In this paper, a family of high-order compact finite difference methods in combination preconditioned methods are used for solution of the Diffusion-Convection equation. We developed numerical methods by replacing the...In this paper, a family of high-order compact finite difference methods in combination preconditioned methods are used for solution of the Diffusion-Convection equation. We developed numerical methods by replacing the time and space derivatives by compact finite-difference approximations. The system of resulting nonlinear finite difference equations are solved by preconditioned Krylov subspace methods. Numerical results are given to verify the behavior of high-order compact approximations in combination preconditioned methods for stability, convergence. Also, the accuracy and efficiency of the proposed scheme are considered.展开更多
In this paper,we construct a power type functional which is the approximation functional of the Singular Trudinger-Moser functional.Moreover,we obtain the concentration level of the functional and show it converges to...In this paper,we construct a power type functional which is the approximation functional of the Singular Trudinger-Moser functional.Moreover,we obtain the concentration level of the functional and show it converges to the concentration level of singular Trudinger-Moser functional on the unit ball.展开更多
Theoretical analysis has demonstrated that the dispersion relation of chorus waves plays an essential role in the resonant interaction and energy transformation between the waves and magnetospheric electrons.Previous ...Theoretical analysis has demonstrated that the dispersion relation of chorus waves plays an essential role in the resonant interaction and energy transformation between the waves and magnetospheric electrons.Previous quantitative analyses often simplified the chorus dispersion relation by using the cold plasma assumption.However,the applicability of the cold plasma assumption is doubtful,especially during geomagnetic disturbances.We here present a systematic statistical analysis on the validity of the cold plasma dispersion relation of chorus waves based on observations from the Van Allen Probes over the period from 2012 to 2018.The statistical results show that the observed magnetic field intensities deviate substantially from those calculated from the cold plasma dispersion relation and that they become more pronounced with an increase in geomagnetic activity or a decrease in background plasma density.The region with large deviations is mainly concentrated in the nightside and expands in both the radial and azimuthal directions as the geomagnetic activity increases or the background plasma density decreases.In addition,the bounce-averaged electron scattering rates are computed by using the observed and cold plasma dispersion relation of chorus waves.Compared with usage of the cold plasma dispersion relation,usage of the observed dispersion relation considerably lowers the minimum resonant energy of electrons and lowers the scattering rates of electrons above tens of kiloelectronvolts but enhances those below.Furthermore,these differences are more pronounced with the enhancement of geomagnetic activity or the decrease in background plasma density.展开更多
Suppose thatλ_(1),λ_(2),λ_(3),λ_(4),λ_(5)are nonzero real numbers,not all of the same sign,andλ_(1)/λ_(2)is irrational and algebraic.Let V be a well-spaced sequence,δ>0.In this paper,it is proved that,for ...Suppose thatλ_(1),λ_(2),λ_(3),λ_(4),λ_(5)are nonzero real numbers,not all of the same sign,andλ_(1)/λ_(2)is irrational and algebraic.Let V be a well-spaced sequence,δ>0.In this paper,it is proved that,for anyε>0,the number of v∈V with v≤N such that the following inequality|λ_(1)p_(1)~2+λ_(2)p_(2)~2+λ_(3)p_(3)~4+λ_(4)p_(4)~4+λ_5p_5~4-v|<v^(-δ)has no solution in prime variables p_(1),p_(2),p_(3),p_(4),p_(5)does not exceed O(N^(29/32+2δ+ε)).展开更多
This paper studies the Smoluchowski–Kramers approximation for a discrete-time dynamical system modeled as the motion of a particle in a force field.We show that the approximation holds for the drift-implicit Euler–M...This paper studies the Smoluchowski–Kramers approximation for a discrete-time dynamical system modeled as the motion of a particle in a force field.We show that the approximation holds for the drift-implicit Euler–Maruyama discretization and derive its convergence rate.In particular,the solution of the discretized system converges to the solution of the first-order limit equation in the mean-square sense,and this convergence is independent of the order in which the mass parameterμand the step size h tend to zero.展开更多
We theoretically investigate the high-order harmonic generation(HHG)of defect-free solids by solving the timedependent Schr¨odinger equation(TDSE).The results show that the harmonic intensity can be enhanced,harm...We theoretically investigate the high-order harmonic generation(HHG)of defect-free solids by solving the timedependent Schr¨odinger 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
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
With the growing demand for compute-intensive applications such as artificial intelligence(AI)and video processing,traditional reconfigurable array processors fail to meet the requirements of high-performance computin...With the growing demand for compute-intensive applications such as artificial intelligence(AI)and video processing,traditional reconfigurable array processors fail to meet the requirements of high-performance computing and related domains,primarily due to their high power consumption and low energy efficiency.To address this limitation,this paper proposes an accuracy-adaptive approxi-mate reconfigurable array architecture featuring preset dual thresholds and support for four computa-tional accuracy levels,enabling flexible adaptation to diverse application needs.The architecture in-tegrates a self-adaptive mechanism that dynamically adjusts computational precision based on real-time error threshold feedback.To evaluate the proposed architecture,the you only look once version 5(YOLOv5)deep neural network algorithm is parallelized and deployed on the approximate recon-figurable array.Experimental results demonstrate that the architecture achieves an 18.93%reduc-tion in power consumption compared with conventional reconfigurable structures operating in full-pre-cision mode.Additionally,the design exhibits superior energy efficiency and reduced computational resource utilization,thereby significantly enhancing the overall performance and applicability of reconfigurable array processors in power-sensitive scenarios.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
