The energy preserving average vector field （AVF） method is applied to the coupled Schr6dinger-KdV equations. Two energy preserving schemes are constructed by using Fourier pseudospectral method in space direction di...The energy preserving average vector field （AVF） method is applied to the coupled Schr6dinger-KdV equations. Two energy preserving schemes are constructed by using Fourier pseudospectral method in space direction discretization. In order to accelerate our simulation, the split-step technique is used. The numerical experiments show that the non-splitting scheme and splitting scheme are both effective, and have excellent long time numerical behavior. The comparisons show that the splitting scheme is faster than the non-splitting scheme, but it is not as good as the non-splitting scheme in preserving the invariants.展开更多
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency...As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.展开更多
Floor field methods are one of the most popular medium-scale navigation concepts in microscopic pedestrian simulators.Recently introduced dynamic floor field methods have significantly increased the realism of such si...Floor field methods are one of the most popular medium-scale navigation concepts in microscopic pedestrian simulators.Recently introduced dynamic floor field methods have significantly increased the realism of such simulations,i.e.agreement of spatio-temporal patterns of pedestrian densities in simulations with real world observations.These methods update floor fields continuously taking other pedestrians into account.This implies that computational times are mainly determined by the calculation of floor fields.In this work,we propose a new computational approach for the construction of dynamic floor fields.The approach is based on the one hand on adaptive grid concepts and on the other hand on a directed calculation of floor fields,i.e.the calculation is restricted to the domain of interest.Combining both techniques the computational complexity can be reduced by a factor of 10 as demonstrated by several realistic scenarios.Thus on-line simulations,a requirement of many applications,are possible for moderate realistic scenarios.展开更多
Shale reservoirs have abundant bedding structures,which deeply alter the mechanical properties of rocks,and thus affect the reservoir stimulation performance.Previous research mostly focuses on the effects of parallel...Shale reservoirs have abundant bedding structures,which deeply alter the mechanical properties of rocks,and thus affect the reservoir stimulation performance.Previous research mostly focuses on the effects of parallel bedding on fracture propagation,while the mechanical properties and mechanisms of fracture propagation remain unclear for rocks with complex wavy bedding(e.g.China’s continentalorigin Gulong shale).Herein,a mixed phase-field fracture model of the wavy-bedding shale was applied,based on the local tension-compression decomposition phase field method(PFM)and geometric structure generation algorithm for the bedding with controllable morphological features.The parametric analysis of fracture propagation behaviors in the case of abundant complex bedding structures showed that with wavy bedding,the vertical fracture propagation rate is far higher than the horizontal propagation rate.Moreover,the development of branch fractures is suppressed during the fracturing process of the wavy-bedding sample,and the stimulated volume is limited,which is different from the characteristic of parallel bedding that promotes horizontal fracture initiation and propagation.The results showed that larger amplitudes,higher frequencies,higher inclination angles,and larger strengths of wavy bedding all promote the formation of vertical penetrating fractures and suppress the growth of branch fractures.Under such circumstances,it is hard to create a well-connected fracture network after fracturing.This research may provide a theoretical basis for understanding fracture behaviors in rocks with such complex wavy bedding.展开更多
The two-phase flow in porous media is affected by multiple factors.In the present study,a two-dimensional numerical model of porous media was developed using the actual pore structure of the core sample.The phase fiel...The two-phase flow in porous media is affected by multiple factors.In the present study,a two-dimensional numerical model of porous media was developed using the actual pore structure of the core sample.The phase field method was utilized to simulate the impact of displacement velocity,the water-gas viscosity ratio,and the density ratio on the flow behavior of two-phase fluids in porous media.The effectiveness of displacement was evaluated by analyzing CO_(2)saturation levels.The results indicate that the saturation of CO_(2)in porous media increased as the displacement velocity increased.When the displacement velocity exceeded 0.01 m/s,there was a corresponding increase in CO_(2)saturation.Conversely,when the displacement velocity was below this threshold,the impact on CO_(2)saturation was minimal.An“inflection point,”M3,was present in the viscosity ratio.When the viscosity of CO_(2)is less than 8.937×10^(-5)Pa·s(viscosity ratio below M3),variations in the viscosity of CO_(2)had little impact on its saturation.Conversely,when the viscosity of CO_(2)exceeded 8.937×10^(-5)Pa·s(viscosity ratio greater than M3),saturation increased with an increase in the viscosity ratio.In terms of the density ratio,the saturation of CO_(2)increased monotonically with an increase in the density ratio.Similarly,increasing density ratios resulted in a monotonic increase in CO_(2)saturation,though this trend was less pronounced in numerical simulations.Analysis results of displacement within dead-end pores using pressure and velocity diagrams reveal eddy currents as contributing factors.Finally,the impact of pore throat structure on the formation of dominant channels was examined.展开更多
