Design of a Metasurface Antenna Based on Characteristic Mode Theory

A novel metasurface antenna consisting of 5×5 rectangular patch elements is presented.Thestructure with and without the central element are both analyzed by the Characteristic Mode Theory(CMT).The developed mutually orthogonal principal modes of the optimized periodic patch structure areexcited by a center-feed dipole.A differential feeding network is employed to realize impedance matching.Prototype with profile height of 0.07λ_(0)(λ_(0)is the wavelength in free space at the lowest operatingfrequency)is fabricated and assembled to verify the simulation results.The measured results show that thereflectance coefficient of proposed matesurface antenna is less than-10 dB in the whole operating bandrange from 4.2 GHz to 5.5 GHz,a relative bandwidth of 26.8%is achieved,and the maximummeasured realized gain is more than 9 dBi with a maximum radiation efficiency of 90%.The designprovides a guideline on the application of characteristic modes(CMs)to radiation problems.

基于边缘智能计算的城市交通感知数据自适应恢复

智能交通系统(intelligent transportation systems,ITSs)被广泛用于智慧城市中,却普遍存在感知数据缺失问题.而交通感知站点有限的存储计算能力严重制约感知数据的恢复,极大影响ITSs的正常使用.虽然可以利用边缘节点强大的存储计算能力解决这个困境,但边缘节点部署的高复杂性和感知数据时空相关性的高动态性对数据精确恢复提出挑战.为了解决上述挑战,提出基于边缘智能计算的城市交通感知数据自适应恢复系统.具体地,首先利用子模优化理论,提出具有理论下界的边缘节点次优部署分配算法.然后,基于低秩理论恢复感知数据,并基于恢复结果估计非缺失下限,通过反馈自适应调整感知站点的数据上传比例,从而保证数据精确恢复.最后,基于澳大利亚600个交通站点1年的感知数据构建原型系统,对所提算法进行评估.实验结果表明,所提算法的边缘节点部署性能达到最优性能的90%以上,缺失数据恢复精度比3种对比方法提高43.8%以上.同时,自适应数据恢复能够平均提高精度40.3%.

Thermodynamic model of lead oxide activity in PbO-CaO-SiO_2-FeO-Fe_2O_3 slag system

According to the ion and molecule coexistence theory, a thermodynamic model of lead oxide activity in PbO-CaO-SiO2-FeO-Fe2O3 slag system was established at the temperature of 1273-1733 K. The activities of Pb O in slag were calculated, and their equal activity curves were plotted. The influences of slag basicity Q, iron oxide rate R and temperature T on activity NPb O and activity coefficient γPbO were also investigated. Results show that the calculated values of γPb O are in good agreement with the reported experimental data, showing that the model can wholly embody the slag structural characteristics. NPbO departures positively from Raoult values, and increases with increasing Pb O content in slag but changes little with T. γPbO increases with increasing Q, and goes through the maximum with increasing R for basic slag（Q0.3）. Results can be applied to the thermodynamic research and operational optimization of modern lead smelting technologies.

Anisotropy of Thermal-expansion for β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine： Quantum Chemistry Calculation and Molecular Dynamics Simulation

Molecular dynamics simulations on octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine （HMX） at 303-383 K and atmospheric pressure are carried out under NPT ensemble and COMPASS force field, the equilibrium structures at elevated temperatures were obtained and showed that the stacking style of molecules don＇t change. The coefficient of thermal expansion （CTE） values were calculated by linear fitting method. The results show that the CTE values are close to the experimental results and show anisotropy. The total energies of HMX cells with separately increasing expansion rates （100%-105%） along each crystallographic axis was calculated by periodic density functional theory method, the results of the energy change rates are anisotropic, and the correlation equations of energy change-CTE values are established. Thus the hypostasis of the anisotropy of HMX crystal＇s thermal expansion, the determinate molecular packing style, is elucidated.

