Kinetic Density Functional Theory：A Microscopic Approach to Fluid Mechanics

In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme confinement, such as nanopores, nanodevices, etc. The approach obtained by combining kinetic and density functional methods is microscopic, fully self-consistent and allows to determine both configurational and flow properties of dense fluids. The theory predicts the correct hydrodynamic behavior and provides a practical and numerical tool to determine how the transport properties are modified when the length scales of the confining channels are comparable with the size of the molecules. The applications range from the dynamics of simple fluids under confinement, to that of neutral binary mixtures and electrolytes where the theory in the limit of slow gradients reproduces the known phenomenological equations such as the Planck-Nernst-Poisson and the Smolochowski equations. The approach here illustrated allows for fast numerical solution of the evolution equations for the one-particle phase-space distributions by means of the weighted density lattice Boltzmann method and is particularly useful when one considers flows in complex geometries.     

Two-pulse nuclear echo signal in magnetically ordered media

An analytical expression is obtained for the amplitude of a nuclear echo signal generated in magnetically concentrated materials upon resonant excitation of the nuclear subsystem by two pulses with an equal amplitude. It is revealed that, when both the inhomogeneous broadening of the spectroscopic transition and the inhomogeneous gain distribution are taken into account in the theory simultaneously, the spin echo signal can consist of eight satellites symmetrically located around the central peak. The analytical expressions obtained are used to determine relations between the relative amplitudes and the instants of generation of satellites, on the one hand, and microscopic parameters, such as the inhomogeneous half-width of the spectral line, the halfwidth of the gain distribution function, and the average gain, on the other hand. The results of theoretical calculations and the experimental data obtained for the FeV (2 at % V) alloy are in good agreement.     

Generalized quantum hydrodynamics of a trapped dilute Bose gas

Quantal kinetic equations for particle and current densities of condensate and non-condensate in a confined Bose-condensed fluid are set up by expansion of the one-body density matrix about its diagonal. A microscopic Landau equation for superfluid flow in the inhomogeneous system is derived. Current-density functional theory in the local (long-wavelength) approximation is then used to propose a unified treatment of various damping mechanisms.     

Time-dependent flow in arrested states – transient behaviour

The transient behaviour of highly concentrated colloidal liquids and dynamically arrested states (glasses) under time-dependent shear is reviewed. This includes both theoretical and experimental studies and comprises the macroscopic rheological behaviour as well as changes in the structure and dynamics on a microscopic individual-particle level. The microscopic and macroscopic levels of the systems are linked by a comprehensive theoretical framework which is exploited to quantitatively describe these systems while they are subjected to an arbitrary flow history. Within this framework, theoretical predictions are compared to experimental data, which were gathered by rheology and confocal microscopy experiments, and display consistent results. Particular emphasis is given to (i) switch-on of shear flow during which the system can liquify, (ii) switch-off of shear flow which might still leave residual stresses in the system, and (iii) large amplitude oscillatory shearing. The competition between timescales and the dependence on flow history leads to novel features in both the rheological response and the microscopic structure and dynamics.     

On the calculation of the magnetic structure of surfaces,near-surface layers,and interfaces of 3d metals

Physics of the Solid State - A microscopic approach to the calculation of the distribution of magnetic moments in the vicinity of surfaces, interfaces, and other spatially inhomogeneous 3d metal...     

Fractional generalization of Fick's law: a microscopic approach

In the study of transport in inhomogeneous systems it is common to construct transport equations invoking the inhomogeneous Fick law. The validity of this approach requires that at least two ingredients be present in the system. First, finite characteristic length and time scales associated with the dominant transport process must exist. Second, the transport mechanism must satisfy a microscopic symmetry: global reversibility. Global reversibility is often satisfied in nature. However, many complex systems exhibit a lack of finite characteristic scales. In this Letter we show how to construct a generalization of the inhomogeneous Fick law that does not require the existence of characteristic scales while still satisfying global reversibility.     