Path planning for recovery is studied on the engineering background of double unmanned surface vehicles(USVs)towing oil booms for oil spill recovery.Given the influence of obstacles on the sea,the improved artificial ...Path planning for recovery is studied on the engineering background of double unmanned surface vehicles(USVs)towing oil booms for oil spill recovery.Given the influence of obstacles on the sea,the improved artificial potential field(APF)method is used for path planning.For addressing the two problems of unreachable target and local minimum in the APF,three improved algorithms are proposed by combining the motion performance constraints of the double USV system.These algorithms are then combined as the final APF-123 algorithm for oil spill recovery.Multiple sets of simulation tests are designed according to the flaws of the APF and the process of oil spill recovery.Results show that the proposed algorithms can ensure the system’s safety in tracking oil spills in a complex environment,and the speed is increased by more than 40%compared with the APF method.展开更多
The influence of supercooled melt forced lamina flow on microsegregation was investigated. The concentration distribution at solid-liquid boundary of binary alloy Ni-Cu was simulated using phase field model coupled wi...The influence of supercooled melt forced lamina flow on microsegregation was investigated. The concentration distribution at solid-liquid boundary of binary alloy Ni-Cu was simulated using phase field model coupled with flow field. The microsegregation, concentration maximum value, boundary thickness of concentration near upstream dendrite and normal to flow dendrite, and downstream dendrite were studied quantitatively in the case of forced lamia flow. The simulation results show that solute field and flow field interact complexly. Compared with melt without flow, in front of upstream dendrite tip, the concentration boundary thickness is the lowest and the concentration maximum value is the smallest for melt with flow. However, in front of downstream dendrite tip, the results are just the opposite. The zone of poor Cu in upstream dendrite where is the most severely microsegregation and shrinkage cavity is wider and the concentration is lower for melt with flow than that without flow.展开更多
By utilizing phase field method combined with analysis on free energy and interatomic potentials, pre-precipitation phase formation and transformation process of Ni0.75Al0.05Fe0.2 alloy in early precipitation stage du...By utilizing phase field method combined with analysis on free energy and interatomic potentials, pre-precipitation phase formation and transformation process of Ni0.75Al0.05Fe0.2 alloy in early precipitation stage during the ageing process under 1 000 K were studied. And free energy, microstructures, compositions and volume fractions of pre-precipitation phase and equilibrium phase were analyzed. The simulation results indicate that nonstoichiometric Llo pre-precipitation phase formed first, and then would gradually transform into L12 equilibrium phase. It is discovered that the phase transformation process was closely related to free energy and interatomic potentials. Additionally, it is revealed that free energy of Llo pre-precipitation phase was higher and interatomic potential was smaller than that of L12 equilibrium phase. Therefore, it is concluded that Llo phase was unstable, and phase transformation would occur to L12 which was more stable.展开更多
Lithium metal batteries are the most promising choices for next-generation high-energy–density batteries. However, there is little mechanism understanding on lithium dendrite growth during lithium plating and the dea...Lithium metal batteries are the most promising choices for next-generation high-energy–density batteries. However, there is little mechanism understanding on lithium dendrite growth during lithium plating and the dead lithium(the main component of inactive lithium) formation during lithium stripping. This work proposed a phase field model to describe the lithium stripping process with dead lithium formation.The coupling of galvanostatic conditions enables the phase field method to accurately match experimental results. The factors influencing the dead lithium formation on the increasing discharge polarization are revealed. Besides, the simulation of the battery polarization curve, the capacity loss peak, and the Coulomb efficiency is realized. This contribution affords an insightful understanding on dead lithium formation with phase field methods, which can contribute general principles on rational design of lithium metal batteries.展开更多
A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth m...A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth morphology were investigated, respectively. These results indicate that the nucleus grows into a hexagonal symmetry faceted dendrite. When the mesh grid is above 640×640, the size has no much effect on the shape. With the increase in the anisotropy value, the tip velocities of faceted dendrite increase and reach a balance value, and then decrease gradually. With the increase in the supersaturation value, crystal evolves from circle to the developed faceted dendrite morphology. Based on the Wulff theory and faceted symmetry morphology diagram, the proposed model was proved to be effective, and it can be generalized to arbitrary crystal symmetries.展开更多
Rolling force and rolling moment are prime process parameter of external spline cold rolling.However,the precise theoretical formulae of rolling force and rolling moment are still very fewer,and the determination of t...Rolling force and rolling moment are prime process parameter of external spline cold rolling.However,the precise theoretical formulae of rolling force and rolling moment are still very fewer,and the determination of them depends on experience.In the present study,the mathematical models of rolling force and rolling moment are established based on stress field theory of slip-line.And the isotropic hardening is used to improve the yield criterion.Based on MATLAB program language environment,calculation program is developed according to mathematical models established.The rolling force and rolling moment could be predicted quickly via the calculation program,and then the reliability of the models is validated by FEM.Within the range of module of spline m=0.5-1.5 mm,pressure angle of reference circleα=30.0°-45.0°,and number of spline teeth Z=19-54,the rolling force and rolling moment in rolling process(finishing rolling is excluded)are researched by means of virtualizing orthogonal experiment design.The results of the present study indicate that:the influences of module and number of spline teeth on the maximum rolling force and rolling moment in the process are remarkable;in the case of pressure angle of reference circle is little,module of spline is great,and number of spline teeth is little,the peak value of rolling force in rolling process may appear in the midst of the process;the peak value of rolling moment in rolling process appears in the midst of the process,and then oscillator weaken to a stable value.The results of the present study may provide guidelines for the determination of power of the motor and the design of hydraulic system of special machine,and provide basis for the farther researches on the precise forming process of external spline cold rolling.展开更多
