Structure of a liquid-vapor interface

The structure of the interface of an argonlike fluid in equilibrium with its own vapor at low temperature is studied using molecular dynamics. The longitudinal pair correlations in the interface are found to be consistent with a simply defined ensemble of local thermodynamic states. However, the transverse correlations exhibit very long-range behavior not predicted by straightforward local thermodynamics. These results strongly suggest that the interface is made up of an ensemble of configurations in each of which the transition from liquid to vapor is locally sharp, but that the transition surface fluctuates strongly in space and time.Supported in part by ERDA, Contract No. EY-76-C-02-3077, and by NSF, Grant DMR-72-03029, through Materials Science Center, Cornell University.The classical theoretical density profile dates back to van der Waals. (1)     

How thick is a liquid-vapor interface?

The structure of the interface of an argonlike fluid in equilibrium with its vapor near the triple point is studied using Monte Carlo simulation. By referring particle coordinates to the capillary waves and calculating the transverse structure factor in that reference frame, one can determine the penetration depth of the capillary waves into the bulk as a function of the wave vector. The penetration depth of the lowest capillary mode is consistent with the interfacial thickness as determined from the intrinsic density profile, and the data for the higher modes suggest that the penetration depth might be independent ofk.     

Second-order Percus-Yevick theory for a confined hard-sphere fluid

A fluid of hard spheres confined between two hard walls and in equilibrium with a bulk hard-sphere fluid is studied using a second-order Percus-Yevick approximation. We refer to this approximation as second-order because the correlations that are calculated depend upon the position of two hard spheres in the confined fluid. However, because the correlation functions depend upon the positions of four particles (two hard spheres and two walls treated as giant hard spheres), this is the most demanding application of the second-order theory that has been attempted. When the two walls are far apart, this calculation reduces to our earlier second-order approximation calculations of the properties of hard spheres near a single hard wall. Our earlier calculations showed this approach to be accurate for the single-wall case. In this work we calculate the density profiles and the pressure of the hard-sphere fluid on the walls. We find, by comparison with grand canonical Monte Carlo results, that the second-order approximation is very accurate, even when the two walls have a small separation. We compare with a singlet approximation (in the sense that correlation functions that depend on the position of only one hard sphere are considered). The singlet approach is fairly satisfactory when the two walls are far apart but becomes unsatisfactory when the two walls have a small separation. We also examine a simple theory of the pressure of the confined hard spheres, based on the usual Percus-Yevick theory of hard-sphere mixtures. Given the simplicity of the latter approach the results of this simple (and explicit) theory are surprisingly good.     

方阱链流体在固液界面分布的密度泛函理论研究

应用Yethiraj的加权密度近似泛函理论研究平板狭缝中方阱链流体的密度分布，系统的Helm holtz自由能泛函分为理想气体的贡献利剩余贡献两部分，其中剩余贡献部分分别采用刘洪 来等人建立的基于空穴相关函数的方阱链流体状态方程和Gil-Villegas等人提出的统计缔合 流体理论状态方程(SAFT-VR)结合简单加权密度近似计算.考察了不同链长、温度、系统密度 和壁面吸引强度下平板狭缝中方阱链流体的密度分布，并与Monte Carlo(MC)模拟结果进行 了比较.结果表明采用不同的状态方程对密度分布的计算有明显的影响，对于受限于硬壁狭 缝中的方阱链流体，温度和密度比较高时，两种状态方程计算的结果均与MC模拟符合得比较 好，在低温和低密度下效果变差，SAFT-VR方程的计算结果更接近于MC模拟结果.对于受限于 方阱壁狭缝中的方阱链流体，由于系统密度分布的非均匀性加强，采用两种状态方程计算的 结果均与MC模拟结果有一定偏差，寻找更合适的权重函数是进一步改进的关键. 关键词： 密度泛函理论 非均匀流体 密度分布 固液界面 方阱链     

The surface shear viscosity of a planar liquid-vapor interface I. Theory

In this paper we develop a theory for the calculation of the surface shear viscosity of a planar liquid-vapor interface. The theory is an extension of the generalized hydrodynamics formalism, originally developed for the calculation of linear transport coefficients in isotropic bulk fluids. We develop an expression for the surface shear viscosity in terms of the actual shear viscosity profile in the interfacial region. We derive an expression for this profile in terms of the first four moments of the autocorrelation function of the transverse parallel velocity (the component of velocity parallel to k, which is the projection of k on to the interface). Finally, we calculate these moments for a planar liquid-vapor interface.     

