A high-order accuracy explicit difference scheme for solving 4-dimensional heatconduction equation is constructed. The stability condition is r = △t/△x^2 = △t/△y^2 = △t/△z^2 = △t/△w^2 〈 3/8, and the truncatio...A high-order accuracy explicit difference scheme for solving 4-dimensional heatconduction equation is constructed. The stability condition is r = △t/△x^2 = △t/△y^2 = △t/△z^2 = △t/△w^2 〈 3/8, and the truncation error is O（△t^2 ＋ △x^4）.展开更多
A family of high-order accuracy explict difference schemes for solving 3-dimension parabolic P. D. E. is constructed. The stability condition is r = Deltat/Deltax(2) Deltat/Deltay(2) = Deltat/Deltaz(2) < 1/2 ,and t...A family of high-order accuracy explict difference schemes for solving 3-dimension parabolic P. D. E. is constructed. The stability condition is r = Deltat/Deltax(2) Deltat/Deltay(2) = Deltat/Deltaz(2) < 1/2 ,and the truncation error is 0(<Delta>t(2) + Deltax(4)).展开更多
In this paper, a new three-level explicit difference scheme with high-order accuracy is proposed for solving three-dimensional parabolic equations. The stability condition is r = Delta t/Delta x(2) = Delta t/Delta gam...In this paper, a new three-level explicit difference scheme with high-order accuracy is proposed for solving three-dimensional parabolic equations. The stability condition is r = Delta t/Delta x(2) = Delta t/Delta gamma(2) = Delta t/Delta z(2) less than or equal to 1/4, and the truncation error is O(Delta t(2) + Delta x(4)).展开更多
High-precision optical frequency measurement serves as a cornerstone of modern science and technology,enabling advancements in fields ranging from fundamental physics to quantum information technologies.Obtaining prec...High-precision optical frequency measurement serves as a cornerstone of modern science and technology,enabling advancements in fields ranging from fundamental physics to quantum information technologies.Obtaining precise photon frequencies,especially in the ultraviolet or even extreme ultraviolet regimes,is a key goal in both light–matter interaction experiments and engineering applications.High-order harmonic generation(HHG)is an ideal light source for producing such photons.In this work,we propose an optical temporal interference model(OTIM)that establishes an analogy with multi-slit Fraunhofer diffraction(MSFD)to manipulate fine-frequency photon generation by exploiting the temporal coherence of HHG processes.Our model provides a unified physical framework for three distinct non-integer HHG generation schemes:single-pulse,shaped-pulse,and laser pulse train approaches,which correspond to single-MSFD-like,double-MSFD-like,and multi-MSFD-like processes,respectively.Arbitrary non-integer HHG photons can be obtained using our scheme.Our approach provides a new perspective for accurately measuring and controlling photon frequencies in fields such as frequency comb technology,interferometry,and atomic clocks.展开更多
The high-order deformation effects in even-even^(246,248)No are investigated by means of pairing self-consistent WoodsSaxon-Strutinsky calculations using the potential-energy-surface(PES)approach in an extended deform...The high-order deformation effects in even-even^(246,248)No are investigated by means of pairing self-consistent WoodsSaxon-Strutinsky calculations using the potential-energy-surface(PES)approach in an extended deformation space(β_(2),β_(3),β_(4),β_(5),β_(6),β_(7),β_(8)).Based on the calculated two-dimensional projected energy maps and different potential energy curves,we found that the highly even-order deformations have an important impact on both the fission trajectory and energy minima,while the odd-order deformations,accompanying the even-order ones,primarily affect the fission path beyond the second barrier.Relative to the light actinide nuclei,the nuclear ground state changes to the superdeformed configuration,but the normally deformed minimum,as the low-energy shape isomer,may still be primarily responsible for enhancing nuclear stability and ensuring experimental accessibility in^(246,248)No.Our present investigation indicates the nonnegligible impact of high-order deformation effects along the fission valley and will be helpful for deepening the understanding of different deformation effects and deformation couplings in nuclei,especially in this neutron-deficient heavy-mass region.展开更多
This paper deals with the numerical solutions of two-dimensional(2D)semi-linear reaction-diffusion equations(SLRDEs)with piecewise continuous argument(PCA)in reaction term.A high-order compact difference method called...This paper deals with the numerical solutions of two-dimensional(2D)semi-linear reaction-diffusion equations(SLRDEs)with piecewise continuous argument(PCA)in reaction term.A high-order compact difference method called Ⅰ-type basic scheme is developed for solving the equations and it is proved under the suitable conditions that this method has the computational accuracy O(τ^(2)+h_(x)^(4)+h_(y)^(4)),where τ,h_(x )and h_(y) are the calculation stepsizes of the method in t-,x-and y-direction,respectively.With the above method and Newton linearized technique,a Ⅱ-type basic scheme is also suggested.Based on the both basic schemes,the corresponding Ⅰ-and Ⅱ-type alternating direction implicit(ADI)schemes are derived.Finally,with a series of numerical experiments,the computational accuracy and efficiency of the four numerical schemes are further illustrated.展开更多