The formation of non-dendritic structures in the primary phase of an aluminum alloy solidified using low superheat pouring with a shearing field(LSPSF) machine was investigated by numerical simulation.The growth and m...The formation of non-dendritic structures in the primary phase of an aluminum alloy solidified using low superheat pouring with a shearing field(LSPSF) machine was investigated by numerical simulation.The growth and motion of a dendrite during solidification was simulated by a combination of the lattice Boltzmann method and the phase field method.The simulation results indicated that enough shear flow helped homogenize the concentration fields,rotate crystals and altere microstructures from dendritic to non-dendritic.The interaction of grains was also discussed.A fragmentation criterion was established based on partial remelting of dendrite arms;fragmentation was enhanced by a strong shear flow and larger inclined angles.The simulation results were verified experimentally.展开更多
Numerical simulation based on a new regularized phase field model was presented to simulate the dendritic shape of a non-isothermal alloy with strong anisotropy in a forced flow. The simulation results show that a cry...Numerical simulation based on a new regularized phase field model was presented to simulate the dendritic shape of a non-isothermal alloy with strong anisotropy in a forced flow. The simulation results show that a crystal nucleus grows into a symmetric dendrite in a free flow and into an asymmetry dendrite in a forced flow. As the forced flow velocity is increased, both of the promoting effect on the upstream arm and the inhibiting effects on the downstream and perpendicular arms are intensified, and the perpendicular arm tilts to the upstream direction. With increasing the anisotropy value to 0.14, all of the dendrite arms tip velocities are gradually stabilized and finally reach their relative saturation values. In addition, the effects of an undercooling parameter and a forced compound flow on the faceted dendrite growth were also investigated.展开更多
The phase-field model coupled with a flow field was used to simulate the solidification of pure materials by the finite difference method. The effects of initial crystal radius, the space step and the interface thickn...The phase-field model coupled with a flow field was used to simulate the solidification of pure materials by the finite difference method. The effects of initial crystal radius, the space step and the interface thickness on the dendrite growth were studied. Results indicate that the grain grows into an equiaxial dendrite during free flow and into a typical branched structure under forced flow. The radius of an initial crystal can affect the growth of side-branches but not the stability of the dendrite＇s tip when an appropriate value is assigned to it. With an increase in space steps, side-branches appear at the upstream of the longitudinal principal branch and they grow rapidly. With an increase in the interface thickness, the trunk of the longitudinal upstream and lateral principal branches grow longer and become more slender while the number of secondary branches increases.展开更多
Fused deposition modelling(FDM), a widely used rapid prototyping process, is a promising technique in manufacturing engineering. In this work, a method for characterizing elastic constants of FDM-fabricated materials ...Fused deposition modelling(FDM), a widely used rapid prototyping process, is a promising technique in manufacturing engineering. In this work, a method for characterizing elastic constants of FDM-fabricated materials is proposed. First of all, according to the manufacturing process of FDM, orthotropic constitutive model is used to describe the mechanical behavior. Then the virtual fields method(VFM) is applied to characterize all the mechanical parameters(Q, Q, Q, Q) using the full-field strain,which is measured by digital image correlation(DIC). Since the principal axis of the FDM-fabricated structure is sometimes unknown due to the complexity of the manufacturing process, a disk in diametrical compression is used as the load configuration so that the loading angle can be changed conveniently. To verify the feasibility of the proposed method, finite element method(FEM) simulation is conducted to obtain the strain field of the disk. The simulation results show that higher accuracy can be achieved when the loading angle is close to 30?. Finally, a disk fabricated by FDM was used for the experiment. By rotating the disk, several tests with different loading angles were conducted. To determine the position of the principal axis in each test, two groups of parameters(Q, Q, Q, Q) are calculated by two different groups of virtual fields. Then the corresponding loading angle can be determined by minimizing the deviation between two groups of the parameters. After that, the four constants(Q, Q, Q, Q) were determined from the test with an angle of 27?.展开更多
