Prestack reverse time migration （RTM） is an accurate imaging method ofsubsurface media. The viscoacoustic prestack RTM is of practical significance because itconsiders the viscosity of the subsurface media. One of t...Prestack reverse time migration （RTM） is an accurate imaging method ofsubsurface media. The viscoacoustic prestack RTM is of practical significance because itconsiders the viscosity of the subsurface media. One of the steps of RTM is solving thewave equation and extrapolating the wave field forward and backward; therefore, solvingaccurately and efficiently the wave equation affects the imaging results and the efficiencyof RTM. In this study, we use the optimal time-space domain dispersion high-order finite-difference （FD） method to solve the viscoacoustic wave equation. Dispersion analysis andnumerical simulations show that the optimal time-space domain FD method is more accurateand suppresses the numerical dispersion. We use hybrid absorbing boundary conditions tohandle the boundary reflection. We also use source-normalized cross-correlation imagingconditions for migration and apply Laplace filtering to remove the low-frequency noise.Numerical modeling suggests that the viscoacoustic wave equation RTM has higher imagingresolution than the acoustic wave equation RTM when the viscosity of the subsurface isconsidered. In addition, for the wave field extrapolation, we use the adaptive variable-lengthFD operator to calculate the spatial derivatives and improve the computational efficiencywithout compromising the accuracy of the numerical solution.展开更多
The paper presents a staggered-grid any even-order accurate finite-difference scheme for two-dimensional (2D), three-component (3C), first-order stress-velocity elastic wave equation and its stability condition in the...The paper presents a staggered-grid any even-order accurate finite-difference scheme for two-dimensional (2D), three-component (3C), first-order stress-velocity elastic wave equation and its stability condition in the arbitrary tilt anisotropic media; and derives a perfectly matched absorbing layer (PML) boundary condition and its stag- gered-grid any even-order accurate difference scheme in the 2D arbitrary tilt anisotropic media. The results of nu- merical modeling indicate that the modeling precision is high, the calculation efficiency is satisfactory and the absorbing boundary condition is better. The wave-front shapes of elastic waves are complex in the anisotropic media, and the velocity of qP wave is not always faster than that of qS wave. The wave-front triplication of qS wave and its events in both reflected domain and propagated domain, which are not commonly hyperbola, is a common phenomenon. When the symmetry axis is tilted in the TI media, the phenomenon of S-wave splitting is clearly observed in the snaps of three components and synthetic seismograms, and the events of all kinds of waves are asymmetric.展开更多
In this paper, first we calculate finite-difference coefficients of implicit finite- difference methods （IFDM） for the first and second-order derivatives on normal grids and first- order derivatives on staggered gri...In this paper, first we calculate finite-difference coefficients of implicit finite- difference methods （IFDM） for the first and second-order derivatives on normal grids and first- order derivatives on staggered grids and find that small coefficients of high-order IFDMs exist. Dispersion analysis demonstrates that omitting these small coefficients can retain approximately the same order accuracy but greatly reduce computational costs. Then, we introduce a mirrorimage symmetric boundary condition to improve IFDMs accuracy and stability and adopt the hybrid absorbing boundary condition （ABC） to reduce unwanted reflections from the model boundary. Last, we give elastic wave modeling examples for homogeneous and heterogeneous models to demonstrate the advantages of the proposed scheme.展开更多
Finite-difference methods with high-order accuracy have been utilized to improve the precision of numerical solution for partial differential equations. However, the computation cost generally increases linearly with ...Finite-difference methods with high-order accuracy have been utilized to improve the precision of numerical solution for partial differential equations. However, the computation cost generally increases linearly with increased order of accuracy. Upon examination of the finite-difference formulas for the first-order and second-order derivatives, and the staggered finite-difference formulas for the first-order derivative, we examine the variation of finite-difference coefficients with accuracy order and note that there exist some very small coefficients. With the order increasing, the number of these small coefficients increases, however, the values decrease sharply. An error analysis demonstrates that omitting these small coefficients not only maintain approximately the same level of accuracy of finite difference but also reduce computational cost significantly. Moreover, it is easier to truncate for the high-order finite-difference formulas than for the pseudospectral for- mulas. Thus this study proposes a truncated high-order finite-difference method, and then demonstrates the efficiency and applicability of the method with some numerical examples.展开更多
The method of splitting a plane-wave finite-difference time-domain （SP-FDTD） algorithm is presented for the initiation of plane-wave source in the total-field / scattered-field （TF/SF） formulation of high-order sy...The method of splitting a plane-wave finite-difference time-domain （SP-FDTD） algorithm is presented for the initiation of plane-wave source in the total-field / scattered-field （TF/SF） formulation of high-order symplectic finite- difference time-domain （SFDTD） scheme for the first time. By splitting the fields on one-dimensional grid and using the nature of numerical plane-wave in finite-difference time-domain （FDTD）, the identical dispersion relation can be obtained and proved between the one-dimensional and three-dimensional grids. An efficient plane-wave source is simulated on one-dimensional grid and a perfect match can be achieved for a plane-wave propagating at any angle forming an integer grid cell ratio. Numerical simulations show that the method is valid for SFDTD and the residual field in SF region is shrinked down to -300 dB.展开更多
