A three-dimensional time-dependent theory for helix traveling wave tubes in beam-wave interaction

This paper presents a three-dimensional time-dependent nonlinear theory of helix traveling wave tubes for beam- wave interaction. The radio frequency electromagnetic fields are represented as the superposition of azimuthally sym- metric waves in a vacuum sheath helix. Coupling impedance is introduced to the electromagnetic field equations＇ stimulating sources, which makes the theory easier and more flexible to realize. The space charge fields are calculated by electron beam space-charge waves expressed as the superposition solutions of Helmholtz equations. The focusing forces due to either a solenoidal field or a periodic permanent magnetic field is also included. The dynamical equations of electrons are Lorentz equations associating with electromagnetic fields, focusing fields and space-charge fields. The numerically simulated results of a tube are presented.

Impact of different interaction behavior on epidemic spreading in time-dependent social networks

We investigate the impact of pairwise and group interactions on the spread of epidemics through an activity-driven model based on time-dependent networks.The effects of pairwise/group interaction proportion and pairwise/group interaction intensity are explored by extensive simulation and theoretical analysis.It is demonstrated that altering the group interaction proportion can either hinder or enhance the spread of epidemics,depending on the relative social intensity of group and pairwise interactions.As the group interaction proportion decreases,the impact of reducing group social intensity diminishes.The ratio of group and pairwise social intensity can affect the effect of group interaction proportion on the scale of infection.A weak heterogeneous activity distribution can raise the epidemic threshold,and reduce the scale of infection.These results benefit the design of epidemic control strategy.

A process-oriented approach for identifying potential landslides considering time-dependent behaviors beyond geomorphological features

Geomorphological features are commonly used to identify potential landslides.Nevertheless,overemphasis on these features could lead to misjudgment.This research proposes a process-oriented approach for potential landslide identification that considers time-dependent behaviors.The method integrates comprehensive remote sensing and geological analysis to qualitatively assess slope stability,and employs numerical analysis to quantitatively calculate aging stability.Specifically,a time-dependent stability calculation method for anticlinal slopes is developed and implemented in discrete element software,incorporating time-dependent mechanical and strength reduction calculations.By considering the time-dependent evolution of slopes,this method highlights the importance of both geomorphological features and time-dependent behaviors in landslide identification.This method has been applied to the Jiarishan slope(JRS)on the Qinghai-Tibet Plateau as a case study.The results show that the JRS,despite having landslide geomorphology,is a stable slope,highlighting the risk of misjudgment when relying solely on geomorphological features.This work provides insights into the geomorphological characterization and evolution history of the JRS and offers valuable guidance for studying slopes with similar landslide geomorphology.Furthermore,the process-oriented method incorporating timedependent evolution provides a means to evaluate potential landslides,reducing misjudgment due to excessive reliance on geomorphological features.

A GENERALIZED SCALAR AUXILIARY VARIABLE METHOD FOR THE TIME-DEPENDENT GINZBURG-LANDAU EQUATIONS

This paper develops a generalized scalar auxiliary variable(SAV)method for the time-dependent Ginzburg-Landau equations.The backward Euler method is used for discretizing the temporal derivative of the time-dependent Ginzburg-Landau equations.In this method,the system is decoupled and linearized to avoid solving the non-linear equation at each step.The theoretical analysis proves that the generalized SAV method can preserve the maximum bound principle and energy stability,and this is confirmed by the numerical result,and also shows that the numerical algorithm is stable.

Thermomechanical Dynamics (TMD) and Bifurcation-Integration Solutions in Nonlinear Differential Equations with Time-Dependent Coefficients

The new independent solutions of the nonlinear differential equation with time-dependent coefficients (NDE-TC) are discussed, for the first time, by employing experimental device called a drinking bird whose simple back-and-forth motion develops into water drinking motion. The solution to a drinking bird equation of motion manifests itself the transition from thermodynamic equilibrium to nonequilibrium irreversible states. The independent solution signifying a nonequilibrium thermal state seems to be constructed as if two independent bifurcation solutions are synthesized, and so, the solution is tentatively termed as the bifurcation-integration solution. The bifurcation-integration solution expresses the transition from mechanical and thermodynamic equilibrium to a nonequilibrium irreversible state, which is explicitly shown by the nonlinear differential equation with time-dependent coefficients (NDE-TC). The analysis established a new theoretical approach to nonequilibrium irreversible states, thermomechanical dynamics (TMD). The TMD method enables one to obtain thermodynamically consistent and time-dependent progresses of thermodynamic quantities, by employing the bifurcation-integration solutions of NDE-TC. We hope that the basic properties of bifurcation-integration solutions will be studied and investigated further in mathematics, physics, chemistry and nonlinear sciences in general.