In order to study the distribution of shale gas reservoir in the Babaoshan Basin of Eastern Kunlun,the wide-field electromagnetic(WFEM)survey was carried out to obtain the spatial distribution characteristics of the u...In order to study the distribution of shale gas reservoir in the Babaoshan Basin of Eastern Kunlun,the wide-field electromagnetic(WFEM)survey was carried out to obtain the spatial distribution characteristics of the underground electrical volume resistivity based on the delineation of the scope of the Babaoshan Basin by regional gravity data.The basic characteristics of the basement,basin framework,and extension,vertical change,burial depth of dark mud shale in this area were identified,and the electrical distribution of the Babaoshan mud shale horizon was revealed,which has been proved to be a good geological effect by drilling.The exploration results show that the WFEM has significant effects on the exploration of shale gas occurrence strata,which meets the needs of investigation and evaluation of multi-layered and large-scale shale gas,and plays a good demonstration role in the follow-up shale gas exploration.展开更多
To make three-dimensional electromagnetic exploration achievable,the distributed wide field electromagnetic method(WFEM)based on the high-order 2^(n) sequence pseudo-random signal is proposed and realized.In this meth...To make three-dimensional electromagnetic exploration achievable,the distributed wide field electromagnetic method(WFEM)based on the high-order 2^(n) sequence pseudo-random signal is proposed and realized.In this method,only one set of high-order pseudo-random waveforms,which contains all target frequencies,is needed.Based on high-order sequence pseudo-random signal construction algorithm,the waveform can be customized according to different exploration tasks.And the receivers are independent with each other and dynamically adjust the acquisition parameters according to different requirements.A field test in the deep iron ore of Qihe−Yucheng showed that the distributed WFEM based on high-order pseudo-random signal realizes the high-efficiency acquisition of massive electromagnetic data in quite a short time.Compared with traditional controlled-source electromagnetic methods,the distributed WFEM is much more efficient.Distributed WFEM can be applied to the large scale and high-resolution exploration for deep resources and minerals.展开更多
This paper deals with the generalization of the fieldmethod to non-holonomic systems whose motion is subject toeither non-linear constraints or those of a higher order,whiletheir motion is modeled by the generalized L...This paper deals with the generalization of the fieldmethod to non-holonomic systems whose motion is subject toeither non-linear constraints or those of a higher order,whiletheir motion is modeled by the generalized Lagrange equa-tions of the second kind.Two examples are given to illustratethe theory.展开更多
Currently,in the era of big data and 5G communication technology,electromigration has become a serious reliability issue for the miniaturized solder joints used in microelectronic devices.Since the effective charge nu...Currently,in the era of big data and 5G communication technology,electromigration has become a serious reliability issue for the miniaturized solder joints used in microelectronic devices.Since the effective charge number(Z*)is considered as the driving force for electromigration,the lack of accurate experimental values for Z* poses severe challenges for the simulation-aided design of electronic materials.In this work,a data-driven framework is developed to predict the Z* values of Cu and Sn species at the anode based LIQUID,Cu_(6)Sn_(5) intermetallic compound(IMC)and FCC phases for the binary Cu-Sn system undergoing electromigration at 523.15 K.The growth rate constants(kem)of the anode IMC at several magnitudes of applied low current density(j=1×10^6 to 10×10^6A/m^2)are extracted from simulations based on a 1D multi-phase field model.A neural network employing Z* and j as input features,whereas utilizing these computed kemdata as the expected output is trained.The results of the neural network analysis are optimized with experimental growth rate constants to estimate the effective charge numbers.For a negligible increase in temperature at low j values,effective charge numbers of all phases are found to increase with current density and the increase is much more pronounced for the IMC phase.The predicted values of effective charge numbers Z* are then utilized in a 2D simulation to observe the anode IMC grain growth and electrical resistance changes in the multi-phase system.As the work consists of the aspects of experiments,theory,computation,and machine learning,it can be called the four paradigms approach for the study of electromigration in Pb-free solder.Such a combination of multiple paradigms of materials design can be problem-solving for any future research scenario that is marked by uncertainties regarding the determination of material properties.展开更多
The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially ...The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially at the interface,and the averagesize of the voids increases with both the time and strain rate.There is an obvious coalescence of the voids at a large strain rate whenthe deformation is applied along the interface under both constant and cyclic strain rate conditions.For the cyclic strain rate appliedalong the interface,the growth exponent of Kirkendall voids increases with increasing the strain rate when the strain rate is largerthan1.0×10-6,while it increases initially and then decreases when the strain rate is smaller than9.0×10?7.The growth exponent ofKirkendall voids increases initially and then decreases gradually with increasing the length of cyclic period under a square-waveform constant strain rate.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.91130013)the Open Foundation of State Key Laboratory of HighPerformance Computing of China
文摘The energy preserving average vector field （AVF） method is applied to the coupled Schr6dinger-KdV equations. Two energy preserving schemes are constructed by using Fourier pseudospectral method in space direction discretization. In order to accelerate our simulation, the split-step technique is used. The numerical experiments show that the non-splitting scheme and splitting scheme are both effective, and have excellent long time numerical behavior. The comparisons show that the splitting scheme is faster than the non-splitting scheme, but it is not as good as the non-splitting scheme in preserving the invariants.