In seismic exploration, it is common practice to separate the P-wavefield from the S-wavefield by the elastic wavefield decomposition technique, for imaging purposes. However, it is sometimes difficult to achieve this...In seismic exploration, it is common practice to separate the P-wavefield from the S-wavefield by the elastic wavefield decomposition technique, for imaging purposes. However, it is sometimes difficult to achieve this, especially when the velocity field is complex. A useful approach in multi-component analysis and modeling is to directly solve the elastic wave equations for the pure P- or S-wavefields, referred as the separate elastic wave equa- tions. In this study, we compare two kinds of such wave equations： the first-order （velocity-stress） and the second- order （displacement-stress） separate elastic wave equa- tions, with the first-order （velocity-stress） and the second- order （displacement-stress） full （or mixed） elastic wave equations using a high-order staggered grid finite-differ- ence method. Comparisons are given of wavefield snap- shots, common-source gather seismic sections, and individual synthetic seismogram. The simulation tests show that equivalent results can be obtained, regardless of whether the first-order or second-order separate elastic wave equations are used for obtaining the pure P- or S-wavefield. The stacked pure P- and S-wavefields are equal to the mixed wave fields calculated using the corre- sponding first-order or second-order full elastic wave equations. These mixed equations are computationallyslightly less expensive than solving the separate equations. The attraction of the separate equations is that they achieve separated P- and S-wavefields which can be used to test the efficacy of wave decomposition procedures in multi-com- ponent processing. The second-order separate elastic wave equations are a good choice because they offer information on the pure P-wave or S-wave displacements.展开更多
We investigate theoretically the effects of chirped laser pulses on high-order harmonic generation(HHG)from solids.We find that the harmonic spectra display redshifts for the driving laser pulses with negative chirp a...We investigate theoretically the effects of chirped laser pulses on high-order harmonic generation(HHG)from solids.We find that the harmonic spectra display redshifts for the driving laser pulses with negative chirp and blueshifts for those with positive chirp,which is due to the change in the instantaneous frequency of the driving laser for different chirped pulses.The analysis of crystal-momentum-resolved(k-resolved)HHG reveals that the frequency shifts are equal for the harmonics generated by different crystal momentum channels.The frequency shifts in the cutoff region are larger than those in the plateau region.With the increase of the absolute value of the chirp parameters,the frequency shifts of HHG become more significant,leading to the shifts from odd-to even-order harmonics.We also demonstrate that the frequency shifts of harmonic spectra are related to the duration of the chirped laser field,but are insensitive to the laser intensity and dephasing time.展开更多
A new oxidative N-heterocyclic carbene(NHC)-catalyzed high-order[7+3]annulation reaction ofγ-indolyl phenols as 1,7-dinucleophiles andα,β-alkynals with the aid of Sc(OTf)_(3)is reported,enabling the highly regiosel...A new oxidative N-heterocyclic carbene(NHC)-catalyzed high-order[7+3]annulation reaction ofγ-indolyl phenols as 1,7-dinucleophiles andα,β-alkynals with the aid of Sc(OTf)_(3)is reported,enabling the highly regioselective access to unprecedented polyarene-fused ten-membered lactams bearing a bridged aryl-aryl-indole scaffold in moderate to good yields.This protocol demonstrates a broad substrate scope,good compatibility with substituents and complete regioselectivity,providing an organocatalytic modular synthetic strategy for creating medium-sized lactams.展开更多
Thermal expansion is crucial for various industrial processes and is increasingly the focus of research endeavors aimed at improving material performance.However,it is the continuous advancements in first-principles c...Thermal expansion is crucial for various industrial processes and is increasingly the focus of research endeavors aimed at improving material performance.However,it is the continuous advancements in first-principles calculations that have enabled researchers to understand the microscopic origins of thermal expansion.In this study,we propose a coefficient of thermal expansion(CTE)calculation scheme based on self-consistent phonon theory,incorporating the fourth-order anharmonicity.We selected four structures(Si,CaZrF_(6),SrTiO_(3),NaBr)to investigate high-order anharmonicity’s impact on their CTEs,based on bonding types.The results indicate that our method goes beyond the second-order quasi-harmonic approximation and the third-order perturbation theory,aligning closely with experimental data.Furthermore,we observed that an increase in the ionicity of the structures leads to a more pronounced influence of high-order anharmonicity on CTE,with this effect primarily manifesting in variations of the Grüneisen parameter.Our research provides a theoretical foundation for accurately predicting and regulating the thermal expansion behavior of materials.展开更多
An efficient and accurate scalar auxiliary variable(SAV)scheme for numerically solving nonlinear parabolic integro-differential equation(PIDE)is developed in this paper.The original equation is first transformed into ...An efficient and accurate scalar auxiliary variable(SAV)scheme for numerically solving nonlinear parabolic integro-differential equation(PIDE)is developed in this paper.The original equation is first transformed into an equivalent system,and the k-order backward differentiation formula(BDF k)and central difference formula are used to discretize the temporal and spatial derivatives,respectively.Different from the traditional discrete method that adopts full implicit or full explicit for the nonlinear integral terms,the proposed scheme is based on the SAV idea and can be treated semi-implicitly,taking into account both accuracy and effectiveness.Numerical results are presented to demonstrate the high-order convergence(up to fourth-order)of the developed schemes and it is computationally efficient in long-time computations.展开更多
We present a comprehensive study on the role of various excited states in high-order harmonic generation of hydrogen atoms driven by a long-wavelength(1500 nm)laser field.By numerically solving the time-dependent Schr...We present a comprehensive study on the role of various excited states in high-order harmonic generation of hydrogen atoms driven by a long-wavelength(1500 nm)laser field.By numerically solving the time-dependent Schrodinger equation(TDSE)and performing a time-frequency analysis,we investigate the influence of individual excited states on the harmonic spectrum.Our results reveal that the 2s excited state primarily contributes to the enhancement of high-energy harmonic yields by facilitating long electron trajectories,while the 2p excited state predominantly suppresses harmonic yields in the lower-energy region(20th-50th orders)by altering the contributions of electron trajectories.Our results highlight the critical role of the excited states in the HHG process,even at longer laser wavelengths.展开更多