In the present paper,we obtain the converse results of approximation of a newly introduced genuine Bernstein-Durrmeyer operators in movable interval.We also get the moments properties of an auxiliary operator which ha...In the present paper,we obtain the converse results of approximation of a newly introduced genuine Bernstein-Durrmeyer operators in movable interval.We also get the moments properties of an auxiliary operator which has its own independent values.The moments of the auxiliary operators play important roles in establishing the main result(Theorem 4).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
The reuse of green sand in casting production is hindered by the accumulation of oolitic deposits,primarily composed of clay binder with surface degradation,which may adversely affect the the moulding sand performance...The reuse of green sand in casting production is hindered by the accumulation of oolitic deposits,primarily composed of clay binder with surface degradation,which may adversely affect the the moulding sand performance.Currently,there is a lack of standardized methods for quantifying the oolitic content.Accurate measurement of oolitic content is of great significance to the reuse of green sand.Attempts to determine oolitic content using potassium hydroxide(KOH)and phosphoric acid(H_(3)PO_(4))methods encounter challenges due to their excessive reactions with SiO_(2) in the sand.In this study,an improved method for measuring the oolitic content of green sand with repeated approximations was proposed.This method judges the chemical activity of the sample surface through the change of its mass to accurately obtain the mass of the reaction oolitic deposits.The test result of the used sand samples from the foundry shows that the oolitic deposits are completely removed after reacting with KOH solution three times at 300℃ for 20 min.SEM and EDS also show that after three times of reactions,the surface of green sand becomes smooth and the content of Al-containing oolitic deposits is very low.This indicates that the method can accurately control the extent of the reaction.Implementation of this method at Huangshi Dongbei Casting Co.,Ltd.has yielded consistent and reliable test results,effectively mirroring variations in green sand oolitic content on the production line.This new method is expected to be widely adopted to improve the efficiency and quality of reused green sand in casting operations.展开更多
Virtual coupling is a novel technology that enables trains to run closely together without physical connections through communication and automation systems.The paper addresses an adaptive polynomial approximation alg...Virtual coupling is a novel technology that enables trains to run closely together without physical connections through communication and automation systems.The paper addresses an adaptive polynomial approximation algorithm for the cooperative control of high-speed trains(HSTs)under virtual coupling.It aims to solve the cooperative tracking control problem of HST formation operations under various scenarios,including known and unknown parameters.To enable the HST formation system to achieve cooperative operation while ensuring an appropriate spacing distance,the tracking errors of displacement and speed throughout the entire operation converge to zero.The proposed control strategy focuses on adopting polynomial approximation to handle unknown parameters,which are estimated via adaptive laws.Additionally,the unknown parameters of the HSTs are estimated online through adaptive laws.Experimental results verify the effectiveness of this method.展开更多
Determining the minimal distance between the target state and the convex combination of given states is a fundamental problem in quantum resource theory,offering critical guidance for experimental implementations.In t...Determining the minimal distance between the target state and the convex combination of given states is a fundamental problem in quantum resource theory,offering critical guidance for experimental implementations.In this paper,we embark on an in-depth exploration of the use of a quantum state prepared by the convex combination of given qubit states to optimally approximate the l_(1)-norm of coherence of the target quantum state,striving to make the prepared state and the target state as similar as possible.Here,we present the analytical solution for the optimal distance for any N given quantum states.We find that the optimal approximation problem for any N>4 quantum states can be transformed into an optimal approximation problem for no more than four quantum states,which not only significantly streamlines the problem but also proves advantageous for laboratories in terms of material conservation.Ultimately,a one-to-one comparison between the analytical and numerical solutions verifies the effectiveness of our approach.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
文摘In this paper, a family of high-order compact finite difference methods in combination preconditioned methods are used for solution of the Diffusion-Convection equation. We developed numerical methods by replacing the time and space derivatives by compact finite-difference approximations. The system of resulting nonlinear finite difference equations are solved by preconditioned Krylov subspace methods. Numerical results are given to verify the behavior of high-order compact approximations in combination preconditioned methods for stability, convergence. Also, the accuracy and efficiency of the proposed scheme are considered.
