Ab initio potential energy surface and anharmonic vibration spectrum of NF_(3)^(+)

Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction(VCI). Based on an iterative algorithm, the surfaces(SURF) program adds automatic points to the lattice representation of the potential function, the one-dimensional and two-dimensional PESs are calculated after reaching a convergence threshold, finally the smooth image of the potential energy surface is fitted. The PESs accurately account for the interaction between the different modes, with the mode q_(6) symmetrical stretching vibrations having the greatest effect on the potential energy change of the whole system throughout the potential energy surface shift. The anharmonic frequencies are obtained when the VCI matrix is diagonalized. Fundamental frequencies, overtones, and combination bands of NF_(3)^(+) are calculated, which generate the degenerate phenomenon between their frequencies. Finally, the calculated anharmonic frequency is used to plot the infrared spectra.Modal antisymmetric stretching ν_(5) and symmetric stretching ν_(6) exhibit a phenomenon of large-intensity borrowing. This study can provide data to support the characterization in the laboratory.

A Study of Compound Action Potentials in Current-Coupled Tracts: the General Case

In this paper, the authors investigate compound action potentials formed when the underlying tract's axons have current-mediated coupling amongst themselves, and no field-mediated coupling. The key finding of the paper is that, for the case of biophysically inhomogeneous axon tracts, the compound action potential is governed by a Hodgkin-Huxley like equation itself in certain cases. The paper extends an earlier result for the identical axon case.

Galvanic coupling and its effect on origin potential flotation system of sulfide minerals

The galvanic coupling formed in origin potential flotation systems of sulfide minerals can be divided （into） three types: sulfide mineral-sulfide mineral-water system; sulfide mineral-steel ball-water system; and sulfide mineral-sulfide mineral-collector system. In this paper, taking lead, zinc, iron sulfide mineral systems for examples, several models of galvanic coupling were proposed and the effects of galvanic coupling on flotation were discussed. A galvanic contact between galena （or sphalerite） and pyrite contributes to decreasing the content of zinc in lead concentrate, and enhances remarkably the absorption of collector on the galena surface. During grinding, due to galvanic interactions between minerals and steel medium, Fe（OH）3 formed covers on the cathodic mineral surface, affecting its floatability.

The role of local field potential coupling in epileptic synchronization

This review hopes to clearly explain the following viewpoints： （1） Neuronal synchronization underlies brain functioning, and it seems possible that blocking excessive synchronization in an epileptic neural network could reduce or even control seizures. （2） Local field potential coupling is a very common phenomenon during synchronization in networks. Removal of neurons or neuronal networks that are coupled can significantly alter the extracellular field potential. Interventions of coupling mediated by local field potentials could result in desynchronization of epileptic seizures. （3） The synchronized electrical activity generated by neurons is sensitive to changes in the size of the extracellular space, which affects the efficiency of field potential transmission and the threshold of cell excitability. （4） Manipulations of the field potential fluctuations could help block synchronization at seizure onset.

Bending localization of nitrous oxide under anharmonicity and Fermi coupling:the dynamical potential approach

This paper studies the vibrational nonlinear dynamics of nitrous oxide with Fermi coupling between the symmetric stretching and bending coordinates by classical dynamical potential approach. This is a global approach in the sense that the overall dynamics is evidenced by the classical nonlinear variables such as the fixed points and the focus are on a set of levels instead of individual ones. The dynamics of nitrous oxide is demonstrated to be not so much dependent on the excitation energy. Moreover, the localized bending mode is shown to be ubiquitous in all the energy range studied.