We performed real-time and real-space numerical simulations of high-order harmonic generation in the threedimensional structured molecule methane(CH_(4)) using time-dependent density functional theory. By irradiating ...We performed real-time and real-space numerical simulations of high-order harmonic generation in the threedimensional structured molecule methane(CH_(4)) using time-dependent density functional theory. By irradiating the methane molecule with an elliptically polarized laser pulse polarized in the x–y plane, we observed significant even-order harmonic emission in the z-direction. By analyzing the electron dynamics in the electric field and the multi-orbital effects of the molecule, we revealed that electron recombination near specific atoms in methane is the primary source of highorder harmonic generation in the z-direction. Furthermore, we identified the dominant molecular orbitals responsible for the enhancement of harmonics in this direction and demonstrated the critical role played by multi-orbital effects in this process.展开更多
The high-speed development of space defense technology demands a high state estimation capacity for spacecraft tracking methods.However,reentry flight is accompanied by complex flight environments,which brings to the ...The high-speed development of space defense technology demands a high state estimation capacity for spacecraft tracking methods.However,reentry flight is accompanied by complex flight environments,which brings to the uncertain,complex,and strongly coupled non-Gaussian detection noise.As a result,there are several intractable considerations on the problem of state estimation tasks corrupted by complex non-Gaussian outliers for non-linear dynamics systems in practical application.To address these issues,a new iterated rational quadratic(RQ)kernel high-order unscented Kalman filtering(IRQHUKF)algorithm via capturing the statistics to break through the limitations of the Gaussian assumption is proposed.Firstly,the characteristic analysis of the RQ kernel is investigated in detail,which is the first attempt to carry out an exploration of the heavy-tailed characteristic and the ability on capturing highorder moments of the RQ kernel.Subsequently,the RQ kernel method is first introduced into the UKF algorithm as an error optimization criterion,termed the iterated RQ kernel-UKF(RQ-UKF)algorithm by derived analytically,which not only retains the high-order moments propagation process but also enhances the approximation capacity in the non-Gaussian noise problem for its ability in capturing highorder moments and heavy-tailed characteristics.Meanwhile,to tackle the limitations of the Gaussian distribution assumption in the linearization process of the non-linear systems,the high-order Sigma Points(SP)as a subsidiary role in propagating the state high-order statistics is devised by the moments matching method to improve the RQ-UKF.Finally,to further improve the flexibility of the IRQ-HUKF algorithm in practical application,an adaptive kernel parameter is derived analytically grounded in the Kullback-Leibler divergence(KLD)method and parametric sensitivity analysis of the RQ kernel.The simulation results demonstrate that the novel IRQ-HUKF algorithm is more robust and outperforms the existing advanced UKF with respect to the kernel method in reentry vehicle tracking scenarios under various noise environments.展开更多
With the availability of high-performance computing technology and the development of advanced numerical simulation methods, Computational Fluid Dynamics (CFD) is becoming more and more practical and efficient in engi...With the availability of high-performance computing technology and the development of advanced numerical simulation methods, Computational Fluid Dynamics (CFD) is becoming more and more practical and efficient in engineering. As one of the high-precision representative algorithms, the high-order Discontinuous Galerkin Method (DGM) has not only attracted widespread attention from scholars in the CFD research community, but also received strong development. However, when DGM is extended to high-speed aerodynamic flow field calculations, non-physical numerical Gibbs oscillations near shock waves often significantly affect the numerical accuracy and even cause calculation failure. Data driven approaches based on machine learning techniques can be used to learn the characteristics of Gibbs noise, which motivates us to use it in high-speed DG applications. To achieve this goal, labeled data need to be generated in order to train the machine learning models. This paper proposes a new method for denoising modeling of Gibbs phenomenon using a machine learning technique, the zero-shot learning strategy, to eliminate acquiring large amounts of CFD data. The model adopts a graph convolutional network combined with graph attention mechanism to learn the denoising paradigm from synthetic Gibbs noise data and generalize to DGM numerical simulation data. Numerical simulation results show that the Gibbs denoising model proposed in this paper can suppress the numerical oscillation near shock waves in the high-order DGM. Our work automates the extension of DGM to high-speed aerodynamic flow field calculations with higher generalization and lower cost.展开更多
A high-order fully actuated(HOFA)control method is developed for underactuated mechanical systems(UMSs)with model uncertainties and external disturbances.First,a model transformation is made from the original to a pse...A high-order fully actuated(HOFA)control method is developed for underactuated mechanical systems(UMSs)with model uncertainties and external disturbances.First,a model transformation is made from the original to a pseudo strict-feedback form,and an HOFA model is established by using the method of variable elimination.Then,a group of high-order extended state observers(ESOs)are designed to deal with model uncertainties and external disturbances.The HOFA model is further classified and decomposed to achieve output constraints within a finite time range,and a barrier function is designed by combining with a shift function.Additionally,an ESO-based HOFA tracking control strategy for UMS is proposed.Finally,a manipulator model is used to verify the effectiveness of the proposed control strategy.展开更多