Theoretical Calculations of Transition Probabilities and Oscillator Strengths for Sc（Ⅲ） and Y（Ⅲ）

The Weakest Bound Electron Potential Model theory is used to calculate transition probability-values and oscillator strength-values for individual lines of Sc（Ⅲ） and Y（Ⅲ）. In this method, by solving the SchrSdinger equation of the weakest bound electron, the expressions of energy eigenvalue and the radial function can be obtained. And a coupled equation is used to determine the parameters which are needed in the calculations. The ob- tained results of Sc（III） from this work agree very well with the accepted values taken from the National Institute of Standards and Technoligy （NIST） data base, most deviations are within the accepted level. For Y（Ⅲ） there are no accepted values reported by the NIST data base. So we compared our results of Y（Ⅲ） with other theoretical results, good agreement is also obtained.

Relatively Injective Modules with Respect to Torsion Theory

For a hereditary torsion theory τ, this paper mainly discuss properties of A-τ-injective modules, where A is a fixed left R-module. It is proved that if M is an A-τ-injective, B is a submodule of A, then 1） M is A/B-τ-injective; 2） M is B-τ-injective when B is τ-dense in A. Furthermore, we show that if A1,A2,... An, are relatively injective modules, then A1 A2 ... An is self-τ-injective if and only if A1 is self-τ-injective for each i.

~ Transform Demonstration of Dark Soliton Solutions Found by Inverse Scattering

One of the basic problems about the inverse scattering transform for solving a completely integrable nonlinear evolutions equation is to demonstrate that the Jost solutions obtained from the inverse scattering equations of Cauchy integral satisfy the Lax equations. Such a basic problem still exists in the procedure of deriving the dark soliton solutions of the NLS equation in normal dispersion with non-vanishing boundary conditions through the inverse scattering transform. In this paper, a pair of Jost solutions with same analytic properties are composed to be a 2 × 2 matrix and then another pair are introduced to be its right inverse confirmed by the Liouville theorem. As they are both 2 × 2 matrices, the right inverse should be the left inverse too, based upon which it is not difficult to show that these Jost solutions satisfy both the first and second Lax equations. As a result of compatibility condition, the dark soliton solutions definitely satisfy the NLS equation in normal dispersion with non-vanishing boundary conditions.

A Molecular Thermodynamic Model for Interfacial Tension in Surfactant-Oil-Water System

An interfacial equation of state based on perturbation theory for surfactant-oil-water system has been developed. By combining the interfacial equation of state with Boudh-Hir and Mansoori's model, a molecular ther-modynamic model has been proposed. The interfacial tension of surfactant-oil-water systems can be calculated from the surface tensions of pure oil and water by this model. The interfacial tension data for sodium dodecyl sulphate-heptane-water system, polyoxyethylene n-octylphenol-heptane-water system and hexadecyl trimethyl ammonium bromide-heptane-water system have been correlated. By using the adjustable parameters obtained, the interfacial tensions of these systems at other temperatures have been predicted. Both the correlated and the predicted values are satisfactory.

Shell Model for Elastic and Thermodynamic Properties of Gallium Nitride with Hexagonal Wurtzite Structure

Shell model molecular dynamic simulation with interatomic pair potential is utilized to investigate the elastic and thermodynamic properties of gallium nitride with hexagonal wurtzite structure （w-GaN） at high pressure. The calculated elastic constants Cij at zero pressure and 300 K agree well with the experimental data and other calculated values. Meanwhile, the dependences of the relative volume V/Vo, elastic constants Cij, entropy S, enthalpy H, and heat capacities Cv and Up on pressure are successfully obtained. From the elastic constants obtained, we also calculate the shear modulus G, bulk modulus B, Young＇s modulus E, Poisson＇s ratio v, Debye temperature ΘD, and shear anisotropic factor Ashear on pressures.

A New Algebraic Method and Its Application to Nonlinear Klein-Gordon Equation

In terms of the solutions of the generalized Riccati equation,a new algebraic method,which contains theterms of radical expression of functions f(ξ),is constructed to explore the new exact solutions for nonlinear evolutionequations.Being concise and straightforward,the method is applied to nonlinear Klein Gordon equation,and some newexact solutions of the system are obtained.The method is of important significance in exploring exact solutions for othernonlinear evolution equations.