基金support provided by the National Natural Science Foundation of China(No.22273043).
文摘As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters.
文摘Floor field methods are one of the most popular medium-scale navigation concepts in microscopic pedestrian simulators.Recently introduced dynamic floor field methods have significantly increased the realism of such simulations,i.e.agreement of spatio-temporal patterns of pedestrian densities in simulations with real world observations.These methods update floor fields continuously taking other pedestrians into account.This implies that computational times are mainly determined by the calculation of floor fields.In this work,we propose a new computational approach for the construction of dynamic floor fields.The approach is based on the one hand on adaptive grid concepts and on the other hand on a directed calculation of floor fields,i.e.the calculation is restricted to the domain of interest.Combining both techniques the computational complexity can be reduced by a factor of 10 as demonstrated by several realistic scenarios.Thus on-line simulations,a requirement of many applications,are possible for moderate realistic scenarios.
基金supported by the Technology Project of CNPC(Grant No.2023ZZ08)the National Natural Science Foundation of China(Grant No.52274058)the USTC Research Funds of the Double First-Class Initiative(Grant No.YD2090002025).
文摘Shale reservoirs have abundant bedding structures,which deeply alter the mechanical properties of rocks,and thus affect the reservoir stimulation performance.Previous research mostly focuses on the effects of parallel bedding on fracture propagation,while the mechanical properties and mechanisms of fracture propagation remain unclear for rocks with complex wavy bedding(e.g.China’s continentalorigin Gulong shale).Herein,a mixed phase-field fracture model of the wavy-bedding shale was applied,based on the local tension-compression decomposition phase field method(PFM)and geometric structure generation algorithm for the bedding with controllable morphological features.The parametric analysis of fracture propagation behaviors in the case of abundant complex bedding structures showed that with wavy bedding,the vertical fracture propagation rate is far higher than the horizontal propagation rate.Moreover,the development of branch fractures is suppressed during the fracturing process of the wavy-bedding sample,and the stimulated volume is limited,which is different from the characteristic of parallel bedding that promotes horizontal fracture initiation and propagation.The results showed that larger amplitudes,higher frequencies,higher inclination angles,and larger strengths of wavy bedding all promote the formation of vertical penetrating fractures and suppress the growth of branch fractures.Under such circumstances,it is hard to create a well-connected fracture network after fracturing.This research may provide a theoretical basis for understanding fracture behaviors in rocks with such complex wavy bedding.
基金National Science Foundation of China,Grant/Award Number:5227090113Shenzhen Science and Technology Program,Grant/Award Numbers:KCXFZ20230731093901003,KCXFZ20211020163816023The Project of Hetao Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone,Grant/Award Number:HZQB-KCZYB-2020083。
文摘The two-phase flow in porous media is affected by multiple factors.In the present study,a two-dimensional numerical model of porous media was developed using the actual pore structure of the core sample.The phase field method was utilized to simulate the impact of displacement velocity,the water-gas viscosity ratio,and the density ratio on the flow behavior of two-phase fluids in porous media.The effectiveness of displacement was evaluated by analyzing CO_(2)saturation levels.The results indicate that the saturation of CO_(2)in porous media increased as the displacement velocity increased.When the displacement velocity exceeded 0.01 m/s,there was a corresponding increase in CO_(2)saturation.Conversely,when the displacement velocity was below this threshold,the impact on CO_(2)saturation was minimal.An“inflection point,”M3,was present in the viscosity ratio.When the viscosity of CO_(2)is less than 8.937×10^(-5)Pa·s(viscosity ratio below M3),variations in the viscosity of CO_(2)had little impact on its saturation.Conversely,when the viscosity of CO_(2)exceeded 8.937×10^(-5)Pa·s(viscosity ratio greater than M3),saturation increased with an increase in the viscosity ratio.In terms of the density ratio,the saturation of CO_(2)increased monotonically with an increase in the density ratio.Similarly,increasing density ratios resulted in a monotonic increase in CO_(2)saturation,though this trend was less pronounced in numerical simulations.Analysis results of displacement within dead-end pores using pressure and velocity diagrams reveal eddy currents as contributing factors.Finally,the impact of pore throat structure on the formation of dominant channels was examined.
基金Supported by the National Natural Science Foundation of China (Grant No. 52071097)Hainan Provincial Natural Science Foundation of China (Grant No. 522MS162)Research Fund from Science and Technology on Underwater Vehicle Technology Laboratory (Grant No. 2021JCJQ-SYSJJ-LB06910)。
文摘Path planning for recovery is studied on the engineering background of double unmanned surface vehicles(USVs)towing oil booms for oil spill recovery.Given the influence of obstacles on the sea,the improved artificial potential field(APF)method is used for path planning.For addressing the two problems of unreachable target and local minimum in the APF,three improved algorithms are proposed by combining the motion performance constraints of the double USV system.These algorithms are then combined as the final APF-123 algorithm for oil spill recovery.Multiple sets of simulation tests are designed according to the flaws of the APF and the process of oil spill recovery.Results show that the proposed algorithms can ensure the system’s safety in tracking oil spills in a complex environment,and the speed is increased by more than 40%compared with the APF method.
