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Time-dependent ground stability of inclined backfilled stope characterized by creep behavior
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作者 Ruofan Wang Yujie Zhu +3 位作者 Lang Liu Mengbo Zhu Baoxu Yan Hao Cui 《International Journal of Minerals,Metallurgy and Materials》 2026年第2期479-491,共13页
Backfill is routinely adopted as a ground support measure for underground mines.However,ground stability enhancement by backfill has received limited research attention.This is likely to be because of the conventional... Backfill is routinely adopted as a ground support measure for underground mines.However,ground stability enhancement by backfill has received limited research attention.This is likely to be because of the conventional assumption that the fill material exhibits a significantly lower stiffness than the host rocks.Significantly,a recent pioneering work revealed the time-dependent ground stability around a backfilled stope with vertical walls through numerical modeling.In practice,underground stopes typically exhibit a higher or lower degree of inclination.This alters the stress state in peripheral rocks and may induce severe instability and dilution,particularly in stope-hanging walls.Hence,it is imperative to analyze the time-dependent ground stability of inclined backfilled stopes for backfill structure design.Therefore,comprehensive numerical simulations were performed using FLAC3D to address this knowledge deficiency by incorporating a coupled analysis of the backfill consolidation behavior and long-term creep deformation in surrounding rocks.The ground stability was evaluated based on the confinement effectiveness,strength-stress ratio,stress path relative to the yield surface,and time-dependent stress redistribution in the rocks.A parametric study revealed that the inclination angle of the backfilled stope reduced the confinement effectiveness in the host rocks when the wall creep was minor.This exacerbated the rock mass sloughing potential.However,a backfilled stope with a shallower dip angle achieved superior ground stability enhancement when the creep deformation was substantial,by applying a more significant compression on the backfill and effectively mobilizing its passive support performance during consolidation.Additional simulations were conducted to analyze the effects of stope height and width,mine depth,mechanical properties of rocks,backfill compressibility,and filling gap on the time-dependent stress redistribution and stability around the inclined backfilled stope. 展开更多
关键词 inclined backfilled stope ground stability time-dependency creep CONSOLIDATION
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Time-dependent behavior of deep roadway surrounding rock considering damage induced by excavation and mining disturbances:Experiments,modeling,and simulation
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作者 Qingzhe Cui Rongbin Hou +4 位作者 Zhenhua Li Feng Du Xu Chen Boyang Zhang Lielie Li 《International Journal of Mining Science and Technology》 2026年第2期439-456,共18页
In deep coal mining,surrounding rock is subjected to both high in-situ stress and intense mining disturbances,leading to significant time-dependent behavior.Accurately capturing this behavior is essential for predicti... In deep coal mining,surrounding rock is subjected to both high in-situ stress and intense mining disturbances,leading to significant time-dependent behavior.Accurately capturing this behavior is essential for predicting long-term roadway stability,necessitating the development of a reliable constitutive creep model and numerical simulation approach.In this study,creep experiments were conducted on pre-damaged rock with varying initial damage levels to investigate the time-dependent mechanical properties.Based on the experimental results,an accelerated-creep criterion was proposed,and an elastic-viscoplastic creep damage model(EVPCD)was established that simultaneously considers the effects of time-dependent damage and instantaneous damage caused by stress disturbances on rock creep behavior.Subsequently,the effectiveness of the proposed creep model was verified using experimental data,and the secondary development of the EVPCD model was completed based on the FLAC3D platform.Following this,a long-term stability analysis method of deep surrounding rock that accounts for excavation-and mining-induced disturbances was proposed.Using the main roadway of Xutuan Coal Mine as a case study,numerical simulations were carried out to investigate the time-dependent deformation and failure characteristics of the surrounding rock following excavation and mining disturbance.Combined with on-site monitoring of the surrounding rock damage areas,the results indicate that the EVPCD outperforms the CVISC and Nishihara models in predicting the time-dependent behavior of deep surrounding rock. 展开更多
关键词 Initial damage time-dependent damage Creep model Numerical implementation Damage evolution