Supersolid Phase in One-Dimensional Hard-Core Boson Hubbard Model with a Superlattice Potential

The ground state of the one-dimensional hard-core boson Hubbard model with a superlattice potential is studied by quantum Monte Carlo methods. We demonstrate that besides the CDW phase and the Mott insulator phase, the supersolid phase emerges due to the presence of the superlattice potential, which reflects the competition with the hopping term. We also study the densities of sublattices and have a clear idea about the distribution of the bosons on the lattice.

Evolution of Bond-Order-Wave Phase in One-Dimensional Mott Insulators

In this paper, by using the level spectroscopy method and bosonization theory, we discuss the evolution of the bond-order-wave （BOW） phase in a one-dimensional half-filled extended Hubbard model wlth the on-site Coulomb repulsion U as well as the inter-site Coulomb repulsion V and antiferromagnetic exchange J. After clarifying the generic phase diagrams in three limiting cases with one of the parameters being fixed at zero individually, we find that the BOW phase in the U-V phase diagram is initially enlarged as J increases from zero but is eventually suppressed as J increases further in the strong-coupling regime. A three-dimensional phase diagram is suggested where the BOW phase exists in an extended region separated from the spin-density-wave and charge-density-wave phases.

Theoretical study of NO adsorbed on the surface of TiO2（110） cluster model

The chemisorption properties of N^18O adsorption on TiO2(110) surface were investigated by experimental and theoretical methods. The results of temperature programmed desorption (TPD) indicated that the temperatures of the three desorption peaks of the main N2 molecules were at (low) temperature of 230 K, 450 K, and (high) temperature of 980 K. This meant that N^18O decomposed and recombined during the process of N2 desorption after N^18O was exposed. Analysis of thestable combination and orbital theory calculation of the surface reaction of NO adsorption on the TiO2(110) cluster modelshowed that there was clear preference for the Ti-NO orientation.

The Critical Properties of One—Dimensional Extended Hubbard Model

In the framework of nonperturbative quantum field theory, the critical phenomena of one-dimensionalextended Hubbard model (EHM) at half-filling are discussed from weak to intermediate interactions. After the EHMbeing mapped into two decoupled sine-Gordon models, the ground state phase diagram of the system is derived in anexplicit way. It is confirmed that the coexisting phases appear in different interaction regimes which cannot be foundby conventional theoretical methods. The diagram shows that there are seven different phase regions in the groundstate, which seems not to be the same as previous discussions, especially the boundary between the phase separationand condensed phase regions. The phase transition properties of the model between various phase regions are studied indetail.

High Energy Proton-Proton Elastic Scattering in Reggeon-Pomeron Exchange Model

We initially propose a Reggeon-Pomeron exchange model to describe proton-proton elastic scattering at high energies in this short paper. A calculation for total cross section of proton-proton elastic scattering at high energies is performed without any free parameters. Our new finding from this work is that the Reggeon-Pomeron model gives a perfect fit to experimental data of the total cross section at the whole energy region where experimental data exist.

Electron Dispersion in Liquid Alkali and Their Alloys

Ashcroft＇s local empty core （EMC） model pseudopotential in the second-order perturbation theory is used to study the electron dispersion relation, the Fermi energy, and deviation in the Fermi energy from free electron value for the liquid alkali metals and their equiatomic binary alloys for the first time. In the present computation, the use of pseudo-alloy-atom model （PAA） is proposed and found successful. The influence of the six different forms of the local field correction functions proposed by Hartree （H）, Vashishta Singwi （VS）, Taylor （T）, lehimaru-Utsumi （IU）, Farid et al. （F）, and Sarkar et al. （S） on the aforesaid electronic properties is examined explicitly, which reflects the varying effects of screening. The depth of the negative hump in the electron dispersion of liquid alkalis decreases in the order Li --→ K, except for Rb and Cs, it increases. The results of alloys are in predictive nature.