文摘In this paper,we construct a power type functional which is the approximation functional of the Singular Trudinger-Moser functional.Moreover,we obtain the concentration level of the functional and show it converges to the concentration level of singular Trudinger-Moser functional on the unit ball.
基金supported by the National Natural Science Foundation of China (NSFC) through Grant Number 42074193
文摘Theoretical analysis has demonstrated that the dispersion relation of chorus waves plays an essential role in the resonant interaction and energy transformation between the waves and magnetospheric electrons.Previous quantitative analyses often simplified the chorus dispersion relation by using the cold plasma assumption.However,the applicability of the cold plasma assumption is doubtful,especially during geomagnetic disturbances.We here present a systematic statistical analysis on the validity of the cold plasma dispersion relation of chorus waves based on observations from the Van Allen Probes over the period from 2012 to 2018.The statistical results show that the observed magnetic field intensities deviate substantially from those calculated from the cold plasma dispersion relation and that they become more pronounced with an increase in geomagnetic activity or a decrease in background plasma density.The region with large deviations is mainly concentrated in the nightside and expands in both the radial and azimuthal directions as the geomagnetic activity increases or the background plasma density decreases.In addition,the bounce-averaged electron scattering rates are computed by using the observed and cold plasma dispersion relation of chorus waves.Compared with usage of the cold plasma dispersion relation,usage of the observed dispersion relation considerably lowers the minimum resonant energy of electrons and lowers the scattering rates of electrons above tens of kiloelectronvolts but enhances those below.Furthermore,these differences are more pronounced with the enhancement of geomagnetic activity or the decrease in background plasma density.
基金Supported by NSFC(Nos.12301006,12471009,12071238,11901566,12001047,11971476)Beijing Natural Science Foundation(No.1242003)。
文摘Suppose thatλ_(1),λ_(2),λ_(3),λ_(4),λ_(5)are nonzero real numbers,not all of the same sign,andλ_(1)/λ_(2)is irrational and algebraic.Let V be a well-spaced sequence,δ>0.In this paper,it is proved that,for anyε>0,the number of v∈V with v≤N such that the following inequality|λ_(1)p_(1)~2+λ_(2)p_(2)~2+λ_(3)p_(3)~4+λ_(4)p_(4)~4+λ_5p_5~4-v|<v^(-δ)has no solution in prime variables p_(1),p_(2),p_(3),p_(4),p_(5)does not exceed O(N^(29/32+2δ+ε)).
基金supported by the PhD Research Startup Foundation of Hubei University of Economics(Grand No.XJ23BS42).
文摘This paper studies the Smoluchowski–Kramers approximation for a discrete-time dynamical system modeled as the motion of a particle in a force field.We show that the approximation holds for the drift-implicit Euler–Maruyama discretization and derive its convergence rate.In particular,the solution of the discretized system converges to the solution of the first-order limit equation in the mean-square sense,and this convergence is independent of the order in which the mass parameterμand the step size h tend to zero.
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 Schr¨odinger 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Supported by the National Science and Technology Major Project(No.2022ZD0119001)the National Natural Science Foundation of China(No.61834005,61802304)the Key R&D Program Projects in Shaanxi Province(No.2024GX-YBXM-100).
