Coupling Modeling for Functional Surface of Electronic Equipment

High performance electromechanical equipment is widely used in various fields, such as national defense, industry and so on [ 1]. In addition, the technical level of high performance electromechanical equipment is the embodiment of the national level of science and technology.

Dynamic Coupling Correlation of Gas Film in Dry Gas Seal with Spiral Groove

In working state, the dynamic performance of dry gas seal, generated by the rotating end face with spiral grooves, is determined by the open force of gas film and leakage flow rate. Generally, the open force and the leakage flow rate can be obtained by finite element method, computational fluid dynamics method and experimental measurement method. However, it will take much time to carry out the above measurements and calculations. In this paper, the approximate model of parallel grooves based on the narrow groove theory is used to establish the dynamic equations of the gas film for the purpose of obtaining the dynamic parameters of gas film. The nonlinear differential equations of gas film model are solved by Runge-Kutta method and shooting method. The numerical values of the pressure profiles, leakage flux and opening force on the seal surface are integrated, and then compared to experimental data for the reliability of the numerical simulation. The results show that the numerical simulation curves are in good agreement with experimental values. Furthermore, the opening force and the leakage flux are proved to be strongly correlated with the operating parameters. Then, the function-coupling method is introduced to analyze the numerical results to obtain the correlation formulae of the opening force and leakage flux respectively with the operating parameters, i.e., the inlet pressure and the rotating speed. This study intends to provide an effective way to predict the aerodynamic performance for designing and optimizing the groove styles in dry gas seal rapidly and accurately.

An Improved Coupling of Numerical and Physical Models for Simulating Wave Propagation

An improved coupling of numerical and physical models for simulating 2D wave propagation is developed in this paper. In the proposed model, an unstructured finite element model （FEM） based Boussinesq equations is applied for the numerical wave simulation, and a 2D piston-type wavemaker is used for the physical wave generation. An innovative scheme combining fourth-order Lagrange interpolation and Runge-Kutta scheme is described for solving the coupling equation. A Transfer function modulation method is presented to minimize the errors induced from the hydrodynamic invalidity of the coupling model and/or the mechanical capability of the wavemaker in area where nonlinearities or dispersion predominate. The overall performance and applicability of the coupling model has been experimentally validated by accounting for both regular and irregular waves and varying bathymetry. Experimental results show that the proposed numerical scheme and transfer function modulation method are efficient for the data transfer from the numerical model to the physical model up to a deterministic level.

Impact of coupling function on stability of synchronization for complex dynamical networks

In this paper, the coupling function of the complex dynamical networks was generalized, and the conditions for the stability of synchronization were given. We illustrate the impact of coupling function on the synchronization of complex dynamical networks, that is, the coupling strength can not assure the stability of synchronization when the coupling function is linear. However we can modulate coupling function to achieve stability of synchronization without changing coupling strength.

A Spin-orbit Coupling Study on the Quinoline-and Porphyrin-based Photosensitizers

The spin-orbit coupling（SOC） of four porphyrin- and quinoline-based compounds has been studied using Pauli-Breit SOC operator with one- and two-electron terms. The results revealed that the yield of singlet oxygen is affected by the spin-orbit coupling matrix element involving the emitting triplet and the perturbing singlet state. Investigated quinoline-based compounds have more high SOC values than those porphyrin-based compounds due to spin parallel electron pairs of oxygen. The open shell d8 of metal Pt can induce the stronger exchange interactions than the closed shell p6 of metal Mg, resulting in bigger SOC matrix element in quinoline-based Pt complex than in the quinoline-based Mg complex. Simultaneously, potential energy curves of the first excited sate and the first triplet sate have been calculated, which proves that all investigated complexes can induce singlet oxygen. These computational findings support quinolin-based compounds have high singlet oxygen yields and provide a rigorous basis for predicting the probability of singlet oxygen yields in plane-type molecules.