Coherent charge transport in ferromagnet/semiconductor nanowire/ferromagnet double barrier junctions with the interplay of Rashba spin-orbit coupling, induced superconducting pair potential,and external magnetic field

By solving the Bogoliubov-de Gennes equation, the influence of the interplay of Rashba spin-orbit coupling, induced superconducting pair potential, and external magnetic field on the spin-polarized coherent charge transport in ferromagnet/semiconductor nanowire/ferromagnet double barrier junctions is investigated based on the Blonder-Tinkham-Klapwijk theory. The coherence effect is characterized by the strong oscillations of the charge conductance as a function of the bias voltage or the thickness of the semiconductor nanowire, resulting from the quantum interference of incoming and outgoing quasiparticles in the nanowire. Such oscillations can be effectively modulated by varying the strength of the Rashba spin-orbit coupling, the thickness of the nanowire, or the strength of the external magnetic field. It is also shown that two different types of zero-bias conductance peaks may occur under some particular conditions, which have some different characteristics and may be due to different mechanisms.

Spinor F=1 Bose-Einstein condensates loaded in two types of radially-periodic potentials with spin-orbit coupling

We consider two-dimensional spinor F=1 Bose-Einstein condensates in two types of radially-periodic potentials with spin-orbit coupling,i.e.,spin-independent and spin-dependent radially-periodic potentials.For the Bose-Einstein condensates in a spin-independent radially-periodic potential,the density of each component exhibits the periodic density modulation along the azimuthal direction,which realizes the necklacelike state in the ferromagnetic Bose-Einstein condensates.As the spin-exchange interaction increases,the necklacelike state gradually transition to the plane wave phase for the antiferromagnetic Bose-Einstein condensates with larger spin-orbit coupling.The competition of the spin-dependent radially-periodic potential,spin-orbit coupling,and spin-exchange interaction gives rise to the exotic ground-state phases when the Bose-Einstein condensates in a spin-dependent radially-periodic potential.

Coupling Interactions and Trapped Effects for a Triple-Well Potential

Weak and strong coupling interactions and trapped effects have always played a significant role in understanding physical and chemical properties of materials. Triple-well anharmonic potential may be modeled for interpretation of energy spectra from the nuclear to macro molecular systems, and also crystalline systems. Exact periods of a trapped particle in each well of the potential are explicitly derived. For the extended Duffing system, it is predicted that infinite series of both frequency and spatial trajectory approach to exact results in the limit of weak-coupling cases (g→0).

Potential Predictability of Sea Surface Temperature in a Coupled Ocean-Atmosphere GCM

Using the Flexible Global Ocean-Atmosphere-Land System model （FGOALS） version g1.11, a group of seasonal hindcasting experiments were carried out. In order to investigate the potential predictability of sea surface temperature （SST）, singular value decomposition （SVD） analyses were applied to extract dominant coupled modes between observed and predicated SST from the hindcasting experiments in this study. The fields discussed are sea surface temperature anomalies over the tropical Pacific basin （20~0S-20~0N, 120~0E- 80~0W）, respectively starting in four seasons from 1982 to 2005. On the basis of SVD analysis, the simulated pattern was replaced with the corresponding observed pattern to reconstruct SST anomaly fields to improve the ability of the simulation. The predictive skill, anomaly correlation coefficients （ACC）, after systematic error correction using the first five modes was regarded as potential predictability. Results showed that： 1） the statistical postprocessing approach was effective for systematic error correction; 2） model error sources mainly arose from mode 2 extracted from the SVD analysis-that is, during the transition phase of ENSO, the model encountered the spring predictability barrier; and 3） potential predictability （upper limits of predictability） could be high over most of the tropical Pacific basin, including the tropical western Pacific and an extra 10-degrees region of the mid and eastern Pacific.

Guest Review:Potential theory method for 3D crack and contact problems of multi-field coupled media: A survey

This paper presents an overview of the recent progress of potential theory method in the analysis of mixed boundary value problems mainly stemming from three-dimensional crack or contact problems of multi-field coupled media. This method was used to derive a series of exact three dimensional solutions which should be of great theoretical significance because most of them usually cannot be derived by other methods such as the transform method and the trial-and-error method. Further, many solutions are obtained in terms of elementary functions that enable us to treat more complicated problems easily. It is pointed out here that the method is usually only applicable to media characterizing transverse isotropy, from which, however, the results for the isotropic case can be readily obtained.