Spin-Unrestricted Multi-Configuration Time-Dependent Hartree Fock Theory

Based on spin-unrestricted hartree fock theory, we present the spin unrestricted multi- configuration time dependent hartree lock theory （UMCTDHF） to describe the electron correlation dynamics of systems interacting with laser field. The positive spin orbitals and the negative spin orbitals are propagated in their own subspace respectively. The spin orbital in the spin-down subspace acts with that in the spin-up subspace by the reduced density matrix and mean field operator. The ground energy is acquired by propagating the trial wave function in the imaginary time by using spin-restricted MCTDHF （RMCTDHF） and UMCTDHF respectively. Then the ionization probabilities and the electrons energies are calculated by using RMCTDHF and UMCTDHF when the laser field is present. The ionization probability calculated with UMCTDHF agrees with the previous theoretical reports very well. The UMCTDHF method is accurate and applicable for open shell system beyond the capability of the RMCTDHF method.

Sample size adaptive strategy for time-dependent Monte Carlo particle transport simulation

When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain important cases. This study proposes an adaptive strategy for automatically adjusting the sample size to fulfil more reasonable simulations. This is realized based on an extension of the Shannon entropy concept and is essentially different from the popular methods in timeindependent Monte Carlo particle transport simulations, such as controlling the sample size according to the relative error of a target tally or by experience. The results of the two models show that this strategy can yield almost similar results while significantly reducing the calculation time. Considering the efficiency, the sample size should not be increased blindly if the efficiency cannot be enhanced further. The strategy proposed herein satisfies this requirement.

Time-dependent Diffusion Coefficient and Conventional Diffusion Constant of Nanoparticles in Polymer Melts by Mode-coupling Theory

Time-dependent diffusion coefficient and conventional diffusion constant are calculated and analyzed to study diffusion of nanoparticles in polymer melts. A generalized Langevin equa- tion is adopted to describe the diffusion dynamics. Mode-coupling theory is employed to calculate the memory kernel of friction. For simplicity, only microscopic terms arising from binary collision and coupling to the solvent density fluctuation are included in the formalism. The equilibrium structural information functions of the polymer nanocomposites required by mode-coupling theory are calculated on the basis of polymer reference interaction site model with Percus-Yevick closure. The effect of nanoparticle size and that of the polymer size are clarified explicitly. The structural functions, the friction kernel, as well as the diffusion coefficient show a rich variety with varying nanoparticle radius and polymer chain length. We find that for small nanoparticles or short chain polymers, the characteristic short time non-Markov diffusion dynamics becomes more prominent, and the diffusion coefficient takes longer time to approach asymptotically the conventional diffusion constant. This constant due to the microscopic contributions will decrease with the increase of nanoparticle size, while increase with polymer size. Furthermore, our result of diffusion constant from mode- coupling theory is compared with the value predicted from the Stokes-Einstein relation. It shows that the microscopic contributions to the diffusion constant are dominant for small nanoparticles or long chain polymers. Inversely, when nanonparticle is big, or polymer chain is short, the hydrodynamic contribution might play a significant role.

Time-dependent variational approach to solve multi-dimensional time-dependent Schr?dinger equation

We present an efficient approach to solve multi-dimensional time-dependent Schr?dinger equation(TDSE)in an intense laser field.In this approach,each spatial degree of freedom is treated as a distinguishable quasi-particle.The non-separable Coulomb potential is regarded as a two-body operator between different quasi-particles.The time-dependent variational principle is used to derive the equations of motion.Then the high-order multi-dimensional problem is broken down into several lower-order coupled equations,which can be efficiently solved.As a demonstration,we apply this method to solve the two-dimensional TDSE.The accuracy is tested by comparing the direct solutions of TDSE using several examples such as the strong-field ionization and the high harmonic generation.The results show that the present method is much more computationally efficient than the conventional one without sacrificing accuracy.The present method can be straightforwardly extended to three-dimensional problems.Our study provides a flexible method to investigate the laser-atom interaction in the nonperturbative regime.

Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

In traditional finite-temperature Kohn–Sham density functional theory(KSDFT),the partial occupation of a large number of high-energy KS eigenstates restricts the use of first-principles molecular dynamics methods at extremely high temperatures.However,stochastic density functional theory(SDFT)can overcome this limitation.Recently,SDFT and the related mixed stochastic–deterministic density functional theory,based on a plane-wave basis set,have been implemented in the first-principles electronic structure software ABACUS[Q.Liu and M.Chen,Phys.Rev.B 106,125132(2022)].In this study,we combine SDFT with the Born–Oppenheimer molecular dynamics method to investigate systems with temperatures ranging from a few tens of eV to 1000 eV.Importantly,we train machine-learning-based interatomic models using the SDFT data and employ these deep potential models to simulate large-scale systems with long trajectories.Subsequently,we compute and analyze the structural properties,dynamic properties,and transport coefficients of warm dense matter.

Kinetic Ising model in a time-dependent oscillating external magnetic field:effective-field theory

Recently, Shiet al. [2008 Phys. Left. A 372 5922] have studied the dynamical response of the kinetic Ising model in the presence of a sinusoidal oscillating field and presented the dynamic phase diagrams by using an effective-field theory （EFT） and a mean-field theory （MFT）. The MFT results are in conflict with those of the earlier work of Tome and de Oliveira, [1990 Phys. Rev. A 41 4251]. We calculate the dynamic phase diagrams and find that our results are similar to those of the earlier work of Tome and de Oliveira; hence the dynamic phase diagrams calculated by Shiet al. are incomplete within both theories, except the low values of frequencies for the MFT calculation. We also investigate the influence of external field frequency （w） and static external field amplitude （h0） for both MFT and EFT calculations. We find that the behaviour of the system strongly depends on the values of w and h0.

A Time-Dependent Random State Approach for Large-Scale Density Functional Calculations

We develop a self-consistent first-principle method based on the density functional theory.Physical quantities such as the density of states,Fermi energy and electron density are obtained using a time-dependent random state method without diagonalization.The numerical error for calculating either global or local variables always scales as1/√SN_(e)where N_(e)is the number of electrons and S is the number of random states,leading to a sublinear computational cost with the system size.In the limit of large systems,one random state could be enough to achieve reasonable accuracy.The accuracy and scaling properties of using the method are derived analytically and verified numerically in different condensed matter systems.Our time-dependent random state approach provides a powerful strategy for large-scale density functional calculations.

Extra Time Dimension: Deriving Relativistic Space-Time Transformations, Kinematics, and Example of Dimensional Compactification Using Time-Dependent Non-Relativistic Quantum Mechanics

We consider a five-dimensional Minkowski space with two time dimensions characterized by distinct speeds of causality and three space dimensions. Formulas for relativistic coordinate and velocity transformations are derived, leading to a new expression for the speed limit. Extending the ideas of Einstein’s Theory of Special Relativity, concepts of five-velocity and five-momenta are introduced. We get a new formula for the rest energy of a massive object. Based on a non-relativistic limit, a two-time dependent Schrödinger-like equation for infinite square-well potential is developed and solved. The extra time dimension is compactified on a closed loop topology with a period matching the Planck time. It generates interference of additional quantum states with an ultra-small period of oscillation. Some cosmological implications of the concept of four-dimensional versus five-dimensional masses are briefly discussed, too.

Non-harmonic resonance of viscoelastic structures subjected to time-dependent exponentially decreasing transverse distributed loads

In this paper,the non-harmonic resonance of Bernoulli viscoelastic beams,Kirchhoff viscoelastic plates,Timoshenko viscoelastic beams,and Mindlin viscoelastic plates subjected to time-dependent exponentially decreasing transverse distributed load is investigated for the first time.The constitutive equations are expressed utilizing Boltzmann integral law with a constant bulk modulus.The displacement vector is approximated by employing the separation of variables method.The Laplace transformation is used to transfer equations from the time domain to the Laplace domain and vice versa.The novel point of the proposed method is to express,prove and calculate the critical time in which the displacement will be several times the displacement at time zero.In addition,this new method calculates the maximum deflection at the critical time,explicitly and exactly,without any need to follow the time-displacement curve with a low computational cost.Additionally,the proposed method introduces the critical range of time so that the responses are greater than the responses at time zero.

A time-dependent density functional theory investigation of plasmon resonances of linear Au atomic chains

We report theoretical studies on the plasmon resonances in linear Au atomic chains by using ab initio time- dependent density functional theory. The dipole responses are investigated each as a function of chain length. They converge into a single resonance in the longitudinal mode but split into two transverse modes. As the chain length increases, the longitudinal plasmon mode is redshifted in energy while the transverse modes shift in the opposite direction （blueshifts）. In addition, the energy gap between the two transverse modes reduces with chain length increasing. We find that there are unique characteristics, different from those of other metallic chains. These characteristics are crucial to atomic-scale engineering of single-molecule sensing, optical spectroscopy, and so on.

