Lattice Green's Function for Infinite Square Lattice in the Second Nearest-Neighbour Interaction Approximation

In dealing with the square lattice model,we replace the traditionally needed Born-Von Karmann periodic boundary condition with additional Hamiltonian terms to make up a ring lattice.In doing so,the lattice Green's function of an infinite square lattice in the second nearest-neighbour interaction approximation can be derived by means of the matrix Green's function method.It is shown that the density of states may change when the second nearest-neighbour interaction is turned on.

NEW TYPE OF DUAL BEM AND GREEN'S-FUNCTION-LIBRARY STRATEGY FOR FRACTURE ANALYSIS IN COMPLEX STRUCTURES

A new type of dual boundary integral equations(DBIE)is presented first,through which,a smaller system of equations needs to be solved in fracture analysis.Then a non-conforming crack tip element in two-dimensional problems is proposed.The exact formula for the hypersingular integral over the non-con- forming crack tip element is given next.By virtue of Green's-function-library strategy,a series of stress in- tensity factors(SIF)of different crack orientations,locations and/or sizes in a complicated structure can be obtained easily and efficiently.Finally,several examples of fracture analysis in two dimensions are given to demonstrate the accuracy and efficiency of the method proposed.

Characteristic analysis of scattering field in two-layer media by Green's function

The problem of three-dimensional(3D) acoustic scattering in a complex medium has aroused considerable interest of researchers for many years. An ultrasonic scattered field calculating technique is proposed to study the scattering echo from strongly scattered materials in a two-layer medium in this work. Firstly, with the high frequency stationary phase method,the Green's function of two-layer fluid media is derived. And then based on the idea of integral equation discretization,the Green's function method is extended to two-layer fluid media to derive the scattering field expression of defects in a complex medium. With this method, the scattering field of 3D defect in a two-layer medium is calculated and the characteristics of received echoes are studied. The results show that this method is able to solve the scattering P wave field of 3D defect with arbitrary shape at any scattering intensity in two-layer media. Considering the circumstance of waterimmersion ultrasonic non-destructive test(NDT), the scattering sound field characteristics of different types of defects are analyzed by simulation, which will help to optimize the detection scheme and corresponding imaging method in practice so as to improve the detection quality.

Finite Volume Time Domain with the Green Function Method for Electromagnetic Scattering in Schwarzschild Spacetime

The finite volume time domain(FVTD) algorithm and Green function algorithm are extended to Schwarzschild spacetime for numerical simulation of electromagnetic scattering. The FVTD method in Schwarzschild spacetime is developed by filling the flat spacetime with an equivalent medium. The Green function in Schwarzschild spacetime is acquired by solving initial value problems. Both the FVTD code and the Green function code are validated by numerical results. Scattering in Schwarzschild spacetime is simulated with these methods.

An improved boundary element method for modelling a self-reacting point absorber wave energy converter

A numerical model based on a boundary element method (BEM) is developed to predict the performance of two-body selfreacting floating-point absorber (SRFPA) wave energy systems that operate predominantly in heave.The key numerical issues in applying the BEM are systematically discussed.In particular,some improvements and simplifications in the numerical scheme are developed to evaluate the free surface Green's function,which is a main element of difficulty in the BEM.For a locked SRFPA system,the present method is compared with the existing experiment and the Reynolds-averaged NavierStokes (RANS)-based method,where it is shown that the inviscid assumption leads to substantial over-prediction of the heave response.For the unlocked SRFPA model we study in this paper,the additional viscous damping primarily induced by flow separation and vortex shedding,is modelled as a quadratic drag force,which is proportional to the square of body velocity.The inclusion of viscous drag in present method significantly improves the prediction of the heave responses and the power absorption performance of the SRFPA system,obtaining results excellent agreement with experimental data and the RANS simulation results over a broad range of incident wave periods,except near resonance in larger wave height scenarios.It is found that the wave overtopping and the re-entering impact of out-of-water floating body are observed more frequently in larger waves,where these non-linear effects are the dominant damping sources and could significantly reduce the power output and the motion responses of the SRFPA system.

The first excited single-proton resonance in 15F by complex-scaled Green's function method

The complex-scaled Green's function(CGF)method is employed to explore the single-proton resonance in 15F.Special attention is paid to the first excited resonant state 5/2+,which has been widely studied in both theory and experiments.However,past studies generally overestimated the width of the 5/2+state.The predicted energy and width of the first excited resonant state 5/2+by the CGF method are both in good agreement with the experimental value and close to Fortune's new estimation.Furthermore,the influence of the potential parameters and quadruple deformation effects on the resonant states are investigated in detail,which is helpful to the study of the shell structure evolution.