We theoretically investigate the high-order harmonic generation(HHG)of defect-free solids by solving the timedependent Schrodinger equation(TDSE).The results show that the harmonic intensity can be enhanced,harmonic o...We theoretically investigate the high-order harmonic generation(HHG)of defect-free solids by solving the timedependent Schrodinger equation(TDSE).The results show that the harmonic intensity can be enhanced,harmonic order can be extended,and modulation near the cutoff order becomes smaller for the second plateau by increasing the time delay.These effects are due to an increase of the electron population in higher energy bands,where the larger band gap allows electrons to release more energy,and the long electronic paths are suppressed.Additionally,we also investigate the HHG of defective solids by Bohmian trajectories(BT).It is found that the harmonic intensity of the second plateau can be further enhanced.Simultaneously,cutoff order is also extended due to Bohmian particles moving farther away from the defective zone.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
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
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 this paper,an efficient numerical method for solving the general fractional diffusion equations with Riesz fractional derivative is proposed by combining the fractional compact difference operator and the boundary ...In this paper,an efficient numerical method for solving the general fractional diffusion equations with Riesz fractional derivative is proposed by combining the fractional compact difference operator and the boundary value methods.In order to efficiently solve the generated linear large-scale system,the generalized minimal residual(GMRES)algorithm is applied.For accelerating the convergence rate of the it erative,the St rang-type,Chantype and P-type preconditioners are introduced.The suggested met hod can reach higher order accuracy both in space and in time than the existing met hods.When the used boundary value method is Ak1,K2-stable,it is proven that Strang-type preconditioner is invertible and the spectra of preconditioned matrix is clustered around 1.It implies that the iterative solution is convergent rapidly.Numerical experiments with the absorbing boundary condition and the generalized Dirichlet type further verify the efficiency.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
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
基金NSF of the Education Department of Henan Province(20031100010)
文摘A high-order accuracy explicit difference scheme for solving 4-dimensional heatconduction equation is constructed. The stability condition is r = △t/△x^2 = △t/△y^2 = △t/△z^2 = △t/△w^2 〈 3/8, and the truncation error is O（△t^2 ＋ △x^4）.
文摘A family of high-order accuracy explict difference schemes for solving 3-dimension parabolic P. D. E. is constructed. The stability condition is r = Deltat/Deltax(2) Deltat/Deltay(2) = Deltat/Deltaz(2) < 1/2 ,and the truncation error is 0(<Delta>t(2) + Deltax(4)).
文摘In this paper, a new three-level explicit difference scheme with high-order accuracy is proposed for solving three-dimensional parabolic equations. The stability condition is r = Delta t/Delta x(2) = Delta t/Delta gamma(2) = Delta t/Delta z(2) less than or equal to 1/4, and the truncation error is O(Delta t(2) + Delta x(4)).
基金supported by the National Natural Science Foundation of China(Grant No.12304379)the Natural Science Foundation of Liaoning Province(Grant No.2024BS-269)the Guangdong Basic and Applied Basic Research Foundation(Grant No.025A1515011117)。
文摘High-precision optical frequency measurement serves as a cornerstone of modern science and technology,enabling advancements in fields ranging from fundamental physics to quantum information technologies.Obtaining precise photon frequencies,especially in the ultraviolet or even extreme ultraviolet regimes,is a key goal in both light–matter interaction experiments and engineering applications.High-order harmonic generation(HHG)is an ideal light source for producing such photons.In this work,we propose an optical temporal interference model(OTIM)that establishes an analogy with multi-slit Fraunhofer diffraction(MSFD)to manipulate fine-frequency photon generation by exploiting the temporal coherence of HHG processes.Our model provides a unified physical framework for three distinct non-integer HHG generation schemes:single-pulse,shaped-pulse,and laser pulse train approaches,which correspond to single-MSFD-like,double-MSFD-like,and multi-MSFD-like processes,respectively.Arbitrary non-integer HHG photons can be obtained using our scheme.Our approach provides a new perspective for accurately measuring and controlling photon frequencies in fields such as frequency comb technology,interferometry,and atomic clocks.