In the field of discretization-based meshfree/meshless methods,the improvements in the higher-order consistency,stability,and computational efficiency are of great concerns in computational science and numerical solut...In the field of discretization-based meshfree/meshless methods,the improvements in the higher-order consistency,stability,and computational efficiency are of great concerns in computational science and numerical solutions to partial differential equations.Various alternative numerical methods of the finite particle method(FPM)frame have been extended from mathematical theories to numerical applications separately.As a comprehensive numerical scheme,this study suggests a unified resolved program for numerically investigating their accuracy,stability,consistency,computational efficiency,and practical applicability in industrial engineering contexts.The high-order finite particle method(HFPM)and corrected methods based on the multivariate Taylor series expansion are constructed and analyzed to investigate the whole applicability in different benchmarks of computational fluid dynamics.Specifically,four benchmarks are designed purposefully from statical exact solutions to multifaceted hydrodynamic tests,which possess different numerical performances on the particle consistency,numerical discretized forms,particle distributions,and transient time evolutional stabilities.This study offers a numerical reference for the current unified resolved program.展开更多
Generally, FD coefficients can be obtained by using Taylor series expansion （TE） or optimization methods to minimize the dispersion error. However, the TE-based FD method only achieves high modeling precision over a...Generally, FD coefficients can be obtained by using Taylor series expansion （TE） or optimization methods to minimize the dispersion error. However, the TE-based FD method only achieves high modeling precision over a limited range of wavenumbers, and produces large numerical dispersion beyond this range. The optimal FD scheme based on least squares （LS） can guarantee high precision over a larger range of wavenumbers and obtain the best optimization solution at small computational cost. We extend the LS-based optimal FD scheme from two-dimensional （2D） forward modeling to three-dimensional （3D） and develop a 3D acoustic optimal FD method with high efficiency, wide range of high accuracy and adaptability to parallel computing. Dispersion analysis and forward modeling demonstrate that the developed FD method suppresses numerical dispersion. Finally, we use the developed FD method to source wavefield extrapolation and receiver wavefield extrapolation in 3D RTM. To decrease the computation time and storage requirements, the 3D RTM is implemented by combining the efficient boundary storage with checkpointing strategies on GPU. 3D RTM imaging results suggest that the 3D optimal FD method has higher precision than conventional methods.展开更多
To improve the accuracy of the conventional finite-difference method, finitedifference numerical modeling methods of any even-order accuracy are recommended. We introduce any even-order accuracy difference schemes of ...To improve the accuracy of the conventional finite-difference method, finitedifference numerical modeling methods of any even-order accuracy are recommended. We introduce any even-order accuracy difference schemes of any-order derivatives derived from Taylor series expansion. Then, a finite-difference numerical modeling method with any evenorder accuracy is utilized to simulate seismic wave propagation in two-phase anisotropic media. Results indicate that modeling accuracy improves with the increase of difference accuracy order number. It is essential to find the optimal order number, grid size, and time step to balance modeling precision and computational complexity. Four kinds of waves, static mode in the source point, SV wave cusps, reflection and transmission waves are observed in two-phase anisotropic media through modeling.展开更多
During seismic wave propagation on a free surface, a strong material contrast boundary develops in response to interference by P- and S- waves to create a surface-wave phenomenon. To accurately determine the effects o...During seismic wave propagation on a free surface, a strong material contrast boundary develops in response to interference by P- and S- waves to create a surface-wave phenomenon. To accurately determine the effects of this interface on surface-wave propagation, the boundary conditions must be accurately modeled. In this paper, we present a numerical approach based on the dynamic poroelasticity for a space–time-domain staggered-grid finite-difference simulation in porous media that contain a free-surface boundary. We propose a generalized stess mirror formulation of the free-surface boundary for solids and fluids in porous media for the grid mesh on which lays the free-surface plane. Its analog is that used for elastic media, which is suitable for precise and stable Rayleigh-type surface-wave modeling. The results of our analysis of first kind of Rayleigh （R1） waves obtained by this model demonstrate that the discretization of the mesh in a similar way to that for elastic media can realize stable numerical solutions with acceptable precision. We present numerical examples demonstrating the efficiency and accuracy of our proposed method.展开更多
The Runge-Kutta discontinuous Galerkin finite element method （RK-DGFEM） is introduced to solve the classical resonator problem in the time domain. DGFEM uses unstructured grid discretization in the space domain and ...The Runge-Kutta discontinuous Galerkin finite element method （RK-DGFEM） is introduced to solve the classical resonator problem in the time domain. DGFEM uses unstructured grid discretization in the space domain and it is explicit in the time domain. Consequently it is a best mixture of FEM and finite volume method （FVM）. RK-DGFEM can obtain local high-order accuracy by using high-order polynomial basis. Numerical experiments of transverse magnetic （TM） wave propagation in a 2-D resonator are performed. A high-order Lagrange polynomial basis is adopted. Numerical results agree well with analytical solution. And different order Lagrange interpolation polynomial basis impacts on simulation result accuracy are discussed. Computational results indicate that the accuracy is evidently improved when the order of interpolation basis is increased. Finally, L^2 errors of different order polynomial basis in RK-DGFEM are presented. Computational results show that L^2 error declines exponentially as the order of basis increases.展开更多
基金This research was supported by the National Nature Science Foundation of China （No. 41074100） and the Program for NewCentury Excellent Talents in the University of the Ministry of Education of China （No. NCET- 10-0812）.
