Self-organized nanostructures in surface chemical reactions: Mechanisms and mesoscopic modeling

Nanoscale patterns can form in reactive adsorbates on catalytic surfaces as a result of attractive lateral interactions. These structures can be described within a mesoscopic theory that is derived by coarse graining the microscopic master equation thus providing a link between microscopic lattice models and reaction-diffusion equations. Such mesoscopic models allow to systematically investigate mechanisms responsible for the formation of nanoscale nonequilibrium patterns in reactive condensed matter. We have found that stationary and traveling nanostructures may result from the interplay of the attractive lateral interactions and nonequilibrium reactions. Besides reviewing these results, a detailed investigation of a single reactive adsorbate in the presence of attractive lateral interactions and global coupling through the gas phase is presented. Finally, it is outlined how a mesoscopic theory should be constructed for a particular scanning tunneling microscopy experiment [the oxidation of hydrogen on a Pt(111) surface] in order to overcome the failure of a corresponding reaction-diffusion model to quantitatively reproduce the experiments. (c) 2002 American Institute of Physics.     

Nanoscale Tail Aggregation in Ionic Liquids: Roles of Electrostatic and van der Waals Interactions

Nanoscale spatial heterogeneity in ionic liquids is formed by the aggregation of cationic tail groups. The electrostatic interactions between polar groups and the collective van der Waals interactions between nonpolar tail groups both contribute to the formation of tail domains, but the degrees of their contributions
were unknown. In this work, by applying a strong external electric field to effectively overpower the electrostatic interactions between polar groups, we have determined that the tail aggregation is majorly attributed to the electrostatic interactions and the van der Waals interactions only have minor influence on the spatial heterogeneity phenomenon of ionic liquids.     

Nonequilibrium Green's Function Approach to Resonant Magnetotunneling Through a Quantum Dot

Keldysh's nonequilibrium Green's function is applied to studying resonant magnetotunneling through a quantum dot. We propose a microscopic Anderson-impurity-like Hamiltonian in which two kinds of the on-site Coulomb interactions are introduced:the interaction of two electrons at the same Landau level with different spins, U₁ and the interaction for the electrons between different Landau levels, U₁. I-V curves are obtained under different magnetic fields in asymmetrical structures which can display both the energy quantization and singleelectron charging effect. The theoretical results are in good agreement with the experiments qualitatively. The linear-response conductance is also discussed.     

Nucleation, drift, and decay of phase bubbles in period-2 oscillatory wave trains in a reaction-diffusion system

This is a report on experimental observations of phase bubbles, simply closed boundaries between domains oscillating 2pi out of phase, associated with period-2 oscillatory traveling waves in a Belousov-Zhabotinsky reaction-diffusion system. The bubbles nucleate spontaneously through a fast localized phase slip, drift radially away from a neighboring spiral wave core in an oscillatory fashion, and gradually shrink to disappear. Their oscillatory drift along the radial direction is a consequence of "period adaptation," while their lateral shrinkage is an attribute of local curvature. Similar dynamic structures can be reproduced in a simple, three-species reaction-diffusion model that supports period-2 oscillatory wave trains.     

Noncontacting lateral transportation using gas squeeze film generated by flexural traveling waves--numerical analysis

This paper presents the theory describing the dynamical behavior of a noncontacting lateral transportation of planer objects by means of a gas squeeze film created by traveling flexural waves of a driving surface. An oscillating motion in the normal direction between two surfaces can generate a gas film with an average pressure higher than the surrounding. This load-carrying phenomenon arises from the fact that a viscous flow cannot be instantaneously squeezed; therefore, fast vibrations give rise to a cushioning effect. Equilibrium is established through a balance between viscous flow forces and compressibility forces. When the oscillatory motion between two surfaces creates traveling waves, lateral viscous forces are generated in addition to the normal levitation forces. These forces are produced as a result of nonuniform pressure gradients in the lateral direction between the surfaces. The combination of normal and lateral forces could be used for transporting objects without any direct contact with the driving surface. The numerical algorithm in this work couples the squeeze film phenomenon, which is represented by means of finite difference equations, to model a variant of the Reynolds equation, together with the equations describing the dynamics of the floating object. Numerical simulations are presented and investigated to highlight noteworthy topics.     

行波管中慢电磁行波与电子注非线性互作用普遍理论

在同时考虑多信号输入和相对论效应的情况下，利用波导激励理论获得了行波管中慢电磁行波与电子注非线性互作用的全三维自洽工作方程组，包括激发方程、运动方程、能量转化方程、相位演化方程等，适合大部分行波管中慢电磁行波与电子注的非线性互作用过程.利用该理论具体分析了一个宽带螺旋线行波管在多信号输入时的交叉调制，并与实验结果进行了比较，验证了理论和计算的正确性.另外，还模拟了一个相对论盘荷波导行波管中的非线性注波互作用过程. 关键词： 行波管 慢电磁行波 非线性注波互作用 交叉调制     

Hierarchic Structure Formation in Binary and Ternary Polymer Blends

The phase morphology of multi-component polymer blends is governed by the interfacial interactions of its components. We discuss here the domain morphology in thin films of model binary and ternary polymer blends containing polystyrene, poly(methyl metacrylate), and poly(2-vinylpyridine) (PS, PMMA, PVP). When sandwiched between two non-polar surfaces, characteristic lateral phase morphologies are observed after the film formation by spin-coating. We discuss here two techniques, by which hierarchical lateral structures in polymer films can be made. The first method makes use of two simultaneously occurring interfacial instabilities. The second technique employs the effect of a variation of the enthalpic interaction parameters in a ternary polymer mixture on its lateral polymer phase morphology.     

