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.

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.

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.

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.

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_2N 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 Me2N-substited flavonoid（MNF） compound. The geometric structures of the S0 and S1 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 S1 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.

Functional microfluidics:theory,microfabrication,and applications

Microfluidic devices are composed of microchannels with a diameter ranging from ten to a few hundred micrometers.Thus,quite a small(10-9–10-18l)amount of liquid can be manipulated by such a precise system.In the past three decades,significant progress in materials science,microfabrication,and various applications has boosted the development of promising functional microfluidic devices.In this review,the recent progress on novel microfluidic devices with various functions and applications is presented.First,the theory and numerical methods for studying the performance of microfluidic devices are briefly introduced.Then,materials and fabrication methods of functional microfluidic devices are summarized.Next,the recent significant advances in applications of microfluidic devices are highlighted,including heat sinks,clean water production,chemical reactions,sensors,biomedicine,capillaric circuits,wearable electronic devices,and microrobotics.Finally,perspectives on the challenges and future developments of functional microfluidic devices are presented.This review aims to inspire researchers from various fields engineering,materials,chemistry,mathematics,physics,and more—to collaborate and drive forward the development and applications of functional microfluidic devices,specifically for achieving carbon neutrality.

Contract Mechanism of Water Environment Regulation for Small and Medium Sized Enterprises Based on Optimal Control Theory

The small and scattered enterprise pattern in the county economy has formed numerous sporadic pollution sources, hindering the centralized treatment of the water environment, increasing the cost and difficulty of treatment. How enterprises can make reasonable decisions on their water environment behavior based on the external environment and their own factors is of great significance for scientifically and effectively designing water environment regulation mechanisms. Based on optimal control theory, this study investigates the design of contractual mechanisms for water environmental regulation for small and medium-sized enterprises. The enterprise is regarded as an independent economic entity that can adopt optimal control strategies to maximize its own interests. Based on the participation of multiple subjects including the government, enterprises, and the public, an optimal control strategy model for enterprises under contractual water environmental regulation is constructed using optimal control theory, and a method for calculating the amount of unit pollutant penalties is derived. The water pollutant treatment cost data of a paper company is selected to conduct empirical numerical analysis on the model. The results show that the increase in the probability of government regulation and public participation, as well as the decrease in local government protection for enterprises, can achieve the same regulatory effect while reducing the number of administrative penalties per unit. Finally, the implementation process of contractual water environmental regulation for small and medium-sized enterprises is designed.

Prospect Theory Based Individual Irrationality Modelling and Behavior Inducement in Pandemic Control

Understanding and modeling individuals’behaviors during epidemics is crucial for effective epidemic control.However,existing research ignores the impact of users’irrationality on decision-making in the epidemic.Meanwhile,existing disease control methods often assume users’full compliance with measures like mandatory isolation,which does not align with the actual situation.To address these issues,this paper proposes a prospect theorybased framework to model users’decision-making process in epidemics and analyzes how irrationality affects individuals’behaviors and epidemic dynamics.According to the analysis results,irrationality tends to prompt conservative behaviors when the infection risk is low but encourages risk-seeking behaviors when the risk is high.Then,this paper proposes a behavior inducement algorithm to guide individuals’behaviors and control the spread of disease.Simulations and real user tests validate our analysis,and simulation results show that the proposed behavior inducement algorithm can effectively guide individuals’behavior.

Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds

Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion batteries.In this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur compounds.Results showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface activity.Notably,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped systems.In addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents.