Non-Thermal Effects on CO-NO Surface Catalytic Reaction on Square Surface： Monte Carlo Study

A Monte Carlo simulation of the CO-NO heterogeneous catalytic reaction over a square surface has already been studied with a model based on the Langmuir-Hinshelwood (LH) mechanism. The results of this study are well known. Here we study the effects of transient non-thermal mobility of monomer (CO) based on precursor mechanism, diffusion of adsorbed nitrogen and oxygen atoms, on the phase diagram. The interesting feature of this model is the yield of a steady reactiw window, while simple LH mechanism is not capable of producing a steady reactive state.     

An Experimental Study of In-Situ Phase Fraction in Jet Pump Using Electrical Resistance Tomography Technique

We perform the experiments to investigate in-situ phase fraction in a jet pump using the electrical resistance tomography （ERT） technique. A new jet pump with ERT sensors is designed to measure in-situ phase fraction and flow regime. The study is based on laboratory experiments that are carried out on a 50-mm vertical flow rig for various gas and liquid phase superficial velocities. The different flow patterns of gas liquid in the jet pump and vertical pipe are studied using the ERT technique. The results suggest that the ERT system can be used to successfully produce images of gas-liquid flow patterns with frames rates of 58 fps and the in-situ phase fraction with frame rates of 5 fps can be obtained. The visualizations of a rapid mixing process in the throat of a jet pump obtained in this work provide a reliable basis for theoretical study and optimal design of jet pumps.     

Cluster Evolution in undercooled Melt and Solidification of Undercooled Ge—based Alloy Melts Induced by Extrinsic Clusters

The structure or short-range order of clusters in undercooled metallic melts is influenced,to some extent,by the interfacial free energy between the cluster and the melt.Analyses of the effects of interfacial energy on the cluster structure based on the Gibbs equation show a possibility that atoms in the clusters tend to be packed more loosely with the increasing cluster size(or the undercooling),Nucleation may occur,following these analyses,when clusters reach a definite size and atoms in the clusters relax to some extent to form the crystal structure.Indirect support to this viewpoint is provided by the present results of cluster-induced nucleation experiments on undercooled Ge3.7Ni26.3 alloy melts.     

Formation mechanism of ordered stress-relief patterns in a free sustained Cu film system

A nearly free sustained copper （Cu） film system has been successfully fabricated by thermal evaporation deposition of Cu atoms on silicone oil surfaces, and a characteristic ordered pattern has been systematically studied. The ordered pattern, namely, band, is composed of a large number of parallel key-formed domains with different width w but nearly uniform length L; its characteristic values of w and L are very susceptible to the growth period, deposition rate and nominal film thickness. The formation mechanism of the ordered patterns is well explained in terms of the relaxation of the internal stress in the films, which is related to the nearly zero adhesion of the solid-liquid interface. By using a two-time deposition method, it is confirmed that the ordered patterns really form in the vacuum chamber.     

Numerical simulation of the initial plasma formation and current transfer in single-wire electrical explosion in vacuum

In this paper, a computational model is constructed to investigate the phenomenon of the initial plasma formation and current transfer in the single-wire electrical explosion in a vacuum. The process of the single-wire electrical explosion is divided into four stages. Stage Ⅰ: the wire is in solid state. Stage Ⅱ: the melting stage. Stage Ⅲ: the wire melts completely and the initial plasma forms. Stage IV: the core and corona expand separately. The thermodynamic calculation is applied before the wire melts completely in stages Ⅰ and Ⅱ. In stage Ⅲ, a one-dimensional magnetohydrodynamics model comes into play until the instant when the voltage collapse occurs. The temperature, density, and velocity, which are derived from the magnetohydrodynamics calculation, are averaged over the distribution area. The averaged parameters are taken as the initial conditions for stage Ⅳ in which a simplified magnetohydrodynamics model is applied. A wide-range semi-empirical equation of state, which is established based on the Thomas-Fermi-Kirzhnits model, is constructed to describe the phase transition from solid state to plasma state. The initial plasma formation and the phenomenon of current transfer in the electrical explosion of aluminum wire are investigated using the computational model. Experiments of electrical explosion of aluminum wires are carried out to verify this model. Simulation results are also compared with experimental results of the electrical explosion of copper wire.     

Theoretical Studies on Expressions of Condensed-Phase Photoionization Cross Section

A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell＇s equations and the Beer-Lambert＇s law in this work. The applications are performed for the photoionization process of solid gold both in the Clausius-Mossotti （virtual cavity） model and the Glauber-Lewenstein （real cavity） model firstly. The results show that the present theoretical expressions of photoionization cross section can be used to describe the photoionization process of atoms in condensed matter properly.     

Viscosity Characteristic in Metallic Melts with Medium／Short-Range Order Structures

Viscosities and liquid structure of alloys Cu75Al25, Cu87Sn13 and Al-12.5%Si and pure metals Cu and Sn are investigated by using torsional oscillation viscometry and high temperature x-ray diffractometry. The viscosities of pure metals and eutectic alloy melts along with the short-range order structure are found to follow the Arrhenius law in a wide range of temperature above the liquidus. The breakpoints in Arrhenius plots emerge when the structures of alloy melts are transformed from the medium-range order structure to the short-range order structure. It has been found that the change of the viscosity of the metallic alloys is a characteristic of microstructure transformation in the related melts.     

A new magneto-cardiogram study using a vector model with a virtual heart and the boundary element method

A cardiac vector model is presented and verified, and then the forward problem for cardiac magnetic fields and electric potential are discussed based on this model and the realistic human torso volume conductor model, including lungs. A torso-cardiac vector model is used for a 12-lead electrocardiographic (ECG) and magneto-cardiogram (MCG) simulation study by using the boundary element method (BEM). Also, we obtain the MCG wave picture using a compound four-channel HTc ·SQUID system in a magnetically shielded room. By comparing the simulated results and experimental results, we verify the cardiac vector model and then do a preliminary study of the forward problem of MCG and ECG. Therefore, the results show that the vector model is reasonable in cardiac electrophysiology.     

Two-colour coherent control of multiphoton ionization： a comparison between long-range and short-range potential model atoms

Using the numerical solution of the time-dependent Schr\"odinger equation of a one-dimensional model atom in a two-colour laser field, we have investigated the effects of the potential models on coherent control of atomic multiphoton ionization. It is found that the photoelectron spectra are obviously different for the long-range (Coulomb-like) and short-range (with no excited bound states) potential model atoms, which are produced by two-colour coherent control of atomic multiphoton ionization in a few laser cycles. Our results indicate that two-colour coherent control of atomic multiphoton ionization can be observed in simulations, depending on the choice of the model potentials.     

Study of Phase Transition Properties in Epitaxial Ferroelectric Film

Based on the transverse Ising model and using decoupling approximation to the Fermi-type Green＇s function, we study the phase transition properties of the epitaxial ferroeleetric film with one substrate. A general recursive equation of the ferroelectric thin film with two n-layer materials is obtained, which enables us to study the phase transition properties for any number layers for epitaxial ferroelectric thin film. With the help of this equation, we analyze the effect of the exchange interaction and the transverse field in the phase diagram, the influence to the polarizations and Curie temperature numerically. The results show that epitaxial ferroelectric film are able to induce a strong increase or decrease of Curie temperature to different exchange interactions and transverse fields within the epitaxial film layers. The theoretical results are in reasonable accordance with experimental data of different ferroelectric thin film.     

Density functional theory study on the structure and properties of Si3N4 clusters

The hybrid density functional theory B3LYP with basis sets 6-31G＊ has been used to study on the equilibrium geometries and electronic structures of possible isomers of Si3N4 clusters. 24 possible isomers are obtained. The most stable isomer of Si3N4 is a 3D structure with 7 Si-N bonds and 2 N-N bonds that could beformed by 3 quadrangles. The bond properties of the most stable isomer was analyzed by using natural bond orbital method （NBO）, the results suggest that the charges on Si and N atoms in Si-N bonds are quite large, so theinteraction of N-Si atoms in Si3N4 cluster is of strongly electric interaction. The primary IR and Raman vibrational frequency located at 1033.40 cm^-1, 473.63 cm^-1 respectively. The polarizabilities and hyperpolarizabilities of the most stable isomer are also analyzed.     

Electronic structures and magnetic couplings of B-, C-, and N-doped BeO

The electronic structures and magnetic properties of B-, C-, and N-doped BeO supercells are investigated by means of ab initio calculations using density functional theory. The magnetic exchange constants of C-doped BeO at different doping levels are also calculated. A phenomenological band structure model based on p-d exchange-like p-p level repulsion between the dopants is proposed to explain the magnetic ground states in B-, C-, and N-doped BeO systems. The evolution from the antiferromagnetic phase to the ferromagnetic phase of C-doped BeO supercell with C concentration decreasing can also be well explained using this model. The findings in this study provide a simple guide for the design of band structure for a magnetic sp-electron semiconductor.     

Entangled multi-knot lattice model of anyon current

We proposed an entangled multi-knot lattice model to explore the exotic statistics of anyons. Long-range coupling interaction is a fundamental character of this knot lattice model. The short-range coupling models, such as the Ising model,Hamiltonian model of quantum Hall effect, fermion pairing model, Kitaev honeycomb lattice model, and so on, are the short-range coupling cases of this knot lattice model. The long-range coupling knot lattice model bears Abelian and nonAbelian anyons, and shows integral and fractional filling states like the quantum Hall system. The fusion rules of anyons are explicitly demonstrated by braiding crossing states. The eigenstates of quantum models can be represented by a multilayer link lattice pattern whose topology is characterized by the linking number. This topological linking number offers a new quantity to explain and predict physical phenomena in conventional quantum models. For example, a convection flow loop is introduced into the well-known Bardeen–Cooper–Schrieffer fermion pairing model to form a vortex dimer state that offers an explanation of the pseudogap state of unconventional superconductors, and predicts a fractionally filled vortex dimer state. The integrally and fractionally quantized Hall conductance in the conventional quantum Hall system has an exact correspondence with the linking number in this multi-knot lattice model. The real-space knot pattern in the topological insulator model has an equivalent correspondence with the Lissajous knot in momentum space. The quantum phase transition between different quantum states of the quantum spin model is also directly quantified by the change of topological linking number, which revealed the topological character of phase transition. Circularized photons in an optical fiber network are a promising physical implementation of this multi-knot lattice, and provide a different path to topological quantum computation.     