基金Project (10964004) supported by the National Natural Science Foundation of ChinaProject (20070731001) supported by Research Fund for the Doctoral Program of ChinaProject (096RJZA104) supported by the Natural Science Foundation of Gansu Province,China
文摘The influence of supercooled melt forced lamina flow on microsegregation was investigated. The concentration distribution at solid-liquid boundary of binary alloy Ni-Cu was simulated using phase field model coupled with flow field. The microsegregation, concentration maximum value, boundary thickness of concentration near upstream dendrite and normal to flow dendrite, and downstream dendrite were studied quantitatively in the case of forced lamia flow. The simulation results show that solute field and flow field interact complexly. Compared with melt without flow, in front of upstream dendrite tip, the concentration boundary thickness is the lowest and the concentration maximum value is the smallest for melt with flow. However, in front of downstream dendrite tip, the results are just the opposite. The zone of poor Cu in upstream dendrite where is the most severely microsegregation and shrinkage cavity is wider and the concentration is lower for melt with flow than that without flow.
基金Projects(10902086, 50941020, 50875217) supported by the National Natural Science Foundation of China Projects(JC201005) supported by Basic Research Fund of Northwestern Polytechnical University, China Project supported by Graduate Starting Seed Fund and Doctoral Foundation of Northwestern Polytechnical University, China
文摘By utilizing phase field method combined with analysis on free energy and interatomic potentials, pre-precipitation phase formation and transformation process of Ni0.75Al0.05Fe0.2 alloy in early precipitation stage during the ageing process under 1 000 K were studied. And free energy, microstructures, compositions and volume fractions of pre-precipitation phase and equilibrium phase were analyzed. The simulation results indicate that nonstoichiometric Llo pre-precipitation phase formed first, and then would gradually transform into L12 equilibrium phase. It is discovered that the phase transformation process was closely related to free energy and interatomic potentials. Additionally, it is revealed that free energy of Llo pre-precipitation phase was higher and interatomic potential was smaller than that of L12 equilibrium phase. Therefore, it is concluded that Llo phase was unstable, and phase transformation would occur to L12 which was more stable.
基金supported by the National Natural Scientific Foundation of China(22109011)the China Postdoctoral Science Foundation(BX20200047,2021M690380)。
文摘Lithium metal batteries are the most promising choices for next-generation high-energy–density batteries. However, there is little mechanism understanding on lithium dendrite growth during lithium plating and the dead lithium(the main component of inactive lithium) formation during lithium stripping. This work proposed a phase field model to describe the lithium stripping process with dead lithium formation.The coupling of galvanostatic conditions enables the phase field method to accurately match experimental results. The factors influencing the dead lithium formation on the increasing discharge polarization are revealed. Besides, the simulation of the battery polarization curve, the capacity loss peak, and the Coulomb efficiency is realized. This contribution affords an insightful understanding on dead lithium formation with phase field methods, which can contribute general principles on rational design of lithium metal batteries.
基金Projects(11102164,11304243)supported by the National Natural Science Foundation of ChinaProject(2014JQ1039)supported by the Natural Science Foundation of Shannxi Province,China+1 种基金Project(3102016ZY027)supported by the Fundamental Research Funds for the Central Universities of ChinaProject(13GH014602)supported by the Program of New Staff and Research Area Project of NWPU,China
文摘A numerical simulation based on a regularized phase field model is developed to describe faceted dendrite growth morphology. The effects of mesh grid, anisotropy, supersaturation and fold symmetry on dendrite growth morphology were investigated, respectively. These results indicate that the nucleus grows into a hexagonal symmetry faceted dendrite. When the mesh grid is above 640×640, the size has no much effect on the shape. With the increase in the anisotropy value, the tip velocities of faceted dendrite increase and reach a balance value, and then decrease gradually. With the increase in the supersaturation value, crystal evolves from circle to the developed faceted dendrite morphology. Based on the Wulff theory and faceted symmetry morphology diagram, the proposed model was proved to be effective, and it can be generalized to arbitrary crystal symmetries.