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Strain localization and time-dependent deformation in granodiorite characterized by distributed optical fiber sensing
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作者 Shuting Miao Arno Zang +3 位作者 Guido Blöcher Yinlin Ji Hannes Hofmann Pengzhi Pan 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第1期166-178,共13页
A multi-stage stress relaxation test was performed on a granodiorite sample to understand the deformation process prior to the macroscopic failure of brittle rocks,as well as the transient response during stress relax... A multi-stage stress relaxation test was performed on a granodiorite sample to understand the deformation process prior to the macroscopic failure of brittle rocks,as well as the transient response during stress relaxation.Distributed optical fiber sensing was used to measure strains across the sample surface by helically wrapping the single-mode fiber around the cylindrical sample.Close agreement was observed between the circumferential strains obtained from the optical fibers and the extensometer.The reconstructed full-field strain contours show strain heterogeneity from the crack closure phase,and the strains in the later deformation phase are dominantly localized within the former high-strain zone.The Gini coefficient was used to quantify the degree of strain localization and shows an initial increase during the crack closure phase,a decrease during the linear elastic phase,and a subsequent increase during the post-yielding phase.This behavior corresponds to a process of initial localization from an imperfect boundary condition,homogenization,and eventual relocalization prior to the macroscopic failure of the sample.The transient strain rate decay during the stress relaxation phase was quantified using the p-value in the“Omori-like"power law function.A higher initial stress at the onset of relaxation results in a lower p-value,indicating a slower strain rate decay.As the sample approaches macroscopic failure,the lowest p-value shifts from the most damaged zone to adjacent areas,suggesting stress redistribution or crack propagation in deformed crystalline rocks under stress relaxation conditions. 展开更多
关键词 Distributed optical fiber sensing Stress relaxation Strain localization time-dependent deformation
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In-situ stress solution theory for borehole overcoring technique incorporating time-dependent effect of stress relief and its applications
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作者 Daohong Xia Shengjun Miao +5 位作者 Lianjun Chen Yuan Li Zejing Liu Rongmin Zhang Pengjin Yang Pengcheng Li 《International Journal of Mining Science and Technology》 2026年第1期187-203,共17页
In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of roc... In-situ stress is a key parameter for underground mine design and rock stability analysis.The borehole overcoring technique is widely used for in-situ stress measurement,but the rheological recovery deformation of rocks after stress relief introduces errors.To improve accuracy,this study proposes an in-situ stress solution theory that incorporates time-dependent stress relief effects.Triaxial stepwise loadingunloading rheological tests on granite and siltstone established quantitative relationships between instantaneous elastic recovery and viscoelastic recovery under different stress levels,confirming their impact on measurement accuracy.By integrating a dual-class elastic deformation recovery model,an improved in-situ stress solution theory was derived.Additionally,accounting for the nonlinear characteristics of rock masses,a determination method for time-dependent nonlinear mechanical parameters was proposed.Based on the CSIRO hollow inclusion strain cell,time-dependent strain correction equations and long-term confining pressure calibration equations were formulated.Finally,the proposed theory was successfully applied at one iron mine(736 m depth)in Xinjiang,China,and one coal mine(510 m depth)in Ningxia,China.Compared to classical theory,the calculated mean stress values showed accuracy improvements of 6.0%and 9.4%,respectively,validating the applicability and reliability of the proposed theory. 展开更多
关键词 In-situ stress solution theory Borehole overcoring technique time-dependent effect of stress relief Viscoelastic recovery strain of rock In-situ stress measurement
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Revisiting classical diffusion magnetic resonance methods as a means to measure time-dependent diffusion
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作者 Teddy X.Cai Nathan H.Williamson Peter J.Basser 《Magnetic Resonance Letters》 2025年第4期28-39,共12页
