial applications,one considers a bi-phase model constituted by a liquid phase in contact and interaction with its solid phase.The liquid phase may solidify in presence of low energetic source,while the solid phase may melt due to an intense heat flux from the high-temperature liquid.In the frame of the in-house legacy code,several simplifying assumptions(0D multi-layer discretization,instantaneous heat transfer via a quadratic temperature profile in solids)are made for the modelling of such phase changes.In the present work,these shortcomings are illustrated and further overcome by solving a 2D heat conduction model in the solid by a mixed Raviart-Thomas finite element method coupled to the liquid phase due to heat and mass exchanges through Stefan condition.The liquid phase is modeled with a 0D multi-layer approach.The 0D-liquid and 2D-solid mod-els are coupled by a Stefan like phase change interface model.Several sanity checks are performed to assess the validity of the approach on 1D and 2D academical configurations for which exact or reference solutions are available.Then more advanced situations(genu-ine multi-dimensional phase changes and an"industrial-like scenario")are simulated to verify the appropriate behavior of the obtained coupled simulation scheme.
基金Projects (2005CB724105, 2011CB706801) supported by the National Basic Research Program of ChinaProjects (10477010, 51171089) supported by the National Natural Science Foundation of China+1 种基金Project (2007AA04Z141) supported by the High-Tech Research and Development Program of ChinaProjects (2009ZX04006-041-04, 2011ZX04014-052) supported by the Important National Science & Technology Specific
文摘A three-dimensional （3-D） modified cellular automaton （MCA） method was developed for simulating the dendrite morphology of cubic system alloys. Two-dimensional （2-D） equations of growth velocities of the dendrite tip, interface curvature and anisotropy of the surface energy were extended to 3-D system in the model. Therefore, the model was able to describe the morphology evolution of 3-D dendrites. Then, the model was applied to simulate the mechanism of spacing adjustment for 3-D columnar dendrite growth, and the competitive growth of columnar dendrites with different preferred growth orientations under constant temperature gradient and pulling velocity. Directional solidification experiments of NH4Cl-H2O transparent alloy were performed. It was found that the simulated results compared well with the experimental results. Therefore, the model was reliable for simulating the 3-D dendrite growth of cubic system alloys.
文摘AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.