文摘With the growing demand for compute-intensive applications such as artificial intelligence(AI)and video processing,traditional reconfigurable array processors fail to meet the requirements of high-performance computing and related domains,primarily due to their high power consumption and low energy efficiency.To address this limitation,this paper proposes an accuracy-adaptive approxi-mate reconfigurable array architecture featuring preset dual thresholds and support for four computa-tional accuracy levels,enabling flexible adaptation to diverse application needs.The architecture in-tegrates a self-adaptive mechanism that dynamically adjusts computational precision based on real-time error threshold feedback.To evaluate the proposed architecture,the you only look once version 5(YOLOv5)deep neural network algorithm is parallelized and deployed on the approximate recon-figurable array.Experimental results demonstrate that the architecture achieves an 18.93%reduc-tion in power consumption compared with conventional reconfigurable structures operating in full-pre-cision mode.Additionally,the design exhibits superior energy efficiency and reduced computational resource utilization,thereby significantly enhancing the overall performance and applicability of reconfigurable array processors in power-sensitive scenarios.
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.
文摘In the present paper,we obtain the converse results of approximation of a newly introduced genuine Bernstein-Durrmeyer operators in movable interval.We also get the moments properties of an auxiliary operator which has its own independent values.The moments of the auxiliary operators play important roles in establishing the main result(Theorem 4).
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financially supported by the National Key Research and Development Program of China(Grant No.2022YFB3706800)the National Natural Science Foundation of China(Grant Nos.51905188 and 51775205).
文摘The reuse of green sand in casting production is hindered by the accumulation of oolitic deposits,primarily composed of clay binder with surface degradation,which may adversely affect the the moulding sand performance.Currently,there is a lack of standardized methods for quantifying the oolitic content.Accurate measurement of oolitic content is of great significance to the reuse of green sand.Attempts to determine oolitic content using potassium hydroxide(KOH)and phosphoric acid(H_(3)PO_(4))methods encounter challenges due to their excessive reactions with SiO_(2) in the sand.In this study,an improved method for measuring the oolitic content of green sand with repeated approximations was proposed.This method judges the chemical activity of the sample surface through the change of its mass to accurately obtain the mass of the reaction oolitic deposits.The test result of the used sand samples from the foundry shows that the oolitic deposits are completely removed after reacting with KOH solution three times at 300℃ for 20 min.SEM and EDS also show that after three times of reactions,the surface of green sand becomes smooth and the content of Al-containing oolitic deposits is very low.This indicates that the method can accurately control the extent of the reaction.Implementation of this method at Huangshi Dongbei Casting Co.,Ltd.has yielded consistent and reliable test results,effectively mirroring variations in green sand oolitic content on the production line.This new method is expected to be widely adopted to improve the efficiency and quality of reused green sand in casting operations.
基金supported in part by the National Natural Science Foundation of China(Grant Nos.62203246 and 62003127)Shandong Provincial Natural Science Foundation(Grant No.ZR2024QF041)the Natural Science Foundation of Hebei Province(Grant No.F2023202060)。
文摘Virtual coupling is a novel technology that enables trains to run closely together without physical connections through communication and automation systems.The paper addresses an adaptive polynomial approximation algorithm for the cooperative control of high-speed trains(HSTs)under virtual coupling.It aims to solve the cooperative tracking control problem of HST formation operations under various scenarios,including known and unknown parameters.To enable the HST formation system to achieve cooperative operation while ensuring an appropriate spacing distance,the tracking errors of displacement and speed throughout the entire operation converge to zero.The proposed control strategy focuses on adopting polynomial approximation to handle unknown parameters,which are estimated via adaptive laws.Additionally,the unknown parameters of the HSTs are estimated online through adaptive laws.Experimental results verify the effectiveness of this method.
基金supported by the Fundamental Research Projects of Shanxi Province(Grant No.202203021222225)the National Natural Science Foundation of China(Grant Nos.12175029,12011530014,and 11775040)the Key Research and Development Project of Liaoning Province(Grant No.2020JH2/10500003).
文摘Determining the minimal distance between the target state and the convex combination of given states is a fundamental problem in quantum resource theory,offering critical guidance for experimental implementations.In this paper,we embark on an in-depth exploration of the use of a quantum state prepared by the convex combination of given qubit states to optimally approximate the l_(1)-norm of coherence of the target quantum state,striving to make the prepared state and the target state as similar as possible.Here,we present the analytical solution for the optimal distance for any N given quantum states.We find that the optimal approximation problem for any N>4 quantum states can be transformed into an optimal approximation problem for no more than four quantum states,which not only significantly streamlines the problem but also proves advantageous for laboratories in terms of material conservation.Ultimately,a one-to-one comparison between the analytical and numerical solutions verifies the effectiveness of our approach.
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.