Research on spatial-variant property of bistatic ISAR imaging plane of space target

The imaging plane of inverse synthetic aperture radar(ISAR) is the projection plane of the target. When taking an image using the range-Doppler theory, the imaging plane may have a spatial-variant property, which causes the change of scatter’s projection position and results in migration through resolution cells. In this study, we focus on the spatial-variant property of the imaging plane of a three-axis-stabilized space target. The innovative contributions are as follows. 1) The target motion model in orbit is provided based on a two-body model. 2) The instantaneous imaging plane is determined by the method of vector analysis. 3) Three Euler angles are introduced to describe the spatial-variant property of the imaging plane, and the image quality is analyzed. The simulation results confirm the analysis of the spatial-variant property. The research in this study is significant for the selection of the imaging segment, and provides the evidence for the following data processing and compensation algorithm.     

Soliton fusion and fission for the high-order coupled nonlinear Schr?dinger system in fiber lasers

With the rapid development of communication technology,optical fiber communication has become a key research area in communications.When there are two signals in the optical fiber,the transmission of them can be abstracted as a high-order coupled nonlinear Schr¨odinger system.In this paper,by using the Hirota’s method,we construct the bilinear forms,and study the analytical solution of three solitons in the case of focusing interactions.In addition,by adjusting different wave numbers for phase control,we further discuss the influence of wave numbers on soliton transmissions.It is verified that wave numbers k₁₁,k₂₁,k₃₁,k₂₂,and k₃₂can control the fusion and fission of solitons.The results are beneficial to the study of all-optical switches and fiber lasers in nonlinear optics.     

Calculations on polarization properties of alkali metal atoms using Dirac–Fock plus core polarization method

A semi-empirical atomic structure model method is developed in the framework of a relativistic case. This method starts from Dirac-Fock calculations using B-spline basis set. The core-valence electron correction is then treated in a semiempirical core polarization potential. As an application, the polarization properties of alkali metal atoms, including the static polarizabilities and long-range two-body dispersion coefficients, have been calculated. Our results are in good agreement with the results obtained from ab initio relativistic many-body perturbation method and the available experimental measurements.     

Numerical Analysis and Comparison of Three Metal-Oxide-Type Super-Resolution Near Field Structures

Based on the Fresnel-Kirchhoff diffraction theory, we build up a Gaussian diffraction model of metal-oxide-type super-resolution near field structure （super-liENS）, which can describe far field optical properties. The spectral contrast induced by refractive index and the structural changes in AgOg, PtOx and PdOz thin films, which are the key functional layers in super-RENS, are studied by using this model. Comparison results indicate that the spectral contrast depends intensively on the laser-induced distribution and change of the refractive index in the metal-oxide films. The readout mechanism of the metal-oxide-type super-RENS optical disc is further clarified. This Gaussian diffraction model can be used as a simple and effective method for choosing proper active materials in super-RENS.     

Theoretical Studies on Expressions of Condensed-Phase Photoionization Cross Section

A set of general expressions for photoionization cross sections of atoms or molecules embedded in a medium and a dielectric influence function are derived based on Maxwell‘s equations and the Beer-Lambert‘s law in this work.The applications are performed for the photoionization process of solid gold both in the Clausius-Mossotti (virtual cavity) model and the Glauber-Lewenstein (real cavity) model firstly. The results show that the present theoretical expressions of photoionization cross section can be used to describe the photoionization process of atoms in condensed matter properly.     

Structure and dynamics of ordered water in a thick nanofilm on ionic surfaces

The structure and dynamics of water in a thick film on an ionic surface are studied by molecular dynamic simulations. We find that there is a dense monolayer of water molecules in the vicinity of the surface. Water molecules within this layer not only show an upright hydrogen-down orientation, but also an upright hydrogen-up orientation. Thus, water molecules in this layer can form hydrogen bonds with water molecules in the next layer. Therefore, the two-dimensional hydrogen bond network of the first layer is disrupted, mainly due to the O atoms in this layer, which are affected by the next layer and are unstable. Moreover, these water molecules exhibit delayed dynamic behavior with relatively long residence time compared with those bulk-like molecules in the other layers. Our study should be helpful to further understand the influence of water film thickness on the interfacial water at the solid-liquid interface.     

Instability in Two-Sided Thermocapillary-Buoyancy Convection with Interfacial

A new model of two-phase thermocapillary-buoyancy convection with phase change at gas-liquid interface in an enclosed cavity subjected to a horizontal temperature gradient is proposed,rather than the previous onesided model without phase change.We study the onset of multicellular convection and two inodes of convective instability,and find four different flow regimes.Their transition map is compared with the non-phase-change condition.Our numerical results show the stabilizing effect of interfacial phase change on the thermocapillarybuoyancy convection.