文摘Prestack reverse time migration （RTM） is an accurate imaging method ofsubsurface media. The viscoacoustic prestack RTM is of practical significance because itconsiders the viscosity of the subsurface media. One of the steps of RTM is solving thewave equation and extrapolating the wave field forward and backward; therefore, solvingaccurately and efficiently the wave equation affects the imaging results and the efficiencyof RTM. In this study, we use the optimal time-space domain dispersion high-order finite-difference （FD） method to solve the viscoacoustic wave equation. Dispersion analysis andnumerical simulations show that the optimal time-space domain FD method is more accurateand suppresses the numerical dispersion. We use hybrid absorbing boundary conditions tohandle the boundary reflection. We also use source-normalized cross-correlation imagingconditions for migration and apply Laplace filtering to remove the low-frequency noise.Numerical modeling suggests that the viscoacoustic wave equation RTM has higher imagingresolution than the acoustic wave equation RTM when the viscosity of the subsurface isconsidered. In addition, for the wave field extrapolation, we use the adaptive variable-lengthFD operator to calculate the spatial derivatives and improve the computational efficiencywithout compromising the accuracy of the numerical solution.
基金Fund Project of Key Lab of Geophysical Exploration of China National Petroleum Corporation (GPR0408).
文摘The paper presents a staggered-grid any even-order accurate finite-difference scheme for two-dimensional (2D), three-component (3C), first-order stress-velocity elastic wave equation and its stability condition in the arbitrary tilt anisotropic media; and derives a perfectly matched absorbing layer (PML) boundary condition and its stag- gered-grid any even-order accurate difference scheme in the 2D arbitrary tilt anisotropic media. The results of nu- merical modeling indicate that the modeling precision is high, the calculation efficiency is satisfactory and the absorbing boundary condition is better. The wave-front shapes of elastic waves are complex in the anisotropic media, and the velocity of qP wave is not always faster than that of qS wave. The wave-front triplication of qS wave and its events in both reflected domain and propagated domain, which are not commonly hyperbola, is a common phenomenon. When the symmetry axis is tilted in the TI media, the phenomenon of S-wave splitting is clearly observed in the snaps of three components and synthetic seismograms, and the events of all kinds of waves are asymmetric.
基金supported by the National Natural Science Foundation of China(NSFC)(Grant No. 41074100)the Program for New Century Excellent Talents in University of Ministry of Education of China(Grant No. NCET-10-0812)
文摘In this paper, first we calculate finite-difference coefficients of implicit finite- difference methods （IFDM） for the first and second-order derivatives on normal grids and first- order derivatives on staggered grids and find that small coefficients of high-order IFDMs exist. Dispersion analysis demonstrates that omitting these small coefficients can retain approximately the same order accuracy but greatly reduce computational costs. Then, we introduce a mirrorimage symmetric boundary condition to improve IFDMs accuracy and stability and adopt the hybrid absorbing boundary condition （ABC） to reduce unwanted reflections from the model boundary. Last, we give elastic wave modeling examples for homogeneous and heterogeneous models to demonstrate the advantages of the proposed scheme.
基金supported by China Scholarship Council and partially by the National "863" Program of China under contract No. 2007AA06Z218.
文摘Finite-difference methods with high-order accuracy have been utilized to improve the precision of numerical solution for partial differential equations. However, the computation cost generally increases linearly with increased order of accuracy. Upon examination of the finite-difference formulas for the first-order and second-order derivatives, and the staggered finite-difference formulas for the first-order derivative, we examine the variation of finite-difference coefficients with accuracy order and note that there exist some very small coefficients. With the order increasing, the number of these small coefficients increases, however, the values decrease sharply. An error analysis demonstrates that omitting these small coefficients not only maintain approximately the same level of accuracy of finite difference but also reduce computational cost significantly. Moreover, it is easier to truncate for the high-order finite-difference formulas than for the pseudospectral for- mulas. Thus this study proposes a truncated high-order finite-difference method, and then demonstrates the efficiency and applicability of the method with some numerical examples.
基金supported by the National Natural Science Foundation of China(Grant Nos.60931002 and 61101064)the Universities Natural Science Foundation of Anhui Province,China(Grant Nos.KJ2011A002 and 1108085J01)
文摘The method of splitting a plane-wave finite-difference time-domain （SP-FDTD） algorithm is presented for the initiation of plane-wave source in the total-field / scattered-field （TF/SF） formulation of high-order symplectic finite- difference time-domain （SFDTD） scheme for the first time. By splitting the fields on one-dimensional grid and using the nature of numerical plane-wave in finite-difference time-domain （FDTD）, the identical dispersion relation can be obtained and proved between the one-dimensional and three-dimensional grids. An efficient plane-wave source is simulated on one-dimensional grid and a perfect match can be achieved for a plane-wave propagating at any angle forming an integer grid cell ratio. Numerical simulations show that the method is valid for SFDTD and the residual field in SF region is shrinked down to -300 dB.