Collective diffusion of Brownian particles with square well and hydrodynamic interaction

The low wavenumber collective diffusion coefficient of a semi-dilute suspension of spherical Brownian particles interacting via square well potential and hydrodynamic pair interaction is considered. The first two nonvanishing terms of an expansion in powers of the wavenumber are calculated. Analytical expressions are found for extremely narrow wells and in the limit of large well diameters.     

Effects of confined longitudinal and interface optical phonons on excitons in an asymmetric quantum well

The interaction between exciton and confined longitudinal optical (LO) phonons, interface optical (IO) phonons in an asymmetric Ga 1 x Al x As/GaAs/Ga 0.7 Al 0.3 As square quantum well is investigated. By applying the LLP-like transformation and variational approach, the numerical results are obtained as functions of the well width and asymmetric-degree of well. The exciton-optical phonons interaction-energy has a minimum value with the increase of the well width. It is demonstrated that the LO-phonon energ...     

Monte Carlo simulation of a confined hard ellipse fluid

The structural and thermodynamic properties of a confined hard ellipse fluid are studied using Monte Carlo simulation. The angular, average number densities and order parameters of hard ellipses confined between hard parallel walls are obtained for various bulk densities, aspect ratios and wall separations. The results show that the effect of the existence of the wall on the molecular fluid structure, either on their directions or their locations, with respect to the bulk, especially close to the walls, is significant. For this system the pressure is also obtained and it is shown that the average density at the wall is proportional to the pressure, βP=〈ρ_w〉. Our simulation results show that the order parameters depend on the number of the particles in the box unless it exceeds thousand.     

二维无限深方势阱中粒子运动的路径积分解法

用路径积分的方法计算了二维无限深方势阱中粒子的传播子,并由传播函数推导出二维无限深方势阱中粒子的波函数和能量,进一步体现了路径积分与其他经典量子化方法的等价性,反映了路径积分应用于难以处理的量子力学问题的价值.     

Polarons in a cylindrical quantum well wire with finite confining potential

The polaron self-energy and the correction to the electron effective mass in a cylindrical quantum well wire (QWW) are studied by the perturbation approach. The interactions of electrons with different phonon modes in the QWW system, including the confined longitudinal optical phonon modes, in the wire (LO1), in the barrier materials (LO2) and in the interface optical (IO) phonon modes, are considered. The result shows that the LO1 phonon’s contribution to the polaron self-energy increases gradually as the radius of the wire increases, and finally reaches that of the three-dimensional limit, while the LO2 phonon contributes only when the radius of the wire is very small. Also, the contribution of the IO phonon modes first increases quickly as the wire radius increases and soon reaches a maximum, then reduces to zero monotonically.     

Electrohydrodynamic flow analysis in a circular cylindrical conduit using Least Square Method

In this article, Electrohydrodynamic flow (EHD flow) in a circular cylindrical conduit is studied by a semi-exact and high efficient weighted residual method called Least Square Method (LSM). A principle of LSM is briefly introduced and later is employed to solve the described problem. Furthermore, the effects of the Hartmann electric number (Ha) and the strength of nonlinearity (α) on velocity profiles are discussed and presented graphically. Results are compared with numerical solution and obtained residuals are compared with those of HAM which previously were done by Mastroberardino in Ref. [3]. Outcomes reveal that LSM has an excellent agreement with numerical solution; also depicted residual functions showed that LSM is more acceptable than HAM especially for large values of Ha and α numbers, also it is simpler and needs fewer computations.     

Soliton dynamical properties of Boseben Einstein condensates trapped in a double square well potential

We first present an analytical solution of the single and double solitions of Bose-Einstein condensates trapped in a double square well potential using the multiple-scale method. Then, we show by numerical calculation that a dark soliton can be transmitted through the square well potential. With increasing depth of the square well potential, the amplitude of the dark soliton becomes larger, and the soliton propagates faster. In particular, we treat the collision behaviour of the condensates trapped in either equal or different depths of the double square well potential. If we regard the double square well potential as the output source of the solitons, the collision locations (position and time) between two dark solitons can be controlled by its depth.     