The field of diffusion micro structural magnetic resonance(MR)aims to probe timedependent diffusion,i.e.,an ensemble-averaged mean-squared displacement that is not linear in time.This time-dependence contains rich inf... The field of diffusion micro structural magnetic resonance(MR)aims to probe timedependent diffusion,i.e.,an ensemble-averaged mean-squared displacement that is not linear in time.This time-dependence contains rich information about the surrounding microenvironment.MR methods to measure time-dependent diffusion quantitatively,however,require either non-standard pulse sequences,such as oscillating gradients,or make non-physical assumptions,such as infinitely narrow gradient pulses.Here,we argue that standard spin echo and stimulated echo MR sequences can be used to probe directly.In particular,we propose a framework in which the log-signal ratio obtained from a pair of measurements with different inter-pulse spacingΔis proportional to the MSD between these twoΔvalues along the gradient direction x:-.The framework is quantitative for short,finite-duration gradient pulses and under the Gaussian phase approximation(GPA).To validate the framework,we consider onedimensional diffusion between impermeable,parallel planes,as well as periodicallyspaced,permeable planes.Excellent agreement is obtained between the estimation and the ground truth in the regime where the GPA is expected to hold.Importantly,the GPA can be made to hold for any underlying microstructure,making the proposed framework widely applicable. 展开更多
关键词 DIFFUSION time-dependent Stimulated echo Spin echo RESTRICTION Mean-squared displacement
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Applying the Liouville–Lanczos method of time-dependent density-functional theory to warm dense matter
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作者 Zhandos A.Moldabekov Sebastian Schwalbe +3 位作者 Thomas Gawne Thomas R.Preston Jan Vorberger Tobias Dornheim 《Matter and Radiation at Extremes》 2025年第4期44-57,共14页
Ab initio modeling of dynamic structure factors(DSF)and related density response properties in the warm dense matter(WDM)regime is a challenging computational task.The DSF,convolved with a probing X-ray beam and instr... Ab initio modeling of dynamic structure factors(DSF)and related density response properties in the warm dense matter(WDM)regime is a challenging computational task.The DSF,convolved with a probing X-ray beam and instrument function,is measured in X-ray Thom-son scattering(XRTS)experiments,which allow the study of electronic structure properties at the microscopic level.Among the various ab initio methods,linear-response time-dependent density-functional theory(LR-TDDFT)is a key framework for simulating the DSF.The standard approach in LR-TDDFT for computing the DSF relies on the orbital representation.A significant drawback of this method is the unfavorable scaling of the number of required empty bands as the wavenumber increases,making LR-TDDFT impractical for modeling XRTS measurements over large energy scales,such as in backward scattering geometry.In this work,we consider and test an alternative approach to LR-TDDFT that employs the Liouville–Lanczos(LL)method for simulating the DSF of WDM.This approach does not require empty states and allows the DSF at large momentum transfer values and over a broad frequency range to be accessed.We compare the results obtained from the LL method with those from the solution of Dyson’s equation using the standard LR-TDDFT within the projector augmented-wave formalism for isochorically heated aluminum and warm dense hydrogen.Additionally,we utilize exact path integral Monte Carlo results for the imaginary-time density-density correlation function(ITCF)of warm dense hydrogen to rigorously benchmark the LL approach.We discuss the application of the LL method for calculating DSFs and ITCFs at different wavenumbers,the effects of pseudopotentials,and the role of Lorentzian smearing.The successful validation of the LL method under WDM conditions makes it a valuable addition to the ab initio simulation landscape,supporting experimental efforts and advancing WDM theory. 展开更多
关键词 ab initio dynamic structure factors dsf Liouville Lanczos method simulating ds ab initio methodslinear response warm dense matter time dependent density functional theory density response properties
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THE FINITE DIFFERENCE STREAMLINE DIFFUSION METHODS FOR TIME-DEPENDENT CONVECTION-DIFFUSION EQUATIONS 被引量:6
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作者 孙澈 沈慧 《Numerical Mathematics A Journal of Chinese Universities(English Series)》 SCIE 1998年第1期72-85,共14页
In this paper, two finite difference streamline diffusion (FDSD) schemes for solving two-dimensional time-dependent convection-diffusion equations are constructed. Stability and optimal order error estimati-ions for c... In this paper, two finite difference streamline diffusion (FDSD) schemes for solving two-dimensional time-dependent convection-diffusion equations are constructed. Stability and optimal order error estimati-ions for considered schemes are derived in the norm stronger than L^2-norm. 展开更多
关键词 time-dependent CONVECTION-DIFFUSION equations STREAMLINE diffusion methods Euler-FDSD SCHEME Crank-Nicolson-FDSD scheme.