基金partially supported by China National Major Science and Technology Project (Subproject No:2011ZX05024-001-03)
文摘In seismic exploration, it is common practice to separate the P-wavefield from the S-wavefield by the elastic wavefield decomposition technique, for imaging purposes. However, it is sometimes difficult to achieve this, especially when the velocity field is complex. A useful approach in multi-component analysis and modeling is to directly solve the elastic wave equations for the pure P- or S-wavefields, referred as the separate elastic wave equa- tions. In this study, we compare two kinds of such wave equations： the first-order （velocity-stress） and the second- order （displacement-stress） separate elastic wave equa- tions, with the first-order （velocity-stress） and the second- order （displacement-stress） full （or mixed） elastic wave equations using a high-order staggered grid finite-differ- ence method. Comparisons are given of wavefield snap- shots, common-source gather seismic sections, and individual synthetic seismogram. The simulation tests show that equivalent results can be obtained, regardless of whether the first-order or second-order separate elastic wave equations are used for obtaining the pure P- or S-wavefield. The stacked pure P- and S-wavefields are equal to the mixed wave fields calculated using the corre- sponding first-order or second-order full elastic wave equations. These mixed equations are computationallyslightly less expensive than solving the separate equations. The attraction of the separate equations is that they achieve separated P- and S-wavefields which can be used to test the efficacy of wave decomposition procedures in multi-com- ponent processing. The second-order separate elastic wave equations are a good choice because they offer information on the pure P-wave or S-wave displacements.
基金Project supported by the Natural Science Foundation of Jilin Province of China(Grant No.20230101014JC)the National Natural Science Foundation of China(Grant No.12374265)。
文摘We investigate theoretically the effects of chirped laser pulses on high-order harmonic generation(HHG)from solids.We find that the harmonic spectra display redshifts for the driving laser pulses with negative chirp and blueshifts for those with positive chirp,which is due to the change in the instantaneous frequency of the driving laser for different chirped pulses.The analysis of crystal-momentum-resolved(k-resolved)HHG reveals that the frequency shifts are equal for the harmonics generated by different crystal momentum channels.The frequency shifts in the cutoff region are larger than those in the plateau region.With the increase of the absolute value of the chirp parameters,the frequency shifts of HHG become more significant,leading to the shifts from odd-to even-order harmonics.We also demonstrate that the frequency shifts of harmonic spectra are related to the duration of the chirped laser field,but are insensitive to the laser intensity and dephasing time.
基金National Natural Science Foundation of China(Nos.21971090 and 22271123)the NSF of Jiangsu Province(No.BK20230201)+1 种基金the Natural Science Foundation of Jiangsu Education Committee(No.22KJB150024)the Natural Science Foundation of Jiangsu Normal University(No.21XSRX010)。
文摘A new oxidative N-heterocyclic carbene(NHC)-catalyzed high-order[7+3]annulation reaction ofγ-indolyl phenols as 1,7-dinucleophiles andα,β-alkynals with the aid of Sc(OTf)_(3)is reported,enabling the highly regioselective access to unprecedented polyarene-fused ten-membered lactams bearing a bridged aryl-aryl-indole scaffold in moderate to good yields.This protocol demonstrates a broad substrate scope,good compatibility with substituents and complete regioselectivity,providing an organocatalytic modular synthetic strategy for creating medium-sized lactams.
基金Project supported by the National Natural Science Foundation of China(Grant No.62125402).
文摘Thermal expansion is crucial for various industrial processes and is increasingly the focus of research endeavors aimed at improving material performance.However,it is the continuous advancements in first-principles calculations that have enabled researchers to understand the microscopic origins of thermal expansion.In this study,we propose a coefficient of thermal expansion(CTE)calculation scheme based on self-consistent phonon theory,incorporating the fourth-order anharmonicity.We selected four structures(Si,CaZrF_(6),SrTiO_(3),NaBr)to investigate high-order anharmonicity’s impact on their CTEs,based on bonding types.The results indicate that our method goes beyond the second-order quasi-harmonic approximation and the third-order perturbation theory,aligning closely with experimental data.Furthermore,we observed that an increase in the ionicity of the structures leads to a more pronounced influence of high-order anharmonicity on CTE,with this effect primarily manifesting in variations of the Grüneisen parameter.Our research provides a theoretical foundation for accurately predicting and regulating the thermal expansion behavior of materials.
基金Supported by the National Natural Science Foundation of China(Grant Nos.12001210 and 12261103)the Natural Science Foundation of Henan(Grant No.252300420308)the Yunnan Fundamental Research Projects(Grant No.202301AT070117).
文摘An efficient and accurate scalar auxiliary variable(SAV)scheme for numerically solving nonlinear parabolic integro-differential equation(PIDE)is developed in this paper.The original equation is first transformed into an equivalent system,and the k-order backward differentiation formula(BDF k)and central difference formula are used to discretize the temporal and spatial derivatives,respectively.Different from the traditional discrete method that adopts full implicit or full explicit for the nonlinear integral terms,the proposed scheme is based on the SAV idea and can be treated semi-implicitly,taking into account both accuracy and effectiveness.Numerical results are presented to demonstrate the high-order convergence(up to fourth-order)of the developed schemes and it is computationally efficient in long-time computations.