基金supported by the Natural Science Foundation of Henan Province(No.252300421478)the National Natural Science Foundation of China(Nos.11975209,U2032211,12075287)。
文摘The high-order deformation effects in even-even^(246,248)No are investigated by means of pairing self-consistent WoodsSaxon-Strutinsky calculations using the potential-energy-surface(PES)approach in an extended deformation space(β_(2),β_(3),β_(4),β_(5),β_(6),β_(7),β_(8)).Based on the calculated two-dimensional projected energy maps and different potential energy curves,we found that the highly even-order deformations have an important impact on both the fission trajectory and energy minima,while the odd-order deformations,accompanying the even-order ones,primarily affect the fission path beyond the second barrier.Relative to the light actinide nuclei,the nuclear ground state changes to the superdeformed configuration,but the normally deformed minimum,as the low-energy shape isomer,may still be primarily responsible for enhancing nuclear stability and ensuring experimental accessibility in^(246,248)No.Our present investigation indicates the nonnegligible impact of high-order deformation effects along the fission valley and will be helpful for deepening the understanding of different deformation effects and deformation couplings in nuclei,especially in this neutron-deficient heavy-mass region.
文摘This paper deals with the numerical solutions of two-dimensional(2D)semi-linear reaction-diffusion equations(SLRDEs)with piecewise continuous argument(PCA)in reaction term.A high-order compact difference method called Ⅰ-type basic scheme is developed for solving the equations and it is proved under the suitable conditions that this method has the computational accuracy O(τ^(2)+h_(x)^(4)+h_(y)^(4)),where τ,h_(x )and h_(y) are the calculation stepsizes of the method in t-,x-and y-direction,respectively.With the above method and Newton linearized technique,a Ⅱ-type basic scheme is also suggested.Based on the both basic schemes,the corresponding Ⅰ-and Ⅱ-type alternating direction implicit(ADI)schemes are derived.Finally,with a series of numerical experiments,the computational accuracy and efficiency of the four numerical schemes are further illustrated.
基金supported by the Natural Science Foundation of Jilin Province of China(Grant No.20230101014JC)the Fundamental Research Funds for the Central Universities(Grant No.2572021BC05)the National Natural Science Foundation of China(Grant No.12374265)。
文摘We theoretically investigate the high-order harmonic generation(HHG)of defect-free solids by solving the timedependent Schrodinger equation(TDSE).The results show that the harmonic intensity can be enhanced,harmonic order can be extended,and modulation near the cutoff order becomes smaller for the second plateau by increasing the time delay.These effects are due to an increase of the electron population in higher energy bands,where the larger band gap allows electrons to release more energy,and the long electronic paths are suppressed.Additionally,we also investigate the HHG of defective solids by Bohmian trajectories(BT).It is found that the harmonic intensity of the second plateau can be further enhanced.Simultaneously,cutoff order is also extended due to Bohmian particles moving farther away from the defective zone.
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 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National Natural Science Foundation of China under grants 11801389 and 11571128.
文摘In this paper,an efficient numerical method for solving the general fractional diffusion equations with Riesz fractional derivative is proposed by combining the fractional compact difference operator and the boundary value methods.In order to efficiently solve the generated linear large-scale system,the generalized minimal residual(GMRES)algorithm is applied.For accelerating the convergence rate of the it erative,the St rang-type,Chantype and P-type preconditioners are introduced.The suggested met hod can reach higher order accuracy both in space and in time than the existing met hods.When the used boundary value method is Ak1,K2-stable,it is proven that Strang-type preconditioner is invertible and the spectra of preconditioned matrix is clustered around 1.It implies that the iterative solution is convergent rapidly.Numerical experiments with the absorbing boundary condition and the generalized Dirichlet type further verify the efficiency.
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(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.