Theoretical investigation on the excited state intramolecular proton transfer in Me_(2)N substituted flavonoid by the time-dependent density functional theory method

Time-dependent density functional theory(TDDFT)method is used to investigate the details of the excited state intramolecular proton transfer(ESIPT)process and the mechanism for temperature effect on the Enol^(*)/Keto^(*)emission ratio for the Me_(2)N-substited flavonoid(MNF)compound.The geometric structures of the S_(0) and S_(1) states are denoted as the Enol,Enol^(*),and Keto*.In addition,the absorption and fluorescence peaks are also calculated.It is noted that the calculated large Stokes shift is in good agreement with the experimental result.Furthermore,our results confirm that the ESIPT process happens upon photoexcitation,which is distinctly monitored by the formation and disappearance of the characteristic peaks of infrared(IR)spectra involved in the proton transfer and in the potential energy curves.Besides,the calculations of highest occupied molecular orbital(HOMO)and lowest unoccupied molecular orbital(LUMO)reveal that the electronegativity change of proton acceptor due to the intramolecular charge redistribution in the S_(1) state induces the ESIPT.Moreover,the thermodynamic calculation for the MNF shows that the Enol^(*)/Keto^(*)emission ratio decreasing with temperature increasing arises from the barrier lowering of ESIPT.

Theoretical Study on the Optical Properties for 2,7- and 3,6-Linked Carbazole Trimers by Time-dependent Density Functional Theory

Electronic properties, such as HOMO and LUMO energies, band gaps, ionization potential （IP） and electron affinity （EA） of 2,7- and 3,6-1inked carbazole trimers, two conjugated oligomcrs with different linkages of carbazole, were studicd by the density functional theory with Becke-Lee-Young-Parr composite exchange correlation functional （B3LYP）. The absorption spectra of these compounds were also investigated by time-dependent density functional theory （TD-DFT） with 6-3 IG＊ basis set. The calculated results indicated that the HOMO and LUMO of the 2,7- and 3,6-1inked carbazole trimers are both slightly destabilized on going from methyl substitution to sec-butyl substitution. Both IP and EA exhibit their good hole-transporting but poor electronaccepting ability. The presence of alkyl groups on the nitrogen atoms does not affect the intra-chain electronic delocalization along the molecular frame. Thus no significant effect on the band gap and absorption spectra of compounds has been found.

Blowup of Solutions to the Non-Isentropic Compressible Euler Equations with Time-Dependent Damping and Vacuum

This paper mainly studies the blowup phenomenon of solutions to the compressible Euler equations with general time-dependent damping for non-isentropic fluids in two and three space dimensions. When the initial data is assumed to be radially symmetric and the initial density contains vacuum, we obtain that classical solution, especially the density, will blow up on finite time. The results also reveal that damping can really delay the singularity formation.

Charge self-consistent dynamical mean field theory calculations incombination with linear combination of numerical atomic orbitalsframework based density functional theory

We present a formalism of charge self-consistent dynamical mean field theory(DMFT)in combination with densityfunctional theory(DFT)within the linear combination of numerical atomic orbitals(LCNAO)framework.We implementedthe charge self-consistent DFT+DMFT formalism by interfacing a full-potential all-electron DFT code with threehybridization expansion-based continuous-time quantum Monte Carlo impurity solvers.The benchmarks on several 3d,4fand 5f strongly correlated electron systems validated our formalism and implementation.Furthermore,within the LCANOframework,our formalism is general and the code architecture is extensible,so it can work as a bridge merging differentLCNAO DFT packages and impurity solvers to do charge self-consistent DFT+DMFT calculations.

Intelligent Transformation: General Intelligence Theory

This paper aims to formalize a general definition of intelligence beyond human intelligence. We accomplish this by re-imagining the concept of equality as a fundamental abstraction for relation. We discover that the concept of equality = limits the sensitivity of our mathematics to abstract relationships. We propose a new relation principle that does not rely on the concept of equality but is consistent with existing mathematical abstractions. In essence, this paper proposes a conceptual framework for general interaction and argues that this framework is also an abstraction that satisfies the definition of Intelligence. Hence, we define intelligence as a formalization of generality, represented by the abstraction ∆∞Ο, where each symbol represents the concepts infinitesimal, infinite, and finite respectively. In essence, this paper proposes a General Language Model (GLM), where the abstraction ∆∞Ο represents the foundational relationship of the model. This relation is colloquially termed “The theory of everything”.