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RBFs Meshless Method of Lines for the Numerical Solution of Time-Dependent Nonlinear Coupled Partial Differential Equations 被引量:3
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作者 Sirajul Haq Arshad Hussain Marjan Uddin 《Applied Mathematics》 2011年第4期414-423,共10页
In this paper a meshless method of lines is proposed for the numerical solution of time-dependent nonlinear coupled partial differential equations. Contrary to mesh oriented methods of lines using the finite-differenc... In this paper a meshless method of lines is proposed for the numerical solution of time-dependent nonlinear coupled partial differential equations. Contrary to mesh oriented methods of lines using the finite-difference and finite element methods to approximate spatial derivatives, this new technique does not require a mesh in the problem domain, and a set of scattered nodes provided by initial data is required for the solution of the problem using some radial basis functions. Accuracy of the method is assessed in terms of the error norms L2, L∞ and the three invariants C1, C2, C3. Numerical experiments are performed to demonstrate the accuracy and easy implementation of this method for the three classes of time-dependent nonlinear coupled partial differential equations. 展开更多
关键词 RBFs MESHLESS method of LINES time-dependent PDES
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A streamline diffusion nonconforming finite element method for the time-dependent linearized Navier-Stokes equations 被引量:1
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作者 陈豫眉 谢小平 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2010年第7期861-874,共14页
A nonconforming finite element method of finite difference streamline diffusion type is proposed to solve the time-dependent linearized Navier-Stokes equations. The backward Euler scheme is used for time discretizatio... A nonconforming finite element method of finite difference streamline diffusion type is proposed to solve the time-dependent linearized Navier-Stokes equations. The backward Euler scheme is used for time discretization. Crouzeix-Raviart nonconforming finite element approximation, namely, nonconforming (P1)2 - P0 element, is used for the velocity and pressure fields with the streamline diffusion technique to cope with usual instabilities caused by the convection and time terms. Stability and error estimates are derived with suitable norms. 展开更多
关键词 streamline diffusion method finite difference method nonconforming finite element method time-dependent linearized Navier-Stokes equations error estimate
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Developing an Instantaneous Response Surface Method t-IRS for Time-Dependent Reliability Analysis 被引量:1
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作者 Junxiang Li Jianqiao Chen +2 位作者 Junhong Wei Xiaosheng Zhang Ben Han 《Acta Mechanica Solida Sinica》 SCIE EI CSCD 2019年第4期446-462,共17页
In practical engineering, many uncertain factors in loading or degradation of material properties may vary with time. Stochastic process modeling constitutes a suitable approach for describing these time-dependent unc... In practical engineering, many uncertain factors in loading or degradation of material properties may vary with time. Stochastic process modeling constitutes a suitable approach for describing these time-dependent uncertainties. By adopting this approach, however, the timedependent reliability calculation is a great challenge owing to the complexity and the huge computational burden. This paper presents a new instantaneous response surface method t-IRS for time-dependent reliability analysis. Different from the adaptive extreme response surface approach, the proposed method does not need to build and update surrogate models separately at each time node. It first uses the expansion optimal linear estimation method to discretize the stochastic processes into a set of independent standard normal variables together with some deterministic functions of time. Time is then treated as an independent one-dimensional variable. Next, initial samples are generated by Latin hypercube sampling, and the corresponding response values are calculated and utilized to construct an instantaneous response surrogate model of the Kriging type. The active learning method is applied to update the Kriging surrogate model until satisfactory accuracy is achieved. Finally, the instantaneous response surrogate model is used to compute the time-dependent reliability via Monte Carlo simulation. Four case studies are utilized to demonstrate the effectiveness of the ^-IRS method for time-dependent reliability analysis. 展开更多
关键词 time-dependent reliability Stochastic process Instantaneous response surface method i-IRS EXPANSION optimal linear estimation method KRIGING surrogate model
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A unique time-dependent deformation behavior of coral reef limestone 被引量:1
