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.

Coupling potential and viscous flow models with domain decomposition for wave propagations

Either potential flow or viscous flow based model may be flawed for numerical wave simulations.The two-way coupling of potential and viscous flow models with the domain decomposition utilizing respective strengths has been a trending research topic.In contrast to existing literatures in which closed source potential models were used,the widely used open source OceanWave3D,OpenFOAM-v2012 are used in the present research.An innovative overlapping two-way coupling strategy is developed utilizing the ghost points in OceanWave3D.To guarantee computational stability,a relaxation zone used both for outlet damping and data transfer is built over the overlapping region in OceanWave3D.The free surface elevation in the relaxation zone is directly probed in OpenFOAM while the velocity potential is indirectly built upon its temporal variation which is calculated by the free surface boundary condition using the probed velocity.Strong coupling is achieved based on the fourth-order Runge-Kutta(RK)algorithm.Both two-and three-dimensional tests including linear,nonlinear,irregular,and multi-directional irregular waves,are conducted.The effectiveness of the coupling procedure in bidirectional data transfer is fully demonstrated,and the model is validated to be accurate and efficient,thus providing a competitive alternative for ocean wave simulations.

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.

Ab initio MRCI+Q study on potential energy curves and spectroscopic parameters of low-lying electronic states of CS^+

Carbon monosulfide molecular ion （CS＋）, which plays an important role in various research fields, has long been attracting much interest. Because of the unstable and transient nature of CS＋, its electronic states have not been well investigated. In this paper, the electronic states of CS＋ are studied by employing the internally contracted multireference configuration interaction method, and taking into account relativistic effects （scalar plus spin–orbit coupling）. The spin–orbit coupling effects are considered via the state-interacting method with the full Breit–Pauli Hamiltonian. The potential energy curves of 18 Λ–S states correlated with the two lowest dissociation limits of CS＋ molecular ion are calculated, and those of 10 lowest Ω states generated from the 6 lowest Λ–S states are also worked out. The spectroscopic constants of the bound states are evaluated, and they are in good agreement with available experimental results and theoretical values. With the aid of analysis of Λ–S composition of Ω states at different bond lengths, the avoided crossing phenomena in the electronic states of CS＋ are illuminated. Finally, the single ionization spectra of CS （X1Σ＋） populating the CS＋（X2Σ1/2＋, A2Π3/2, A2Π1/2, and B2Σ1/2＋） states are simulated. The vertical ionization potentials for X2Σ1/2＋, A2Π3/2, A2Π1/2, and B2Σ1/2＋ states are calculated to be 11.257, 12.787, 12.827, and 15.860 eV, respectively, which are accurate compared with previous experimental results, within an error margin of 0.08 eV^0.2 eV.

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.

MRCI+Q study of the low-lying electronic states of CdF including spin-orbit coupling

Cd F molecule, which plays an important role in a great variety of research fields, has long been subject to numerous researchers. Due to the unstable nature and heavy atom Cd containing in the Cd F molecule, electronic states of the molecule have not been well studied. In this paper, high accurate ab initio calculations on the Cd F molecule have been performed at the multi-reference configuration interaction level including Davidson correction（MRCI ＋ Q）. Adiabatic potential energy curves（PECs） of the 14 low-lying Λ–S states correlating with the two lowest dissociation limits Cd（~1S_g） ＋ F（~2P_u） and Cd（~3P_u） ＋ F（~2P_u） have been constructed. For the bound Λ–S and ？ states, the dominant electronic configurations and spectroscopic constants are obtained,and the calculated spectroscopic constants of bound states are consistent with previous experimental results. The dipole moments（DMs） of 2 Σ＋ and 2Π are determined, and the spin–orbit（SO） matrix elements between each pair of X2Σ＋, 22Σ＋, 12Π, and 22Π are obtained. The results indicate that the sudden changes of DMs and SO matrix elements arise from the variation of the electronic configurations around the avoided crossing region. Moreover,the Franck–Condon factors（FCFs）, the transition dipole moments（TDMs）, and radiative lifetimes of low-lying states-the ground state X2Σ＋are determined. Finally, the transitional properties of 22Π–X2Σ＋and 22Σ＋–X2Σ＋are studied. Based on our computed spectroscopic information of Cd F, the feasibility and challenge for laser cooling of Cd F molecule are discussed.

MD simulation of a copper rod under thermal shock

In this paper, thermoelastic problem of onedimensional copper rod under thermal shock is simulated using molecular dynamics method by adopting embedded atom method potential. The rod is on axis x, the left outermost surface of which is traction free and the right outermost surface is fixed. Free boundary condition is imposed on the outermost surfaces in direction y and z. The left and right ends of the rod are subjected to hot and cold baths, respectively. Temperature, displacement and stress distributions are obtained along the rod at different moments, which are shown to be limited in the mobile region, indicating that the heat propagation speed is limited rather than infinite. This is consistent with the prediction given by generalized thermoelastic theory. From simulation results we find that the speed of heat conduction is the same as the speed of thermal stress wave. In the present paper, the simulations are conducted using the large-scale atomic/molecular massively parallel simulator and completed visualization software.

An Ab initio Theoretical Study on the Nonadiabatic Coupling for Na+I_2 Collision System

The ionic and neutral state potential energy surfaces (PESs) of Na+I 2 collision system have been calculated on QCISD(T) level by using ab initio method. The location and depth of the potential well, the collision radius and their fine structures have been analyzed at the equilibrium geometry of I 2 molecule. The electronic transfer probabilities are also calculated in terms of Landau Zener model. The lifetime of scattering resonance state is evaluated by the uncertainty principle. All the results have been compared with those obtained according to the Aten Lanting Los PES and Feng's PES.

Corrosion Behaviour of Carbon Steel Fasteners in Neutral Chloride Solution

An experimental model for simulating the corrosion of carbon steel fasteners(bolt and nut) composed of a contact carbon steel electrode(CCSE) and an exposed bare carbon steel plate electrode(BCSE) was designed. The effect of coupling on the corrosion process of the galvanically coupled carbon steel electrode was evaluated and compared with the self-corrosion process observed independently at the exposed and contact regions. Results obtained indicated that at an equal area ratio and uncoupled conditions, the corrosion rate is accelerated in the surface directly exposed to bulk solution compared to the bolt surface in contact with the nut. A coupling current was recorded when the exposed surface(BCSE) was electrically connected with the contact surface(CCSE);with the CCSE acting as the anode thereby suppressing the corrosion process in the exposed surface. By implication, the galvanic coupling between CCSE and BCSE increased the corrosion rate of CCSE. The diff erence in oxygen supply was responsible for the coupling effect observed in the system as there was no decrease in the solution pH. Moreover, varying the cathode-to-anode area( S c/S a) ratio significantly influenced the corrosion current density as increased S c/S a ratio resulted in an accelerated galvanic corrosion process. The corroded surfaces and interfaces were analysed using stereomicroscopy and scanning electron microscopy. X-ray diff ractometry was adopted for corrosion product characterization. The results obtained showed supportive evidence of the corrosion behaviour in carbon steel fasteners.