First-Principles Study on Switching Performance and Spin Filtering Efficiency of Dimethyldihydropyrene/Cyclophanediene Single-Molecule Devices with Zigzag Graphene Nanoribbon Electrodes

Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's function method in combination with the density functionaltheory,the switching performance and spin filtering properties of dimethyldihydropyrene(DHP)/cyclophanediene(CPD)photoswitchable molecule connected by carbon atomic chains(CACs)to two zigzag graphene nanoribbon electrodes have been theoretically investigated.The results show that DHP is more conductive than CPD and therefore an evident switching effect is demonstrated,and the switching ratio(RON/OFF)can reach 4.5×103.It is further revealed that the RoON/OF of DHP/CPD closely depends on the length of CACs.More specifically,the RoN/OFF values of DHP/CPD with odd-numbered CACs are larger than those with even-numbered CACs.More interestingly,a high or even perfect spin filtering effect can be obtained in these investigated DHP/CPD single-molecule devices.Our study is helpful for future design of single-molecule switches and spin filters and provides a way to optimize their performance by means of varying the length of bridging CACs.

Defect engineering on the electronic and transport properties of one-dimensional armchair phosphorene nanoribbons

We investigate the electronic and transport properties of one-dimensional armchair phosphorene nanoribbons(APNRs) containing atomic vacancies with different distributions and concentrations using ab initio density functional calculations. It is found that the atomic vacancies are easier to form and detain at the edge region rather than a random distribution through analyzing formation energy and diffusion barrier. The highly local defect states are generated at the vicinity of the Fermi level, and emerge a deep-to-shallow transformation as the width increases after introducing vacancies in APNRs.Moreover, the electrical transport of APNRs with vacancies is enhanced compared to that of the perfect counterparts. Our results provide a theoretical guidance for the further research and applications of PNRs through defect engineering.

ON THE SCATTERING OF ARBITRARY SHAPE MICROSTRIP PATCH

In this letter, discrete complex image method is employed to compute the Green's functions in the spatial domain, which improves the speed of evaluating the impedance matrix.The triangle vector basis function--RWG, is used to simulate the current distribution in order to compute the scattering properties of arbitrary shape microstrip patch without the staircase approximation. The numerical result shows the validity of the proposed method.

Strong Current-Polarization and Negative Differential Resistance in FeN3-Embedded Armchair Graphene Nanoribbons

Motivated by the recent advances of transition-metal-nitrogen-carbon (TM-N-C) materials in catalysis, we investigate the electronic structure and transport properties of FeN3-embedded armchair and zigzag graphene nanoribbons (FeN3@AGNRs, FeN3@ZGNRs) with different widths. The first-principles results indicate that the FeN3 induces significant changes on the band structures of both ZGNRs and AGNRs, making the resultant systems quite different from the pristine ones and own room-temperature stable ferromagnetic (FM) ground states. While only FeN3@AGNRs possess a significant spin-dependent negative differential resistance (NDR) and a striking current polarization (nearly 100%) behaviors, due to that FeN3 introduces two isolated spin-down states, which contribute current with different performances when they couple with different frontier orbits. It is suggested that by embedding FeN3 complexes, AGNRs can be used to build spin devices in spintronics.

Effect of crystallographic orientations on transport properties of methylthiol-terminated permethyloligosilane molecular junction

The understanding of the influence of electrode characteristics on charge transport is essential in the field of molecular electronics.In this work,we investigate the electronic transport properties of molecular junctions comprising methylthiolterminated permethyloligosilanes and face-centered crystal Au/Ag electrodes with crystallographic orientations of(111)and(100),based on the ab initio quantum transport simulations.The calculations reveal that the molecular junction conductance is dominated by the electronic coupling between two interfacial metal–S bonding states,which can be tuned by varying the molecular length,metal material of the electrodes,and crystallographic orientation.As the permethyloligosilane backbone elongates,although theσconjugation increases,the decreasing of coupling induced by the increasing number of central Si atoms reduces the junction conductance.The molecular junction conductance of methylthiol-terminated permethyloligosilanes with Au electrodes is higher than that with Ag electrodes with a crystallographic orientation of(111).However,the conductance trend is reversed when the electrode crystallographic orientation varies from(111)to(100),which can be ascribed to the reversal of interfacial coupling between two metal–S interfacial states.These findings are conducive to elucidating the mechanism of molecular junctions and improving the transport properties of molecular devices by adjusting the electrode characteristics.