基金supported by National Natural Science Foundation of China(Grant No.50675145)Shanxi Provincial Key Project of Science and Technology of China(Grant No.2006031147)+1 种基金Shanxi Provincial Innovation Project for Graduate Students of China(Grant No.20061027)Shanxi Provincial Key Project for Studied-abroad Returnee of China
文摘Rolling force and rolling moment are prime process parameter of external spline cold rolling.However,the precise theoretical formulae of rolling force and rolling moment are still very fewer,and the determination of them depends on experience.In the present study,the mathematical models of rolling force and rolling moment are established based on stress field theory of slip-line.And the isotropic hardening is used to improve the yield criterion.Based on MATLAB program language environment,calculation program is developed according to mathematical models established.The rolling force and rolling moment could be predicted quickly via the calculation program,and then the reliability of the models is validated by FEM.Within the range of module of spline m=0.5-1.5 mm,pressure angle of reference circleα=30.0°-45.0°,and number of spline teeth Z=19-54,the rolling force and rolling moment in rolling process(finishing rolling is excluded)are researched by means of virtualizing orthogonal experiment design.The results of the present study indicate that:the influences of module and number of spline teeth on the maximum rolling force and rolling moment in the process are remarkable;in the case of pressure angle of reference circle is little,module of spline is great,and number of spline teeth is little,the peak value of rolling force in rolling process may appear in the midst of the process;the peak value of rolling moment in rolling process appears in the midst of the process,and then oscillator weaken to a stable value.The results of the present study may provide guidelines for the determination of power of the motor and the design of hydraulic system of special machine,and provide basis for the farther researches on the precise forming process of external spline cold rolling.
基金Project(51674144)supported by the National Natural Science Foundation of ChinaProject(KJLD14016)supported by the Luodi Research Plan of Jiangxi Educational Department,China+1 种基金Projects(20122BAB206021,20133ACB21003)supported by the Natural Science Foundation of Jiangxi Province,ChinaProject(20122BCB23001)supported by the Young Scientists Cultivating Program of Jiangxi Province,China
文摘The formation of non-dendritic structures in the primary phase of an aluminum alloy solidified using low superheat pouring with a shearing field(LSPSF) machine was investigated by numerical simulation.The growth and motion of a dendrite during solidification was simulated by a combination of the lattice Boltzmann method and the phase field method.The simulation results indicated that enough shear flow helped homogenize the concentration fields,rotate crystals and altere microstructures from dendritic to non-dendritic.The interaction of grains was also discussed.A fragmentation criterion was established based on partial remelting of dendrite arms;fragmentation was enhanced by a strong shear flow and larger inclined angles.The simulation results were verified experimentally.
基金Project(11102164)supported by the National Natural Science Foundation of ChinaProject(G9KY101502)supported by NPU Foundation for Fundamental Research,China
文摘Numerical simulation based on a new regularized phase field model was presented to simulate the dendritic shape of a non-isothermal alloy with strong anisotropy in a forced flow. The simulation results show that a crystal nucleus grows into a symmetric dendrite in a free flow and into an asymmetry dendrite in a forced flow. As the forced flow velocity is increased, both of the promoting effect on the upstream arm and the inhibiting effects on the downstream and perpendicular arms are intensified, and the perpendicular arm tilts to the upstream direction. With increasing the anisotropy value to 0.14, all of the dendrite arms tip velocities are gradually stabilized and finally reach their relative saturation values. In addition, the effects of an undercooling parameter and a forced compound flow on the faceted dendrite growth were also investigated.
基金supported by a Program of the Lanzhou Science and Technology Bureau (No.2009-1-9)the Doctoral Fund of Lanzhou University of Technology(No.SB01200606)
文摘The phase-field model coupled with a flow field was used to simulate the solidification of pure materials by the finite difference method. The effects of initial crystal radius, the space step and the interface thickness on the dendrite growth were studied. Results indicate that the grain grows into an equiaxial dendrite during free flow and into a typical branched structure under forced flow. The radius of an initial crystal can affect the growth of side-branches but not the stability of the dendrite＇s tip when an appropriate value is assigned to it. With an increase in space steps, side-branches appear at the upstream of the longitudinal principal branch and they grow rapidly. With an increase in the interface thickness, the trunk of the longitudinal upstream and lateral principal branches grow longer and become more slender while the number of secondary branches increases.
基金the financial support from the National Natural Science Foundation of China (Grants 11672153, 11232008, and 11227801)
文摘Fused deposition modelling(FDM), a widely used rapid prototyping process, is a promising technique in manufacturing engineering. In this work, a method for characterizing elastic constants of FDM-fabricated materials is proposed. First of all, according to the manufacturing process of FDM, orthotropic constitutive model is used to describe the mechanical behavior. Then the virtual fields method(VFM) is applied to characterize all the mechanical parameters(Q, Q, Q, Q) using the full-field strain,which is measured by digital image correlation(DIC). Since the principal axis of the FDM-fabricated structure is sometimes unknown due to the complexity of the manufacturing process, a disk in diametrical compression is used as the load configuration so that the loading angle can be changed conveniently. To verify the feasibility of the proposed method, finite element method(FEM) simulation is conducted to obtain the strain field of the disk. The simulation results show that higher accuracy can be achieved when the loading angle is close to 30?. Finally, a disk fabricated by FDM was used for the experiment. By rotating the disk, several tests with different loading angles were conducted. To determine the position of the principal axis in each test, two groups of parameters(Q, Q, Q, Q) are calculated by two different groups of virtual fields. Then the corresponding loading angle can be determined by minimizing the deviation between two groups of the parameters. After that, the four constants(Q, Q, Q, Q) were determined from the test with an angle of 27?.