Transcription's bubble under the influence of long-range interactions and helicoidal coupling

The influence of power-low long-range interactions （LRI） and helicoidal coupling （HC） on the properties of localized solitons in a DNA molecule when a ribonucleic acid polymerase （RNAP） binds to it at the physiological temperature is analytically and numerically investigated in this paper. We have made an analogy with the Heisenberg model Hamiltonian of an anisotropic spin ladder with ferromagnetic legs and anti-ferromagnetic rung coupling. When we limit ourselves to the second-order terms in the Taylor expansion, the DNA dynamics is found to be governed by a completely integrable nonlinear Schr？dinger （NLS） equation. In this case, results show that increasing the value of HC force or LRI parameter enhances the bubble height and reduces the number of base pairs which form the bubble. For the fourth-order terms in a Taylor expansion, results are closely resembling those of second-order terms, and are confirmed by numerical investigation. These results match with some experimental data and thus provide a better representation of the base pairs opening in DNA which is essential for the transcription process.

Impact of coupling geometry on thermoelectric properties of oligophenyl-base transistor

Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in the linear response regime using Green＇s function formalism. We used thiol-terminated（–SH bond） benzene units and found a positive thermopower because the highest occupied molecular orbital（HOMO） is near the Fermi energy level. We investigated the influence of molecular length and molecular junction geometry on the thermoelectric properties. Our results show that the thermoelectric properties are highly sensitive to the coupling geometry and the molecular length. In addition, we observed that the interference effects and increasing molecular length can increase the thermoelectric efficiency of device in a specific configuration.

Composite multiscale coherence and application to functionalcorticomuscular coupling

Though coherence, a classical method to describe the linear correlation between two time series, has wideranging applications, from economics to neuroscience, it fails to illustrate the inherently multi-time scalesbased correlations. In this paper, we proposed a multiscale-like coherence model, defined as composite multiscalecoherence (CMSC) by combining the kth coarse-grain processing with the coherence. We made a comparison withthe multiscale coherence (MSC) with coarse-grain process in numerical data to compare the sensitivity profiles tothe coupling strength, data length and white Gaussian noise. After that, we applied the proposed model to explorethe functional corticomuscular coupling (FCMC) by analyzing the correlation between the EEG and EMG signals.Simulation results reflected that the CMSC method were sensitive to the coupling strength, data length and thewhite Gaussian noise, and presented more stability along the time scale compared to the MSC method. Ourapplication of CMSC methods on the EEG and EMG signals indicated that the FCMC was of multi-time scalecharacteristics and higher coherence mainly consisted in the alpha and beta bands at about scale 10, thoughsignificant area showed a gradual decline with the scale increasing. Further comparison indicated that bothmodels are equally effective to describe the multiscale characteristics of the FCMC at lower time scales, whilesome differences emerge at the high time scales. Both simulation and experimental data demonstrate the effectiveness of the proposed multiscale-like model to describe the multiscale correlation between two time series. Thisstudy extends the relative researches on the FCMC to the multi-time scale.

Selective Aberrant Functional–Structural Coupling of Multiscale Brain Networks in Subcortical Vascular Mild Cognitive Impairment

Subcortical vascular mild cognitive impairment(svMCI)is a common prodromal stage of vascular dementia.Although mounting evidence has suggested abnormalities in several single brain network metrics,few studies have explored the consistency between functional and structural connectivity networks in svMCI.Here,we constructed such networks using resting-state f MRI for functional connectivity and diffusion tensor imaging for structural connectivity in 30 patients with svMCI and 30 normal controls.The functional networks were then parcellated into topological modules,corresponding to several well-defined functional domains.The coupling between the functional and structural networks was finally estimated and compared at the multiscale network level(whole brain and modular level).We found no significant intergroup differences in the functional–structural coupling within the whole brain;however,there was significantly increased functional–structural coupling within the dorsal attention module and decreased functional–structural coupling within the ventral attention module in the svMCI group.In addition,the svMCI patients demonstrated decreased intramodular connectivity strength in the visual,somatomotor,and dorsal attention modules as well as decreased intermodular connectivity strength between several modules in the functional network,mainly linking the visual,somatomotor,dorsal attention,ventral attention,and frontoparietal control modules.There was no significant correlation between the altered module-level functional–structural coupling and cognitive performance in patients with svMCI.These findings demonstrate for the first time that svMCI is reflected in a selective aberrant topological organization in multiscale brain networks and may improve our understanding of the pathophysiological mechanisms underlying svMCI.