A feasibility study of the use of bounded beams resembling the shape of evanescent and inhomogeneous waves

Plane waves are solutions of the visco-elastic wave equation. Their wave vector can be real for homogeneous plane waves or complex for inhomogeneous and evanescent plane waves. Although interesting from a theoretical point of view, complex wave vectors normally only emerge naturally when propagation or scattering is studied of sound under the appearance of damping effects. Because of the particular behavior of inhomogeneous and evanescent waves and their estimated efficiency for surface wave generation, bounded beams, experimentally mimicking their infinite counterparts similar to (wide) Gaussian beams imitating infinite harmonic plane waves, are of special interest in this report. The study describes the behavior of bounded inhomogeneous and bounded evanescent waves in terms of amplitude and phase distribution as well as energy flow direction. The outcome is of importance to the applicability of bounded inhomogeneous ultrasonic waves for nondestructive testing.     

On the new dynamical boundary conditions for spin wave resonance in multilayer ferromagnetic films

A new microscopic approach to spin wave resonance in multilayer ferromagnetic films is proposed. An exact procedure of solving the eigenvalue problem corresponding to inhomogeneous films by its formal reduction to the problem of effective homogeneous thin films with the well-defined dynamical boundary conditions is introduced.     

Multiscale analysis of a spatially heterogeneous microscopic traffic model

The microscopic Optimal Velocity (OV) model is posed on an inhomogeneous ring-road, consisting of two spatial regimes which differ by a scaled OV function. Parameters are chosen throughout for which all uniform flows are linearly stable. The large time behaviour of this discrete system is stationary and exhibits three types of macroscopic traffic pattern, each consisting of plateaus joined together by sharp interfaces. At a coarse level, these patterns are determined by simple flow and density balances, which in some cases have non-unique solutions. The theory of characteristics for the classical Lighthill-Whitham PDE model is then applied to explain which pattern the OV model selects. A global analysis of a second-order PDE model is then performed in an attempt to explain some qualitative details of interface structure. Finally, the full microscopic model is analysed at the linear level to explain features which cannot be described by the present macroscopic approaches.     

Generalized potentiality of inhomogeneous media flows

A method for specifying a class of potential flows of inhomogeneous continuous media is developed. The general approach is based on expanding a medium material symmetry group to a special volume-preserving group, allowing us to obtain a law for the conservation of vorticity and, when there is no vorticity, to derive the unsteady Bernoulli equation. As illustrations, plane steady stationary flows of an inhomogeneous incompressible fluid and variable-entropy gas are considered. The problem of an inhomogeneous gas flow around a wedge yielding the formation of a shock wave is solved.     

Simulation of the propagation of a light pulse in a randomly inhomogeneous medium

The propagation of a Gaussian pulse in an inhomogeneous medium is considered. The detected pulse is represented as a series in the scattering multiplicities. The developed approach enables one to describe the passage of a pulse through a randomly inhomogeneous medium in the general case, beyond the framework of the diffusion approximation. The known results of the diffusion approximation are shown to represent limiting cases of the expansion constructed in the scattering multiplicities. The calculations are performed by the Monte Carlo method for cases of singly and multiply scattering media. The agreement between the results of the theoretical analysis and the numerical simulation allows one to use the approach developed in both optical problems and investigation of propagation of waves of other nature, in particular, seismic waves.     

A Guide for Hydrodynamic Reinforcement Effect in Nanoparticle-filled Polymers

Despite of substantial progresses in reinforcement mechanism of nanoparticle-filled polymers (NPFPs), there are great debates about the fundamental hydrodynamics theories and the deformation localization lasting many years. In this article, we discuss the in retrospect theoretical hydrodynamic approaches used in the field of nanoparticle reinforcement for providing a critical review with the aim to identify limitations and open questions inherent to various versions of the theory. Such a discussion could serve as a guide for the formulation and modification of a model for the reinforcement in NPFPs. We look into the relationship between the highly inhomogeneous microscopic structure and the rather universal reinforcement involved in hydrodynamics of nanoparticle and their rigid fractal aggregates. Then the frequently neglected area of strain and stress amplification effects that are sometimes confused with the hydrodynamic one are discussed and highlighted. Finally, we discuss the inhomogeneously structuring characteristics of NPFPs at high filling levels, with special attention paid to the limitations of both theoretical and experimental studies. Several open challenges are remarked upon.     

