Energy level splitting of a 2D hydrogen atom with Rashba coupling in non-commutative space

We explore the non-commutative (NC) effects on the energy spectrum of a two-dimensional hydrogen atom. We consider a confined particle in a central potential and study the modified energy states of the hydrogen atom in both coordinates and momenta of non-commutativity spaces. By considering the Rashba interaction, we observe that the degeneracy of states can also be removed due to the spin of the particle in the presence of NC space. We obtain the upper bounds for both coordinates and momenta versions of NC parameters by the splitting of the energy levels in the hydrogen atom with Rashba coupling. Finally, we find a connection between the NC parameters and Lorentz violation parameters with the Rashba interaction.     

New interaction solutions and nonlocal symmetry of an equation combining the modified Calogero–Bogoyavlenskii–Schiff equation with its negative-order form

The nonlocal symmetry is derived for an equation combining the modified Calogero–Bogoyavlenskii–Schiff equation with its negative-order form from the truncated Painlevéexpansion method. The nonlocal symmetries are localized to the Lie point symmetry by introducing new auxiliary dependent variables. The finite symmetry transformation and the Lie point symmetry for the prolonged system are solved directly. Many new interaction solutions among soliton and other types of interaction solutions for the modified Calogero–Bogoyavlenskii–Schiff equation with its negative-order form can be obtained from the consistent condition of the consistent tanh expansion method by selecting the proper arbitrary constants.     

纳米孔壁面作用对蛋白质过孔影响的粗粒化分子动力学模拟

基于粗粒化分子动力学方法模拟电驱动蛋白质过孔过程，研究纳米孔-水/纳米孔-蛋白质相互作用对电泳迁移率的影响；用操控式分子动力学模拟分析蛋白质在不同相互作用下过孔摩擦系数和摩擦阻力.研究发现：蛋白质黏附纳米孔壁面对其过孔特性影响并不明显，而纳米孔-水相互作用对蛋白质过孔电泳迁移率和摩擦系数影响较大.随纳米孔-水相互作用增强，纳米孔壁面与蛋白质附近水分子运动差异显现，蛋白质过孔摩擦阻力显著增大，过孔摩擦系数随之增大，进而影响蛋白质过孔电泳迁移率.所得结果可为纳米孔材料设计提供理论指导.     

Structural and Thermodynamic Peculiarities of Core-Shell Particles at Fluid Interfaces from Triangular Lattice Models

A triangular lattice model for pattern formation by core-shell particles at fluid interfaces is introduced and studied for the particle to core diameter ratio equal to 3. Repulsion for overlapping shells and attraction at larger distances due to capillary forces are assumed. Ground states and thermodynamic properties are determined analytically and by Monte Carlo simulations for soft outer- and stiffer inner shells, with different decay rates of the interparticle repulsion. We find that thermodynamic properties are qualitatively the same for slow and for fast decay of the repulsive potential, but the ordered phases are stable for temperature ranges, depending strongly on the shape of the repulsive potential. More importantly, there are two types of patterns formed for fixed chemical potential—one for a slow and another one for a fast decay of the repulsion at small distances. In the first case, two different patterns—for example clusters or stripes—occur with the same probability for some range of the chemical potential. For a fixed concentration, an interface is formed between two ordered phases with the closest concentration, and the surface tension takes the same value for all stable interfaces. In the case of degeneracy, a stable interface cannot be formed for one out of four combinations of the coexisting phases, because of a larger surface tension. Our results show that by tuning the architecture of a thick polymeric shell, many different patterns can be obtained for a sufficiently low temperature.     

Influence of spin–orbit interaction,Zeeman effect and light polarisation on the electronic and optical properties of pseudo-elliptic quantum rings under magnetic field

ABSTRACT

We theoretically investigated the influences of the magnetic field and light polarisation on the electronic and optical properties of a GaAs/GaAlAs pseudo-elliptic quantum ring, modelled by an outer ellipsis and an inner circle, in the presence of the Rashba and Dresselhaus spin–orbit interactions and Zeeman effect. We show that Aharonov-Bohm oscillations of the energy spectrum are not affected by the presence of the Zeeman effect alone but, in the presence of Rashba and Dresselhaus spin–orbit couplings, the periodicity of certain levels becomes hardly definite. The Zeeman effect generally enhances/diminishes the separation levels produced by Rashba/Dresselhaus interactions (SOI) and when both types of SOI are considered, the effect depends on their relative strength. The magnetic field can trigger spin-flip for each type of spin–orbit interaction and Zeeman effect or their combination through anticrossings in the energy spectra. Our results reveal that the absorption spectra are very sensitive to the magnetic field and light polarisation. For all polarisations considered, the magnetic field increment leads to the redshift or blueshift of some particular peaks (an effect of this ring geometry) and a better separation of the peaks. The x-polarised light determines spectra with many small, but separated peaks while the circular polarised light leads to spectra with large peaks of high amplitude.     