Analytical potential energy function for the electronic states ~2Π_(1/2) and ~2Π_(3/2) of O_2~x (x=+1,-1)

The splitting of potential energy levels for ground state X^2∏g of O^x2 （x = ＋1,-1） under spin-orbit coupling （SOC） has been calculated by using the spin-orbit （SO） multi-configuration quasi-degenerate perturbation theory （SO-MCQDPT）. Their Murrell-Sorbie （M S） potential functions are gained, and then the spectroscopic constants for electronic states 2^∏1/2 and 2^∏3/2 are derived from the M S function. The vertical excitation energies for O^x2 （x = ＋1,-1） are v[O2＋1^（2∏3/2→X^2∏1/2）] =195.652cm^-1, and v[O2^-1（2^∏1/2 →X^2∏3/2）] =182.568cm^-1, respectively. All the spectroscopic data for electronic states 2^∏1/2 and 2^∏3/2 are given for the first time.

Photon-assisted electronic and spin transport through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm interferometer

We investigate the time-modulated electronic and spin transport properties through two T-shaped three-quantum-dot molecules embedded in an Aharonov-Bohm（A-B） interferometer. By using the Keldysh non-equilibrium Green＇s function technique, the photon-assisted spin-dependent average current is analyzed. The T-shaped three-quantum-dot molecule A-B interferometer exhibits excellent controllability in the average current resonance spectra by adjusting the interdot coupling strength, Rashba spin-orbit coupling strength, magnetic flux, and amplitude of the time-dependent external field.Efficient spin filtering and multiple electron-photon pump functions are exploited in the multi-quantum-dot molecule A-B interferometer by a time-modulated external field.

BSDES IN GAMES,COUPLED WITH THE VALUE FUNCTIONS.ASSOCIATED NONLOCAL BELLMAN-ISAACS EQUATIONS

We establish a new type of backward stochastic differential equations(BSDEs)connected with stochastic differential games(SDGs), namely, BSDEs strongly coupled with the lower and the upper value functions of SDGs, where the lower and the upper value functions are defined through this BSDE. The existence and the uniqueness theorem and comparison theorem are proved for such equations with the help of an iteration method. We also show that the lower and the upper value functions satisfy the dynamic programming principle. Moreover, we study the associated Hamilton-Jacobi-Bellman-Isaacs(HJB-Isaacs)equations, which are nonlocal, and strongly coupled with the lower and the upper value functions. Using a new method, we characterize the pair(W, U) consisting of the lower and the upper value functions as the unique viscosity solution of our nonlocal HJB-Isaacs equation. Furthermore, the game has a value under the Isaacs’ condition.

A convenient,highly-efficient method for preparation of hydroxyl-terminated isotactic poly(propylene) and functional di-block copolymer

Both terminated functional isotactic polypropylene （iPP） and block copolymers containing iPP segment are desirable for commercial applications. This paper provides a convenient, highly-efficient method to prepare hydroxyl-terminated isotactic polypropylene （iPP-t-OH） and functional di-block copolymer containing the iPP segment through a combination of coordination polymerization and coupling reaction. The coordination polymerization was catalyzed by TiCI4/MgCI2/AIEt3 catalyst system using ZnEt2 as chain transfer agent. Further, the Zn-terminated iPP was oxidized and subsequently hydrolyzed to provide iPP-t-OH. Soxhlet extraction and 13C NMR were used to calculate the isotacticity of iPP-t-OH. The degree of polymerization and the number of hydroxyl groups at the chain end of iPP-t-OH were measured by GPC and 1H NMR. Despite the high molecular weight and heterogeneous reaction, iPP-t-OH is effectively linked with PEG-t-NCO to produce di-block copolymers. DSC analysis of the di-block copolymer shows an obvious decrease in Tm and To, which indicated that PEG was successfully linked to the terminal end of iPP.