基金supported by the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi。
文摘We present a comprehensive study on the role of various excited states in high-order harmonic generation of hydrogen atoms driven by a long-wavelength(1500 nm)laser field.By numerically solving the time-dependent Schrodinger equation(TDSE)and performing a time-frequency analysis,we investigate the influence of individual excited states on the harmonic spectrum.Our results reveal that the 2s excited state primarily contributes to the enhancement of high-energy harmonic yields by facilitating long electron trajectories,while the 2p excited state predominantly suppresses harmonic yields in the lower-energy region(20th-50th orders)by altering the contributions of electron trajectories.Our results highlight the critical role of the excited states in the HHG process,even at longer laser wavelengths.
基金Project supported by the National Natural Science Foundation of China (Grant No. 12204214)the National Key Research and Development Program of China (Grant No. 2022YFE0134200)+1 种基金the Fundamental Research Funds for the Central Universities (Grant No. GK202207012), QCYRCXM-2022-241the Guangdong Basic and Applied Basic Research Foundation (Grant No. 2025A1515011117)。
文摘We performed real-time and real-space numerical simulations of high-order harmonic generation in the threedimensional structured molecule methane(CH_(4)) using time-dependent density functional theory. By irradiating the methane molecule with an elliptically polarized laser pulse polarized in the x–y plane, we observed significant even-order harmonic emission in the z-direction. By analyzing the electron dynamics in the electric field and the multi-orbital effects of the molecule, we revealed that electron recombination near specific atoms in methane is the primary source of highorder harmonic generation in the z-direction. Furthermore, we identified the dominant molecular orbitals responsible for the enhancement of harmonics in this direction and demonstrated the critical role played by multi-orbital effects in this process.
基金supported by the National Natural Science Foundation of China under Grant No.12072090.
文摘The high-speed development of space defense technology demands a high state estimation capacity for spacecraft tracking methods.However,reentry flight is accompanied by complex flight environments,which brings to the uncertain,complex,and strongly coupled non-Gaussian detection noise.As a result,there are several intractable considerations on the problem of state estimation tasks corrupted by complex non-Gaussian outliers for non-linear dynamics systems in practical application.To address these issues,a new iterated rational quadratic(RQ)kernel high-order unscented Kalman filtering(IRQHUKF)algorithm via capturing the statistics to break through the limitations of the Gaussian assumption is proposed.Firstly,the characteristic analysis of the RQ kernel is investigated in detail,which is the first attempt to carry out an exploration of the heavy-tailed characteristic and the ability on capturing highorder moments of the RQ kernel.Subsequently,the RQ kernel method is first introduced into the UKF algorithm as an error optimization criterion,termed the iterated RQ kernel-UKF(RQ-UKF)algorithm by derived analytically,which not only retains the high-order moments propagation process but also enhances the approximation capacity in the non-Gaussian noise problem for its ability in capturing highorder moments and heavy-tailed characteristics.Meanwhile,to tackle the limitations of the Gaussian distribution assumption in the linearization process of the non-linear systems,the high-order Sigma Points(SP)as a subsidiary role in propagating the state high-order statistics is devised by the moments matching method to improve the RQ-UKF.Finally,to further improve the flexibility of the IRQ-HUKF algorithm in practical application,an adaptive kernel parameter is derived analytically grounded in the Kullback-Leibler divergence(KLD)method and parametric sensitivity analysis of the RQ kernel.The simulation results demonstrate that the novel IRQ-HUKF algorithm is more robust and outperforms the existing advanced UKF with respect to the kernel method in reentry vehicle tracking scenarios under various noise environments.
基金co-supported by the Aeronautical Science Foundation of China(Nos.2018ZA52002,2019ZA052011).
文摘With the availability of high-performance computing technology and the development of advanced numerical simulation methods, Computational Fluid Dynamics (CFD) is becoming more and more practical and efficient in engineering. As one of the high-precision representative algorithms, the high-order Discontinuous Galerkin Method (DGM) has not only attracted widespread attention from scholars in the CFD research community, but also received strong development. However, when DGM is extended to high-speed aerodynamic flow field calculations, non-physical numerical Gibbs oscillations near shock waves often significantly affect the numerical accuracy and even cause calculation failure. Data driven approaches based on machine learning techniques can be used to learn the characteristics of Gibbs noise, which motivates us to use it in high-speed DG applications. To achieve this goal, labeled data need to be generated in order to train the machine learning models. This paper proposes a new method for denoising modeling of Gibbs phenomenon using a machine learning technique, the zero-shot learning strategy, to eliminate acquiring large amounts of CFD data. The model adopts a graph convolutional network combined with graph attention mechanism to learn the denoising paradigm from synthetic Gibbs noise data and generalize to DGM numerical simulation data. Numerical simulation results show that the Gibbs denoising model proposed in this paper can suppress the numerical oscillation near shock waves in the high-order DGM. Our work automates the extension of DGM to high-speed aerodynamic flow field calculations with higher generalization and lower cost.
基金supported in part by the National Natural Science Foundation of China(62373208,62033003,62273105,U191140)Taishan Scholar Program of Shandong Province of China(tsqn202306218)+1 种基金the National Key Research and Development Program of China(2022YFB4703100)the National Natural Science Foundation of Shandong Province(ZR2024YQ032).