SEPARATING COUPLED PHYSIC QUANTITY BYPOTENTIAL OPERATOR

In the present paper, using the method of separating coupled physic quantity bypotential operator, we derive two special minmum principles in coupled thermoelastodynamics.

Transportation of Two Coupled Particles in an Asymmetric Saw-Tooth Potential

Based on a simple model, we theoretically show the transport behaviors of two harmonically coupled Brownian particles in an asymmetric saw-tooth potential with two slopes. The coupled particles are subject to stochastic fluctuations. It is found that when the equilibrium distance of the coupled particles is between the two slopes of the potential, the transport direction of the coupled particles will be reversed with a certain harmonic coupling strength. This current reversal can be easily understood with the near rigid approximation, where the two coupled particles can be regarded as a single particle in an effective potential. Compared with the original saw-tooth potential, the asymmetry of the effective potential could be reversed when the equilibrium distance is between the two slopes of the original potential, which results in the current reversal.

Directed transport of coupled Brownian motors in a two-dimensional traveling-wave potential

Considering an elastically coupled Brownian motors system in a two-dimensional traveling-wave potential, we investigate the effects of the angular frequency of the traveling wave, wavelength, coupling strength, free length of the spring, and the noise intensity on the current of the system. It is found that the traveling wave is the essential condition of the directed transport. The current is dominated by the traveling wave and varies nonmonotonically with both the angular frequency and the wavelength. At an optimal angular frequency or wavelength, the current can be optimized. The coupling strength and the free length of the spring can locally modulate the current, especially at small angular frequencies. Moreover, the current decreases rapidly with the increase of the noise intensity, indicating the interference effect of noise on the directed transport.

Potential Symmetries, One-Dimensional Optimal System and Invariant Solutions of the Coupled Burgers’ Equations

In this paper, we discuss one-dimensional optimal system and the invariant solutions of Coupled Burgers’ equations. By using Wu-differential characteristic set algorithm with the aid of Mathematica software, the classical symmetries of the Coupled Burgers’ equations are calculated, and the one-dimensional optimal system of Lie algebra is constructed. And we obtain the invariant solution of the Coupled Burgers’ equations corresponding to one element in one dimensional optimal system by using the invariant method. The results generalize the exact solutions of the Coupled Burgers’ equations.

ON THE EXISTENCE WITH EXPONENTIAL DECAY AND THE BLOW-UP OF SOLUTIONS FOR COUPLED SYSTEMS OF SEMI-LINEAR CORNER-DEGENERATE PARABOLIC EQUATIONS WITH SINGULAR POTENTIALS

In this article,we study the initial boundary value problem of coupled semi-linear degenerate parabolic equations with a singular potential term on manifolds with corner singularities.Firstly,we introduce the corner type weighted p-Sobolev spaces and the weighted corner type Sobolev inequality,the Poincare′inequality,and the Hardy inequality.Then,by using the potential well method and the inequality mentioned above,we obtain an existence theorem of global solutions with exponential decay and show the blow-up in finite time of solutions for both cases with low initial energy and critical initial energy.Significantly,the relation between the above two phenomena is derived as a sharp condition.Moreover,we show that the global existence also holds for the case of a potential well family.

Spin–orbit-coupled spin-1 Bose–Einstein condensates confined in radially periodic potential

We investigate the ground states of spin-1 Bose–Einstein condensates (BECs) with spin–orbit coupling in a radiallyperiodic potential by numerically solving the coupled Gross–Pitaevskii equations. In the radially periodic potential, wefirst demonstrate that spin–orbit-coupled antiferromagnetic BECs support a multiring petal phase. Polar–core vortex canbe observed from phase profiles, which is manifested as circularly symmetric distribution. We further show that spin–orbitcoupling can induce multiring soliton structure in ferromagnetic BECs. It is confirmed especially that the wave-functionphase of the ring corresponding to uniform distribution satisfies the rotational symmetry, and the wave-function phase ofthe ring corresponding to partial splitting breaks the rotational symmetry. Adjusting the spin–orbit coupling strength cancontrol the number of petal in antiferromagnetic BECs and the winding numbers of wave-function in ferromagnetic BECs.Finally, we discuss effects of spin-independent and spin-dependent interactions on the ground states.