SIMULATION OF TANK SLOSHING BASED ON OPENFOAM AND COUPLING WITH SHIP MOTIONS IN TIME DOMAIN

Tank sloshing in ship cargo is excited by ship motions, which induces impact load on tank wall and then affects the ship motion. Wave forces acting on ship hull and the retardation function are solved by using three-dimensional frequency domain theory and an impulse response function method based on the potential flow theory, and global ship motion is examined coupling with nonlinear tank sloshing which is simulated by viscous flow theory. Based on the open source Computational Fluid Dynamics （CFD） development platform Open Field Operation and Manipulation （OpenFOAM）, numerical calculation of ship motion coupled with tank sloshing is achieved and the corresponding numerical simulation and validation are carried out. With this method, the interactions of wave, ship body and tank sloshing are completely taken into consideration. This method has quite high efficiency for it takes advantage of potential flow theory for outer flow field and viscous flow theory for inside tank sloshing respectively. The numerical and experimental results of the ship motion agree well with each other.

Synthesis of unnatural amino acids through palladium-catalyzed C(sp^3)-H functionalization

Unnatural a-amino acids have been extensively used in the modern drug discovery and protein engineering studies. They have also found applications in the development of chiral molecular catalysts and the total synthesis of diverse natural products. Accordingly the development of cost-effective approaches for the preparation of unnatural a-amino acids has received increasing attentions. Among all the available methods for this purpose, direct C–H functionalization of simple amino acids represents one of the most attractive approaches because it exhibits good atom-economy and step-efficiency. In particular, selective functionalization of either the primary or secondary C（sp^3）–H bonds in the amino acids has been explored to make versatile C–C, C–N, C–O, C–B and C–F bonds to modify the side chain of amino acids and even peptides. The present review surveys the recent advances of synthesis of chiral unnatural a-amino acids and peptides through palladium-catalyzed functionalization of un-activated C（sp^3）–H bonds.

Buckling Analysis of Axially Functionally Graded and Non-Uniform Beams Based on Timoshenko Theory

In this paper,the buckling behaviors of axially functionally graded and non-uniform Timoshenko beams were investigated.Based on the auxiliary function and power series,the coupled governing equations were converted into a system of linear algebraic equations.With various end conditions,the characteristic polynomial equations in the buckling loads were obtained for axially inhomogeneous beams.The lower and higher-order eigenvalues were calculated simultaneously from the multi-roots due to the fact that the derived characteristic equation was a polynomial one.The computed results were in good agreement with those analytical and numerical ones in literature.

RPA functions as a platform for coupling of nucleosome assembly to DNA replication

Subject Code:C05 With the support by the National Natural Science Foundation of China,the research team led by Dr.Li Qing(李晴)at the State Key Laboratory of Protein and Plant Gene Research,School of Life Sciences and Peking-Tsinghua Center for Life Sciences,Peking University,Beijing,recently reported that

Emergent computation: Virtual reality from disordered clapping to ordered clapping

Using the spontaneously synchronized clapping in a concert hall as a special case, we build a nonlinear emergent model to characterize the collective behaviors of the complex multi-agent systems. Based on this model, we develop an experimental platform for emergent computation, which only depends on the local interaction and reveals the uncertainty and diversity of emergent behaviors. By analyzing the data in the procedure of many hands clapping, we find that there exists an obvious critical region generated in the procedure from disorder to synchronization. More- over, we propose a fundamental synchronous criterion as follows： If the coupling coefficients c1 and c2 satisfy the condition 0.02≤c2=≤0.965c1＋0.018, then the clapping can realize synchronization.

THE EXTENDED JACOBIAN ELLIPTIC FUNCTION EXPANSION METHOD AND ITS APPLICATIONS IN WEAKLY NONLINEAR WAVE EQUATIONS

The extended Jacobian elliptic function expansion method is introduced and applied to solve the coupled ZK equations and the coupled KP equations describing two weakly long nonlinear wave models in fluid system. Many types of doubly periodic traveling wave solutions are obtained. Under limiting conditions these solutions are reduced into solitary wave solutions.

An improved single-π equivalent circuit model for on-chip inductors in GaAs process

An improved single-π equivalent circuit model for on-chip inductors in the GaAs process is presented in this paper. Considering high order parasites, the model is established by comprising an improved skin effect branch and a substrate lateral coupling branch. The parameter extraction is based on an improved characteristic function approach and vector fitting method. The model has better simulation than the previous work over the measured data of 2.5r and 4.5r on-chip inductors in the GaAs process.