文摘A high-order fully actuated(HOFA)control method is developed for underactuated mechanical systems(UMSs)with model uncertainties and external disturbances.First,a model transformation is made from the original to a pseudo strict-feedback form,and an HOFA model is established by using the method of variable elimination.Then,a group of high-order extended state observers(ESOs)are designed to deal with model uncertainties and external disturbances.The HOFA model is further classified and decomposed to achieve output constraints within a finite time range,and a barrier function is designed by combining with a shift function.Additionally,an ESO-based HOFA tracking control strategy for UMS is proposed.Finally,a manipulator model is used to verify the effectiveness of the proposed control strategy.
基金supported by the National Natural Science Foundation of China(No.12002290)。
文摘In the field of discretization-based meshfree/meshless methods,the improvements in the higher-order consistency,stability,and computational efficiency are of great concerns in computational science and numerical solutions to partial differential equations.Various alternative numerical methods of the finite particle method(FPM)frame have been extended from mathematical theories to numerical applications separately.As a comprehensive numerical scheme,this study suggests a unified resolved program for numerically investigating their accuracy,stability,consistency,computational efficiency,and practical applicability in industrial engineering contexts.The high-order finite particle method(HFPM)and corrected methods based on the multivariate Taylor series expansion are constructed and analyzed to investigate the whole applicability in different benchmarks of computational fluid dynamics.Specifically,four benchmarks are designed purposefully from statical exact solutions to multifaceted hydrodynamic tests,which possess different numerical performances on the particle consistency,numerical discretized forms,particle distributions,and transient time evolutional stabilities.This study offers a numerical reference for the current unified resolved program.
基金supported by the National Natural Science Foundation of China(No.41474110)Shell Ph.D. Scholarship to support excellence in geophysical research
文摘Generally, FD coefficients can be obtained by using Taylor series expansion （TE） or optimization methods to minimize the dispersion error. However, the TE-based FD method only achieves high modeling precision over a limited range of wavenumbers, and produces large numerical dispersion beyond this range. The optimal FD scheme based on least squares （LS） can guarantee high precision over a larger range of wavenumbers and obtain the best optimization solution at small computational cost. We extend the LS-based optimal FD scheme from two-dimensional （2D） forward modeling to three-dimensional （3D） and develop a 3D acoustic optimal FD method with high efficiency, wide range of high accuracy and adaptability to parallel computing. Dispersion analysis and forward modeling demonstrate that the developed FD method suppresses numerical dispersion. Finally, we use the developed FD method to source wavefield extrapolation and receiver wavefield extrapolation in 3D RTM. To decrease the computation time and storage requirements, the 3D RTM is implemented by combining the efficient boundary storage with checkpointing strategies on GPU. 3D RTM imaging results suggest that the 3D optimal FD method has higher precision than conventional methods.
文摘To improve the accuracy of the conventional finite-difference method, finitedifference numerical modeling methods of any even-order accuracy are recommended. We introduce any even-order accuracy difference schemes of any-order derivatives derived from Taylor series expansion. Then, a finite-difference numerical modeling method with any evenorder accuracy is utilized to simulate seismic wave propagation in two-phase anisotropic media. Results indicate that modeling accuracy improves with the increase of difference accuracy order number. It is essential to find the optimal order number, grid size, and time step to balance modeling precision and computational complexity. Four kinds of waves, static mode in the source point, SV wave cusps, reflection and transmission waves are observed in two-phase anisotropic media through modeling.
基金sponsed by National Natural Science Foundation of China(NSFC,Grant No.41304077)the Natural Basic Research Program of China(the“973 Project,”Grant No.2013CB733303)Postdoctoral Science Foundation of China(Grant No.2014T70740)
文摘During seismic wave propagation on a free surface, a strong material contrast boundary develops in response to interference by P- and S- waves to create a surface-wave phenomenon. To accurately determine the effects of this interface on surface-wave propagation, the boundary conditions must be accurately modeled. In this paper, we present a numerical approach based on the dynamic poroelasticity for a space–time-domain staggered-grid finite-difference simulation in porous media that contain a free-surface boundary. We propose a generalized stess mirror formulation of the free-surface boundary for solids and fluids in porous media for the grid mesh on which lays the free-surface plane. Its analog is that used for elastic media, which is suitable for precise and stable Rayleigh-type surface-wave modeling. The results of our analysis of first kind of Rayleigh （R1） waves obtained by this model demonstrate that the discretization of the mesh in a similar way to that for elastic media can realize stable numerical solutions with acceptable precision. We present numerical examples demonstrating the efficiency and accuracy of our proposed method.
文摘The Runge-Kutta discontinuous Galerkin finite element method （RK-DGFEM） is introduced to solve the classical resonator problem in the time domain. DGFEM uses unstructured grid discretization in the space domain and it is explicit in the time domain. Consequently it is a best mixture of FEM and finite volume method （FVM）. RK-DGFEM can obtain local high-order accuracy by using high-order polynomial basis. Numerical experiments of transverse magnetic （TM） wave propagation in a 2-D resonator are performed. A high-order Lagrange polynomial basis is adopted. Numerical results agree well with analytical solution. And different order Lagrange interpolation polynomial basis impacts on simulation result accuracy are discussed. Computational results indicate that the accuracy is evidently improved when the order of interpolation basis is increased. Finally, L^2 errors of different order polynomial basis in RK-DGFEM are presented. Computational results show that L^2 error declines exponentially as the order of basis increases.