Theoretical imaging of current profiles in two-dimensional devices

This paper addresses in a concise and rigorous way the basic tools for the study of local longitudinal and transverse microscopic currents in two-dimensional devices. The emphasis is on the optimized use of the Keldysh nonequilibrium Green's function theory together with the tight-binding representation of the electronic system. We elaborate general analytic expressions of current profiles, useful for modeling and simulating the local site-to-site flow of carriers; furthermore, in broken time-reversal symmetry, the formalism discerns unambiguously persistent and transport contributions to the bond currents. Our approach achieves a workable theoretical imaging, resolved in space and energy, of the microscopic currents through mesoscopic devices.     

纳秒脉冲表面介质阻挡等离子体激励唯象学仿真

结合NS-DBD实验数据和理论分析, 建立NS-DBD单区非均匀唯象学模型, 旨在通过合理的模型进行流动控制仿真, 揭示流动控制机理. 在平板无来流时, 运用单区非均匀唯象学模型, 通过引入涡量输运方程, 求解涡量方程各项, 分析展向涡形成机理. 展向涡主要是由压力升诱导激励区压力梯度和密度梯度的不正交性产生的, 其次是激励区附近流场的对流引起的涡量转移. 圆柱上的激励仿真得到与实验一致的压缩波结构和冲击波位置, 验证了模型合理性. NACA 0015翼型大迎角分离控制的仿真表明, 激励诱导展向涡促使主流和分离流相互作用, 使分离点移向下游; 脉冲激励频率通过诱导展向涡的数量对流动分离产生不同的作用效果, 本文最佳的无量纲激励频率为6.     

多层不均匀材料中光吸收系数深度分布计算的理论处理

提出了一种通过光热法测定与样品表面温度有关的光热信号，重构反映多层不均匀材料中光吸收系数深度分布的理论处理和新的有效数值计算方法，数值模拟显示了较好的逼近效果。     

Laser-induced coherent modulation of solid and liquid surfaces

The interaction of a single spatially coherent, polarized laser beam with an interface possessing microscopic roughness leads to inhomogeneous energy deposition due to the interference between the incident beam and scattered interface fields. At high intensities this can lead to spatially periodic melting or vaporization of solid or liquid layers, and temporary or permanent modification of the interface. We review our experimental and theoretical work and discuss the detailed electrodynamics, spatial spectra, surface structure and temporal growth characteristics of this phenomenon.     

各向异性超导体的Ginzburg-Landau理论

本文内容主要有二个方面 :1 )由各向同性均匀系的BCS理论扩展到各向异性非均匀系 ,并给出各向异性非均匀系的完整的GL方程式 ,定出了各个宏微观参量间的关系式。2 )结合层状结构氧化物超导体的导电层与非导电层相间的特征等 ,用有效调制势模型和电子有效质量近似 ,将各向同性均匀系的BCS理论较具体地扩展到各向异性非均匀系并进行深化研究。扩展理论所给出的临界温度和能隙方程公式 ,主要的热力学性质和电磁性质公式等应用到YBaCuO超导体上 ,理论结果与实验结果均相符 ,并也给出各向异性非均匀系的完整的GL方程式 ,与上面 1所给出的形式相同 ,也定出了各个宏微观参量间的关系 ,应用到YBaCuO超导体的一些主要性质上也与实验结果相符。     

各向异性超导体的Ginzburg-Landau理论

本文内容主要有二个方面：1）由各各同性均匀系的BCS理论扩展到各向异性非均匀系，并给出各种异性非均匀系的完整的GL方程式，定出了各个宏微观参量间的关系式。2）结合层状结构氧化物超导体的导电层在导电层相间的特征等，用有效调制势模型和电子有效质量近似，交各向同性均匀系的BCS理论较具体的扩展到各向异性非均匀系并进行深化研究，扩展理论所给出的临界温度和能隙方程公式，主要的热力学性质和电磁性质公式等应用到YBaCuO超导体上，理论结果与实验结果均相符，并也给出各向异性非均匀系的完整的GL方程式，与上面1所给出的形式相同，也定出了各个宏微观参量间的关系，应用到YBaCuO超导体的一些主要性质上也与实验结果相符。