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作者 Kai Wu Qingshan Meng +5 位作者 Le Luo Qinglong Qin Chi Wang Xinzhi Wang Tianli Shen Haozhen Ding 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第3期1862-1875,共14页
Catastrophic failure in engineering structures of island reefs would occur when the tertiary creep initiates in coral reef limestone with a transition from short-to long-term load.Due to the complexity of biological s... Catastrophic failure in engineering structures of island reefs would occur when the tertiary creep initiates in coral reef limestone with a transition from short-to long-term load.Due to the complexity of biological structures,the underlying micro-behaviors involving time-dependent deformation are poorly understood.For this,an abnormal phenomenon was observed where the axial and lateral creep deformations were mutually independent by a series of triaxial tests under constant stress and strain rate conditions.The significantly large lateral creep deformation implies that the creep process cannot be described in continuum mechanics regime.Herein,it is hypothesized that sliding mechanism of crystal cleavages dominates the lateral creep deformation in coral reef limestone.Then,approaches of polarizing microscope(PM)and scanning electronic microscope(SEM)are utilized to validate the hypothesis.It shows that the sliding behavior of crystal cleavages combats with conventional creep micro-mechanisms at certain condition.The former is sensitive to time and strain rate,and is merely activated in the creep regime. 展开更多
关键词 Coral reef limestone time-dependent deformation Creep mechanism Constitutive model
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Lattice Boltzmann method for simulation of time-dependent neutral particle transport 被引量:3
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作者 Ya-Hui Wang Li-Ming Yan +1 位作者 Bang-Yang Xia Yu Ma 《Nuclear Science and Techniques》 SCIE CAS CSCD 2017年第3期74-84,共11页
In this paper, a novel model is proposed to investigate the neutron transport in scattering and absorbing medium. This solution to the linear Boltzmann equation is expanded from the idea of lattice Boltzmann method(LB... In this paper, a novel model is proposed to investigate the neutron transport in scattering and absorbing medium. This solution to the linear Boltzmann equation is expanded from the idea of lattice Boltzmann method(LBM) with the collision and streaming process. The theoretical derivation of lattice Boltzmann model for transient neutron transport problem is proposed for the first time.The fully implicit backward difference scheme is used to ensure the numerical stability, and relaxation time and equilibrium particle distribution function are obtained. To validate the new lattice Boltzmann model, the LBM formulation is tested for a homogenous media with different sources, and both transient and steady-state LBM results get a good agreement with the benchmark solutions. 展开更多
关键词 Transient NEUTRON transport LATTICE BOLTZMANN method Linear BOLTZMANN equation
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Time-dependent quantum wave packet simulation for strong laser-induced molecular dynamics in multiple electronic states of H_(2) molecules
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作者 Jin-Peng Ma Xiao-Qing Hu +1 位作者 Yong Wu Jian-Guo Wang 《Chinese Physics B》 2025年第10期149-157,共9页
We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple elect... We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple electronic states while simultaneously tracking their time-dependent electronic,vibrational,and rotational dynamics.As an illustrative example,we consider neutral H_(2)molecules and simulate the laser-induced excitation dynamics of electronic and rotational states in strong laser fields,quantitatively distinguishing the respective contributions of electronic dipole transitions(within the classical-field approximation)and non-resonant Raman processes to the overall molecular dynamics.Furthermore,we precisely evaluate the relative contributions of direct tunneling ionization from the ground state and ionization following electronic excitation in the strong-field ionization of H_(2).The developed methodology shows strong potential for performing high-precision theoretical simulations of electronic-vibrational-rotational state excitations,ionization,and dissociation dynamics in molecules and their ions under intense laser fields. 展开更多
关键词 time-dependent quantum wave packet evolution method laser-induced excitation dynamics electronic dipole transitions non-resonant Raman processes direct tunneling ionization ionization following electronic excitation
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Pseudospectral method with symplectic algorithm for the solution of time-dependent SchrSdinger equations 被引量:2
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作者 卞学滨 乔豪学 史庭云 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第7期1822-1826,共5页