Heat Transport of Electron-Doped Cobaltates

Within the t-J model, the heat transport of electron-doped cobaltates is studied based on the fermionspin theory. It is shown that the temperature-dependent thermal conductivity is characterized by the low-temperature peak located at a finite temperature. The thermal conductivity increases monotonously with increasing temperature at low-temperatures T 〈 0.1 J, and then decreases with increasing temperature for higher temperatures T 〉 0.1 J, in qualitative agreement with experimental result observed from NaxCoO2.

Catalytic roles of the acid sites in different pore channels of H‐ZSM‐5 zeolite for methanol‐to‐olefins conversion

H‐ZSM‐5 zeolite is a typical catalyst for methanol‐to‐olefins(MTO)conversion.Although the performance of zeolite catalysts for MTO conversion is related to the actual location of acid sites in the zeolite framework,the catalytic roles of the acid sites in different pore channels of the H‐ZSM‐5 zeolite are not well understood.In this study,the MTO reaction network,involving the aromatic cycle,alkene cycle,and aromatization process,and also the diffusion behavior of methanol feedstock and olefin and aromatic products at different acid sites in the straight channel,sinusoidal channel,and intersection cavity of H‐ZSM‐5 zeolite was comparatively investigated using density functional theory calculations and molecular dynamic simulations.The results indicated that the aromatic cycle and aromatization process occurred preferentially at the acid sites in the intersection cavities with a much lower energy barrier than that at the acid sites in the straight and sinusoidal channels.In contrast,the formation of polymethylbenzenes was significantly suppressed at the acid sites in the sinusoidal and straight channels,whereas the alkene cycle can occur at all three types of acid sites with similar energy barriers and probabilities.Consequently,the catalytic performance of H‐ZSM‐5 zeolite for MTO conversion,including activity and product selectivity,can be regulated properly through the purposive alteration of the acid site distribution,viz.,the location of Al in the zeolite framework.This study helps to elucidate the relation between the catalytic performance of different acid sites in the H‐ZSM‐5 zeolite framework for MTO conversion,which should greatly benefit the design of efficient catalyst for methanol conversion.

Mode-Coupling Theory for Glass Transition of Active-Passive Binary Mixture

Collective behaviours of active particle systems have gained great research attentions in re- cent years. Here we present a mode-coupling theory （MCT） framework to study the glass transition of a mixture system of active and passive Brownian particles. The starting point is an eff）ctive Smoluchowski equation, which governs the dynamics of the probability dis- tribution function in the position phase space. With the assumption of the existence of a nonequilibrium steady state, we are able to obtain dynamic equations for the intermediate scattering functions （ISFs）, wherein an irreducible memory function is introduced which in turn can be written as functions of the ISFs based on standard mode-coupling approximations. The effect of particle activity is included through an effective difIusion coefficient which can be obtained via short time simulations. By calculating the long-time limit of the ISF, the Debye-Waller （DW） factor, one can determine the critical packing fraction ηc of glass transition. We find that for active-passive （AP） mixtures with the same particle sizes, ηc increases as the partial fraction of active particle xA increases, which is in agreement with previous simulation works. For system with different active/passive particle sizes, we find an interesting reentrance behaviour of glass transition, i.e., ηc shows a non-monotonic dependence on xa. In addition, such a reentrance behaviour would disappear if the particle activity is large enough. Our results thus provide a useful theoretical scheme to study glass transition behaviour of active-passive mixture systems in a promising way.

Splitting of Spectra in Anharmonic Oscillators Described by Kratzer Potential Function

A perturbation theory model that describes splitting of the spectra in highly symmetrical molecular species in electrostatic field is proposed. An anahrmonie model of a two-dimensional oscillator having Kratzer potential energy function is used to model the molecular species and to represent the unperturbed system. A selection rule for the radial quantum number of the oscillator is derived. The eigenfunctions of a two-dimensional anharmonic oscillator in cylindrical coordinates are used for the matrix elements representing the probability for energy transitions in dipole approximation to be calculated. Several forms of perturbation operators are proposed to model the interaction between the polyatomic molecular species and an electrostatic field. It is found that the degeneracy is removed in the presence of the electric field and spectral splitting occurs. Anharmonic approximation for the unperturbed system is more accurate and reliable representation of a reaJ polyatomic molecular species.