Gap solitons of spin–orbit-coupled Bose–Einstein condensates in PT periodic potential

We numerically investigate the gap solitons in Bose–Einstein condensates(BECs)with spin–orbit coupling(SOC)in the parity–time(PT)-symmetric periodic potential.We find that the depths and periods of the imaginary lattice have an important influence on the shape and stability of these single-peak gap solitons and double-peak gap solitons in the first band gap.The dynamics of these gap solitons are checked by the split-time-step Crank–Nicolson method.It is proved that the depths of the imaginary part of the PT-symmetric periodic potential gradually increase,and the gap solitons become unstable.But the different periods of imaginary part hardly affect the stability of the gap solitons in the corresponding parameter interval.

A Global ab initio Potential Energy Surface for F+H_(2)→HF+H

A global three dimensional potential energy surface for the F＋H2→HF＋H reaction has been developed by spline interpolation of about 15,000 symmetry-unique ab initio points, obtained from the multi-reference configuration interaction level with Davidson correction using the aug-cc-pV5Z basis set. In the entrance channel the spin-orbit coupling energy is also included.

Control of facies/potential on hydrocarbon accumulation:a geological model for lacustrine rift basins

The formation and distribution of hydrocarbon accumulations are jointly controlled by ＂stratigraphic facies＂ and ＂fluid potential＂, which can be abbreviated in ＂control of facies/potential on hydrocarbon accumulation＂. Facies and potential control the time-space distribution of hydrocarbon accumulation macroscopically and the petroliferous characteristics of hydrocarbon accumulation microscopically. Tectonic facies and sedimentary facies control the time-space distribution. Lithofacies and petrophysical facies control the petroliferous characteristics. Favorable facies and high porosity and permeability control hydrocarbon accumulation in the lacustrine rift basins in China. Fluid potential is represented by the work required, which comprises the work against gravity, pressure, interfacial energy and kinetic energy. Hydrocarbon migration and accumulation are controlled by the joint action of multiple driving forces, and are characterized by accumulation in the area of low potential. At the structural high, low geopotential energy caused by buoyancy control anticlinal reservoir. The formation oflithological oil pool is controlled by low interfacial energy caused by capillary force. Low compressive energy caused by overpressure and faulting activity control the formation of the faulted- block reservoir. Low geopotential energy of the basin margin caused by buoyancy control stratigraphic reservoir. The statistics of a large number of oil reservoirs show that favorable facies and low potential control hydrocarbon accumulation in the rift basin, where over 85% of the discovered hydrocarbon accumulations are distributed in the trap with favorable facies and low potentials. The case study showed that the prediction of favorable areas by application of the near source-favorable facies-low potential accumulation model correlated well with over 90% of the discovered oil pools＇ distribution of the middle section of the third member of the Shahejie Formation in the Dongying Depression, Bohai Bay Basin.

Some recent advances in 3D crack and contact analysis of elastic solids with transverse isotropy and multifield coupling

Significant progress has been made in mixed boundary-value problems associated with three-dimensional（3D） crack and contact analyses of advanced materials featuring more complexities compared to the conventional isotropic elastic materials.These include material anisotropy and multifield coupling,two typical characteristics of most current multifunctional materials.In this paper we try to present a state-of-the-art description of 3D exact/analytical solutions derived for crack and contact problems of elastic solids with both transverse isotropy and multifield coupling in the latest decade by the potential theory method in the spirit of V.I.Fabrikant.whose ingenious breakthrough brings new vigor and vitality to the old research subject of classical potential theory.We are particularly interested in crack and contact problems with certain nonlinear features.Emphasis is also placed on the coupling between the temperature field（or the like） and other physical fields（e.g.,elastic,electric,and magnetic fields）.We further highlight the practical significance of 3D contact solutions,in particular in applications related to modern scanning probe microscopes.