A pseudospectral method with symplectic algorithm for the solution of time-dependent Schrodinger equations (TDSE) is introduced. The spatial part of the wavefunction is discretized into sparse grid by pseudospectral... A pseudospectral method with symplectic algorithm for the solution of time-dependent Schrodinger equations (TDSE) is introduced. The spatial part of the wavefunction is discretized into sparse grid by pseudospectral method and the time evolution is given in symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSE. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atom in strong laser field as compared with previously published work. The influence of the additional static electric field is also investigated. 展开更多
关键词 pseudospectral method symplectic algorithm high-order harmonic generation
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Safety lifetime analysis method for multi-mode time-dependent structural system 被引量:1
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作者 Yingshi HU Zhenzhou LU +2 位作者 Ning WEI Xia JIANG Changcong ZHOU 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2022年第11期294-308,共15页
It is important to determine the safety lifetime of Multi-mode Time-Dependent Structural System(MTDSS). However, there is still a lack of corresponding analysis methods.Therefore, this paper establishes MTDSS safety l... It is important to determine the safety lifetime of Multi-mode Time-Dependent Structural System(MTDSS). However, there is still a lack of corresponding analysis methods.Therefore, this paper establishes MTDSS safety lifetime model firstly, and then proposes a Kriging surrogate model based method to estimate safety lifetime. The first step of proposed method is to construct the Kriging model of MTDSS performance function by using extremum learning function. By identifying possible extremum mode of MTDSS, the performance function of MTDSS can be equivalently transformed into the one of Single-mode Time-Dependent Structure(STDS).The second step is to use the Advanced First Failure Instant Learning Function(AFFILF) to train the Kriging model constructed in the first step, so that the convergent Kriging model can identify the possible First Failure Instant(FFI) of STDS. Then safety lifetime can be searched quickly by dichotomy search. By using AFFILF, the minimum instant that the state is not accurately identified by the current Kriging model is selected as the training point, which avoids the unnecessary calculation which may be introduced into the existing First Failure Instant Learning Function(FFILF).In addition, the Candidate Sample Pool(CSP) reduction strategy is also adopted. By adaptively deleting the random candidate sample points whose FFI have been accurately identified by the current Kriging model, the training efficiency is further improved. Three cases show that the proposed method is accurate and efficient. 展开更多
关键词 KRIGING Learning function LIFETIME System reliability time-dependent reliability analysis
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Trial function method and exact solutions to the generalized nonlinear Schrdinger equation with time-dependent coefficient 被引量:2
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作者 曹瑞 张健 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第10期182-185,共4页
In this paper, the trial function method is extended to study the generalized nonlinear Schrodinger equation with time- dependent coefficients. On the basis of a generalized traveling wave transformation and a trial f... In this paper, the trial function method is extended to study the generalized nonlinear Schrodinger equation with time- dependent coefficients. On the basis of a generalized traveling wave transformation and a trial function, we investigate the exact envelope traveling wave solutions of the generalized nonlinear Schrodinger equation with time-dependent coefficients. Taking advantage of solutions to trial function, we successfully obtain exact solutions for the generalized nonlinear Schrodinger equation with time-dependent coefficients under constraint conditions. 展开更多
关键词 generalized nonlinear SchriSdinger equation exact solution trial function method
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In an Ocean or a River:Bilinear Auto-Backlund Transformations and Similarity Reductions on an Extended Time-Dependent(3+1)-Dimensional Shallow Water Wave Equation 被引量:1
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作者 GAO Xin-yi 《China Ocean Engineering》 2025年第1期160-165,共6页
With respect to oceanic fluid dynamics,certain models have appeared,e.g.,an extended time-dependent(3+1)-dimensional shallow water wave equation in an ocean or a river,which we investigate in this paper.Using symbolic... With respect to oceanic fluid dynamics,certain models have appeared,e.g.,an extended time-dependent(3+1)-dimensional shallow water wave equation in an ocean or a river,which we investigate in this paper.Using symbolic computation,we find out,on one hand,a set of bilinear auto-Backlund transformations,which could connect certain solutions of that equation with other solutions of that equation itself,and on the other hand,a set of similarity reductions,which could go from that equation to a known ordinary differential equation.The results in this paper depend on all the oceanic variable coefficients in that equation. 展开更多