驻波声场中单分散细颗粒的相互作用特性

利用外加声场促进悬浮在气相中的细颗粒发生相互作用,进而引起颗粒的碰撞和凝并,使得颗粒平均粒径增大、数目浓度降低,是控制细颗粒排放的重要技术途径.为探究驻波声场中单分散细颗粒的相互作用,建立包含曳力、重力、声尾流效应的颗粒相互作用模型,采用四阶经典龙格-库塔算法和二阶隐式亚当斯插值算法对模型进行求解.将数值模拟得到的颗粒声波夹带速度和相互作用过程与相应的解析解和实验结果进行对比,验证模型的准确性.进而研究颗粒初始条件和直径对相互作用特性的影响.结果表明,初始时刻颗粒中心连线越接近声波波动方向、颗粒位置越接近波腹点,颗粒间的声尾流效应就越强,颗粒发生碰撞所需要的时间就越短.研究还发现,颗粒直径对颗粒相互作用的影响取决于初始时刻颗粒中心连线偏离声波波动方向的程度.当偏离较小时,颗粒直径越大,颗粒发生碰撞所需要的时间越短;当偏离很大时,直径较小的颗粒能够发生碰撞,而直径较大的颗粒则无法发生碰撞.     

Simulation study on cooperation behaviors and crowd dynamics in pedestrian evacuation

Pedestrian evacuation is actually a process of behavioral evolution. Interaction behaviors between pedestrians affect not only the evolution of their cooperation strategy, but also their evacuation paths-scheduling and dynamics features. The existence of interaction behaviors and cooperation evolution is therefore critical for pedestrian evacuation. To address this issue, an extended cellular automaton(CA) evacuation model considering the effects of interaction behaviors and cooperation evolution is proposed here. The influence mechanism of the environment factor and interaction behaviors between neighbors on the decision-making of one pedestrian to path scheduling is focused. Average payoffs interacting with neighbors are used to represent the competitive ability of one pedestrian, aiming to solve the conflicts when more than one pedestrian competes for the same position based on a new method. Influences of interaction behaviors, the panic degree and the conflict cost on the evacuation dynamics and cooperation evolution of pedestrians are discussed. Simulation results of the room evacuation show that the interaction behaviors between pedestrians to a certain extent are beneficial to the evacuation efficiency and the formation of cooperation behaviors as well. The increase of conflict cost prolongs the evacuation time. Panic emotions of pedestrians are bad for cooperation behaviors of the crowd and have complex effects on evacuation time. A new self-organization effect is also presented.     

Tire and soil effects on power loss: Measurement and comparison with finite element model results

In the present study, the effect of vertical load, tire inflation pressure and soil moisture content on power loss in tire under controlled soil bin conditions were investigated. Also a finite element model of tire-soil interaction in order to achieve a suitable model for predicting power loss in tire was created. Increasing the vertical load on the tire had a noteworthy impact on increasing the tire contact volume with the soil, reducing the percentage of slip, and increasing the rolling resistance; although, reducing the load on the tire had the opposite effect. At a constant inflation pressure, by increasing the vertical load on the tire, the amount of power loss due to the rolling resistance and the total power loss in the tire increased. Increase in soil moisture content increased the power loss caused by slip. Increasing the inflation pressure at a constant vertical load, also increasing the soil moisture content, led to an increase in the power loss caused by rolling resistance, and increase total power loss. The obtained error for estimating power loss of rolling resistance and total power loss was satisfactory and confirmed the acceptability of the model for power loss estimation.     

Divergent and Chemoselective Transformations of Thioamides with Designed Carbene Equivalents

The reactions of thioamides with ortho-nitro-substituted iodonium ylides proceeded under mild conditions to give enaminones or thiazoles, depending on the iodonium ylide used. This protocol allowed the use of protic solvents, including aqueous solutions, and therefore coupling reactions with complex molecules such as peptides or steroids were possible. A mild and efficient method for the synthesis of various iodonium ylides was established. DFT calculations suggested that the halogen bonding between a thioamide and iodonium ylide was important in this chemoselective coupling reaction. The potential use of enaminones conjugated with pharmaceuticals as prodrugs was also demonstrated.