Radiation Characteristics of the Cavity Backed Antenna in Conducting Cone

A technique using finite element and boundary integral method (FE-BI) and reciprocity theorem is presented to analyze the radiation characteristics of cavity backed antenna mounted on a conducting cone. The electric fields inside the cavity and on the aperture are obtained using finite element and boundary integral method. The far-field characteristic of the antenna is computed using reciprocity theorem. The paper begins with a general description of the method. An application of this method is given and the numerical result is compared with the experimental result.

Single-particle resonant states with Green’s function method

This study employs the relativistic mean field theory with the Green's function method to study the single-particle resonant states.In contrast to our previous work[Phys.Rev.C,90:054321(2014)],the resonant states are identified by searching for the poles of Green's function or the extremes of the density of states.This new approach is highly effective for all kinds of resonant states,no matter whether they are broad or narrow.The dependence on the space size for the resonant energies,widths,and the density distributions in the coordinate space has been checked and was found to be very stable.Taking ^120Sn as an example,four new broad resonant states 2g7/2,2g9/2,2h11/2,and 1j13/2 were observed,and the accuracy for the width of the very narrow resonant state 1h9/2 was highly improved to 1×10^−8 MeV.Further,our results are very close to those obtained using the complex momentum representation method and the complex scaling method.

The Dbar-dressing method for the(2+1)-dimensional Date–Jimbo–Kashiwara–Miwa equation

In this work,the(2+1)-dimensional Date–Jimbo–Kashiwara–Miwa(DJKM)equation is studied by means of the ■-dressing method.A new ■ problem has been constructed by analyzing the characteristic function and the Green’s function of its Lax representation.Based on solving the ■ equation and choosing the proper spectral transformation,the solution of the DJKM equation is constructed.Furthermore,the more general solution of the DJKM equation can be also obtained by ensuring the evolution of the time spectral data.

Magnetic flux control of chiral Majorana edge modes in topological superconductor

We study the transport of chiral Majorana edge modes(CMEMs) in a hybrid quantum anomalous Hall insulator-topological superconductor(QAHI-TSC) system in which the TSC region contains a Josephson junction and a cavity. The Josephson junction undergoes a topological transition when the magnetic flux through the cavity passes through half-integer multiples of magnetic flux quantum. For the trivial phase, the CMEMs transmit along the QAHI-TSC interface as without magnetic flux. However, for the nontrivial phase, a zero-energy Majorana state appears in the cavity, leading to that a CMEM can resonantly tunnel through the Majorana state to a different CMEM. These findings may provide a feasible scheme to control the transport of CMEMs by using the magnetic flux and the transport pattern can be customized by setting the size of the TSC.

Global regularity for 3D magneto-hydrodynamics equations with only horizontal dissipation

We investigate the Cauchy problem for the 3D magneto-hydrodynamics equations with only horizontal dissipation for the small initial data. With the help of the dissipation in the horizontal direction and the structure of the system, we analyze the properties of the decay of the solution and apply these decay properties to get the global regularity of the solution. In the process, we mainly use the frequency decomposition in Green's function method and energy method.

Spin Thermoelectric Effects in a Three-Terminal Double-Dot Interferometer

We theoretically investigate the thermoelectric properties of a three-terminal double-dot interferometer with Rashba spin-orbit interaction. It is found that with some temperature distributions a thermal spin current can even be produced without the help of magnetic flux and by tuning the spin interference effect in the system, a pure spin or fully spin-polarized current can be driven by temperature differences. For the cases that two of the terminals are held at the same temperature, the charge (spin) thermopower and the charge (spin) figure of merit are defined and calculated in the linear response regime. With some choices of the system parameters the calculated spin and charge thermopowers are of the same order of magnitude and the charge figure of merit can exceed 1.

DFT study of the conductance of molecular wire:The effect of coupling geometry and intermolecular interaction on the transport properties

The density functional theory (DFT) combining with the non-equilibrium Green functions (NEGF) method is applied to the study of the electronic transport properties for a Di-thiol-benzene (DTB) molecule coupled to two Au(111) surfaces. The dependence of the transport properties on the bias, the coupling geometry of the molecule-electrode interface, and the intermolecular interaction are examined in detail. The results show that the existence of the hydrogen atom at the end of the DTB molecule would significantly decrease the transmission coefficients, and then the differential conductance (dI/dV). By changing the position of the DTB molecule located between two electrodes a maximum value of calculated current is observed. It is also found that the intermolecular interaction will strongly influence the transport properties of the system studied.