关键词 OCEAN RIVER extended time-dependent(3+1)-dimensional shallow water wave equation bilinear auto-Bäcklund transformation similarity reduction symbolic computation
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Low-Storage Runge-Kutta Method for Simulating Time-Dependent Quantum Dynamics
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作者 严运安 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2017年第3期277-286,I0001,共11页
A wide range of quantum systems are time-invariant and the corresponding dynamics is dic- tated by linear differential equations with constant coefficients. Although simple in math- ematical concept, the integration o... A wide range of quantum systems are time-invariant and the corresponding dynamics is dic- tated by linear differential equations with constant coefficients. Although simple in math- ematical concept, the integration of these equations is usually complicated in practice for complex systems, where both the computational time and the memory storage become limit- ing factors. For this reason, low-storage Runge-Kutta methods become increasingly popular for the time integration. This work suggests a series of s-stage sth-order explicit Runge- Kutta methods specific for autonomous linear equations, which only requires two times of the memory storage for the state vector. We also introduce a 13-stage eighth-order scheme for autonomous linear equations, which has optimized stability region and is reduced to a fifth-order method for general equations. These methods exhibit significant performance improvements over the previous general-purpose low-stage schemes. As an example, we ap- ply the integrator to simulate the non-Markovian exciton dynamics in a 15-site linear chain consisting of perylene-bisimide derivatives. 展开更多
关键词 Low-storage Runge-Kutta Autonomous linear differential equation time-dependent dynamics Time-invariant Hamiltonian
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State-to-state dynamics of reactions H+DH'(v=0,j=0)→HH'(v',j')+D/HD(v',j')+H'with time-dependent quantum wave packet method
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作者 Juan Zhao Da-Guang Yue +3 位作者 Lu-Lu Zhang Shang Gao Zhong-Bo Liu Qing-Tian Meng 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第7期192-199,共8页
State-to-state time-dependent quantum dynamics calculations have been carried out to study H+DH'→HH'+D/HD+H'reactions on BKMP2 surface.The total integral cross sections of both reactions are in good agree... State-to-state time-dependent quantum dynamics calculations have been carried out to study H+DH'→HH'+D/HD+H'reactions on BKMP2 surface.The total integral cross sections of both reactions are in good agreement with earlier theoretical and experimental results,moreover the rotational state-resolved reaction cross sections of H+DH'→HH‘+D at collision energy Ec=0.5 eV are closer to the experimental values than the ones calculated by Chao et al[J.Chem.Phys.1178341(2002)],which proves the higher precision of the quantum calculation in this work.In addition,the state-to-state dynamics of H+DH'→HD'+H reaction channel have been discussed in detail,and the differences of the micro-mechanism of the two reaction channels have been revealed and analyzed clearly. 展开更多
关键词 state-to-state time-dependent quantum wave-packet method differential cross sections
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A Generalized FDTD Method with Absorbing Boundary Condition for Solving a Time-Dependent Linear Schrodinger Equation 被引量:1
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作者 Frederick Ira Moxley III Fei Zhu Weizhong Dai 《American Journal of Computational Mathematics》 2012年第3期163-172,共10页
The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an iterative process. However, the method provides only a ... The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an iterative process. However, the method provides only a second-order accurate numerical solution and requires that the spatial grid size and time step should satisfy a very restricted condition in order to prevent the numerical solution from diverging. In this article, we present a generalized FDTD method with absorbing boundary condition for solving the one-dimensional (1D) time-dependent Schr?dinger equation and obtain a more relaxed condition for stability. The generalized FDTD scheme is tested by simulating a particle moving in free space and then hitting an energy potential. Numerical results coincide with those obtained based on the theoretical analysis. 展开更多
关键词 SCHRODINGER Equation Absorbing BOUNDARY FDTD method Stability
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