基金Project(2019-SF-141)supported by Science and Technology Program of Qinghai Province,ChinaProjects(2017042105kc055,2017042014ky014)supported by Geological Exploration Foundation of Qinghai Province,China。
文摘In order to study the distribution of shale gas reservoir in the Babaoshan Basin of Eastern Kunlun,the wide-field electromagnetic(WFEM)survey was carried out to obtain the spatial distribution characteristics of the underground electrical volume resistivity based on the delineation of the scope of the Babaoshan Basin by regional gravity data.The basic characteristics of the basement,basin framework,and extension,vertical change,burial depth of dark mud shale in this area were identified,and the electrical distribution of the Babaoshan mud shale horizon was revealed,which has been proved to be a good geological effect by drilling.The exploration results show that the WFEM has significant effects on the exploration of shale gas occurrence strata,which meets the needs of investigation and evaluation of multi-layered and large-scale shale gas,and plays a good demonstration role in the follow-up shale gas exploration.
基金funded by the National Natural Science Foundation of China(No.42004056)the Natural Science Foundation of Shangdong Province,China(No.ZR2020QD052)China Postdoctoral Science Foundation(No.2019M652386)。
文摘To make three-dimensional electromagnetic exploration achievable,the distributed wide field electromagnetic method(WFEM)based on the high-order 2^(n) sequence pseudo-random signal is proposed and realized.In this method,only one set of high-order pseudo-random waveforms,which contains all target frequencies,is needed.Based on high-order sequence pseudo-random signal construction algorithm,the waveform can be customized according to different exploration tasks.And the receivers are independent with each other and dynamically adjust the acquisition parameters according to different requirements.A field test in the deep iron ore of Qihe−Yucheng showed that the distributed WFEM based on high-order pseudo-random signal realizes the high-efficiency acquisition of massive electromagnetic data in quite a short time.Compared with traditional controlled-source electromagnetic methods,the distributed WFEM is much more efficient.Distributed WFEM can be applied to the large scale and high-resolution exploration for deep resources and minerals.
基金The project supported by the Ministry of Science,Technologies and Development,Republic of Serbia(1874)
文摘This paper deals with the generalization of the fieldmethod to non-holonomic systems whose motion is subject toeither non-linear constraints or those of a higher order,whiletheir motion is modeled by the generalized Lagrange equa-tions of the second kind.Two examples are given to illustratethe theory.
基金financially supported by the KU Leuven Research Fund(C14/17/075)the National Natural Science Foundation of China(No.51871040)the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation program(INTERDIFFUSION,No.714754)。
文摘Currently,in the era of big data and 5G communication technology,electromigration has become a serious reliability issue for the miniaturized solder joints used in microelectronic devices.Since the effective charge number(Z*)is considered as the driving force for electromigration,the lack of accurate experimental values for Z* poses severe challenges for the simulation-aided design of electronic materials.In this work,a data-driven framework is developed to predict the Z* values of Cu and Sn species at the anode based LIQUID,Cu_(6)Sn_(5) intermetallic compound(IMC)and FCC phases for the binary Cu-Sn system undergoing electromigration at 523.15 K.The growth rate constants(kem)of the anode IMC at several magnitudes of applied low current density(j=1×10^6 to 10×10^6A/m^2)are extracted from simulations based on a 1D multi-phase field model.A neural network employing Z* and j as input features,whereas utilizing these computed kemdata as the expected output is trained.The results of the neural network analysis are optimized with experimental growth rate constants to estimate the effective charge numbers.For a negligible increase in temperature at low j values,effective charge numbers of all phases are found to increase with current density and the increase is much more pronounced for the IMC phase.The predicted values of effective charge numbers Z* are then utilized in a 2D simulation to observe the anode IMC grain growth and electrical resistance changes in the multi-phase system.As the work consists of the aspects of experiments,theory,computation,and machine learning,it can be called the four paradigms approach for the study of electromigration in Pb-free solder.Such a combination of multiple paradigms of materials design can be problem-solving for any future research scenario that is marked by uncertainties regarding the determination of material properties.
基金Projects(51275178,51405162,51205135) supported by the National Natural Science Foundation of ChinaProjects(20110172110003,20130172120055) supported by the Doctoral Program of Higher Education of China
文摘The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially at the interface,and the averagesize of the voids increases with both the time and strain rate.There is an obvious coalescence of the voids at a large strain rate whenthe deformation is applied along the interface under both constant and cyclic strain rate conditions.For the cyclic strain rate appliedalong the interface,the growth exponent of Kirkendall voids increases with increasing the strain rate when the strain rate is largerthan1.0×10-6,while it increases initially and then decreases when the strain rate is smaller than9.0×10?7.The growth exponent ofKirkendall voids increases initially and then decreases gradually with increasing the length of cyclic period under a square-waveform constant strain rate.