一维无限深势阱中粒子运动的路径积分解法

用路径积分的分析方法求得了一维无限深势阱中粒子的传播函数,并由传播函数导出了粒子的波函数和能量,展示了路径积分与传统方法的等价性,同时还介绍了一种有用的数学函数——雅可比θ_3函数．     

External electric field and hydrostatic pressure effects on the binding energy and self-polarization of an off-center hydrogenic impurity confined in a GaAs/AlGaAs square quantum well wire

Based on the effective-mass approximation within a variational scheme, binding energy and self-polarization of hydrogenic impurity confined in a finite confining potential square quantum well wire, under the action of external electric field and hydrostatic pressure, are investigated. The binding energy and self-polarization are computed as functions of the well width, impurity position, electric field, and hydrostatic pressure. Our results show that the external electric field and hydrostatic pressure as well as the well width and impurity position have a great influence on the binding energy and self-polarization.     

Quantum computing with particle in a driven square well

We show that a particle confined in a one-dimensional square well in the presence of an external periodic linear modulation undergoes coherent oscillations between the discrete levels analogous to an atom exposed to an electromagnetic field. We define the selection rules for state transitions based on the matrix elements of the perturbation potential. These selection rules contribute to the time evolution of the qubit which can partake efficiently in quantum informatics. Quantum logic gates are realized in the square-well potential by controlling the period of modulation.     

One phonon-assisted electron Raman scattering in a wurtzite cylindrical quantum well wire

We report the electron resonant Raman scattering (ERRS) process related to the longitudinal optical (LO), interface optical (IO) and quasi-confined (QC) phonons in a cylindrical GaN-AlN quantum well wire (QWW). We present the differential cross-section (DCS) and study the selection rules. Results reveal that the emitted photon frequency decreases with increasing the radius because of the size-selective Raman scattering effect and the built-in electric field. The contribution to the DCS mainly stems from the GaN-type LO (LO1), QC and IO phonons when the wire is thin, but the LO1 and QC phonons are dominant for the thick wire.     

Photoluminescence studies of confined states in AlGaAs/GaAs asymmetric quantum well

In the recombination spectra of AlGaAs/GaAs heterostructures, a peculiar and asymmetric photoluminescence (PL) band F has previously been reported [Aloulou et al., Mater. Sci. Eng. B 96 (2002) 14] to be due to recombinations of confined electrons from the two-dimensional electron gas (2DEG) formed at AlGaAs/GaAs interface in asymmetric quantum well (AQW). Detailed experiments are reported here on GaAs/Al_0.31Ga_0.69As/GaAs:δSi/Al_0.31Ga_0.69As/GaAs samples with different spacer layer thicknesses. We show that the band F is the superposition of two PL bands F′ and F″ associated, respectively, to AQW and a symmetric quantum well (SQW). In the low excitation regime, the F′ band present a blue shift (4.4 meV) followed by important red shift (16.5 meV) when increasing optical excitation intensity. The blue shift in energy is interpreted in terms of optical control of the 2DEG density in the AQW while the red shift is due to the narrowing of the band gaps caused by the local heating of the sample and band bending modification for relatively high-optical excitation intensity. Calculation performed using self-consistent resolution of the coupled Schrödinger–Poisson equations are included to support the interpretation of the experimental data.     

Analysis of a charged unidirectional perfect fluid gravitational collapse in cylindrical spacetime

The gravitational collapse of charged imperfect fluids (including the presence of strings) models the structural evolution of the Universe. The dynamics of a charged cylindrically symmetric spacetime investigates the effects of charge on the rate of gravitational collapse. In this respect, the Einstein–Maxwell equations are formed and solved to obtain the values of the dynamical parameters of the fluid including density, pressure and electric field. These parameters are graphically presented. It was concluded that the string tension effects all the physical parameters of the fluid. Moreover, the density and electric field intensity increases while the fluid’s pressure decreases near the time of singularity formation.     

非对称方势阱中的激子及其与声子的相互作用

采用类LLP(Lee-Low-Pines)变换和分数维变分法,在讨论有限深非对称方势阱Ga_1－xAl_xAs/ GaAs/Ga_0.7Al_0.3As的分数维基础上,计算了其中激子的基态能量以及声子对其影响,随着势阱宽度增加,激子能量先减小后增大,出现一个最小值.讨论了一侧势垒高度变化对分数维、激子基态能量的影响,并发现声子作用使得激子能量明显增大.另外,非对称方势阱中的激子结合能随阱宽的减小而增