Shedding patterns in flow-structure interactions

We use direct numerical simulation (DNS) based on spectral methods and the parallel codeNekTar to simulate incompressible and compressible flow past flexible structures. Specifically, we consider incompressible turbulent flow past flexible cylinders subject to vortex-induced vibrations (VIV), and compressible flow past a three-dimensional flexible wing subject to insect-like motion. We present several shedding patterns that reveal new oblique shedding modes resembling modulated traveling and standing wave response waves for flexible cylinders as well as strong three-dimensional interactions for flexible wings.     

Identifying coherent structures in nonlinear wave propagation

Nonlinear wave phenomena are often characterized by the appearance of "solitary wave coherent structures" traveling at speeds determined by their amplitudes and morphologies. Assuming that time intervals exist in which these structures are essentially noninteracting, a method for identifying the number of independent features and their respective speeds is proposed and developed. The method is illustrated with a variety of increasingly realistic specific applications, beginning with a simple nonlinear but analytically tractable Gaussian model, continuing with (numerically generated) data describing multisoliton solutions to the Korteweg-de Vries equation, and concluding with (numerical) data from a realistic simulation of nonlinear wave interactions in plasma turbulence. These studies reveal both strengths and limitations of the method in its present incarnation and suggest topics for future investigations.     

The D'Alembert type waves and the soliton molecules in a (2+1)-dimensional Kadomtsev-Petviashvili with its hierarchy equation

For a one (2+1)-dimensional combined Kadomtsev-Petviashvili with its hierarchy equation, the missing D'Alembert type solution is derived first through the traveling wave transformation which contains several special kink molecule structures. Further, after introducing the Bäcklund transformation and an auxiliary variable, the N-soliton solution which contains some soliton molecules for this equation, is presented through its Hirota bilinear form. The concrete molecules including line solitons, breathers and a lump as well as several interactions of their hybrid are shown with the aid of special conditions and parameters. All these dynamical features are demonstrated through the different figures.     

Experimental study of traveling waves and target patterns in oscillatory reacting media

Recent experimental work on is presented traveling waves and target patterns developing in oscillatory Belousov-Zhabotinsky reagents. It only deals with trigger waves and relaxation oscillations. Measurements have been made on (1) the dispersion relation of waves, (2) the statistical properties of centers and targets, (3) the wavefront and speed near the core of the pattern. Several unanticipated results are reported.     

Nonequilibrium second-order phase transitions in stochastic lattice systems: A finite-size scaling analysis in two dimensions

Two-dimensional lattice-gas models with attractive interactions and particleconserving happing dynamics under the influence of a very large external electric field along a principal axis are studied in the case of a critical density. A finite-size scaling analysis allows the evaluation of critical indexes for the infinite system asβ=0.230±0.003,v=0.55±0.2, and α 0. We also describe some qualitative features of the system evolution and the existence of certain anisotropic order even well above the critical temperature in the case of finite lattices.     

Two-dimensional modeling of an aircraft engine structural bladed disk-casing modal interaction

In modern turbo machines such as aircraft jet engines, structural contacts between the casing and bladed disk may occur through a variety of mechanisms: coincidence of vibration modes, thermal deformation of the casing, rotor imbalance due to design uncertainties to name a few. These nonlinear interactions may result in severe damage to both structures and it is important to understand the physical circumstances under which they occur. In this study, we focus on a modal coincidence during which the vibrations of each structure take the form of a k-nodal diameter traveling wave characteristic of axi-symmetric geometries. A realistic two-dimensional model of the casing and bladed disk is introduced in order to predict the occurrence of this very specific interaction phenomenon versus the rotation speed of the engine. The equations of motion are solved using an explicit time integration scheme in conjunction with the Lagrange multiplier method where friction is accounted for. This model is validated from the comparison with an analytical solution. The numerical results show that the structures may experience different kinds of behaviors (namely damped, sustained and divergent motions) mainly depending on the rotational velocity of the bladed disk.     

Moving archetypes

We introduce a variation of the statistical method archetypal analysis (Cutler and Breiman, 1994) that tracks moving structures, such as traveling waves or solitons, in a data set. By using this method the traveling part of the motion is separated from the stationary (or semi-stationary) pattern.     

Nonequilibriurn discontinuous phase transitions in a fast ionic conductor model: Coexistence and spinodal lines

Two-dimensional lattice-gas models with attractive interactions and particle-conserving hopping dynamics under the influence of a very large external electric field along a principal axis are studied in the case of off-critical densities. We describe the corresponding nonequilibrium first-order phase transitions, evaluate coexistence and spinodal lines, and make some comparisons with experimental observations on fast ionic conductors.See Ref. 1 (henceforth referred to as II) for references.     

Modelling non-equilibrium self-assembly from dissipation

Non-equilibrium self-assembly is ubiquitous in physico-chemical and biological systems, and manifests itself at different scales, ranging from the molecular to the cosmological. The formation of microtubules, gels, cells and living beings among many others takes place through self-assembly under nonequilibrium conditions. We propose a general thermodynamic non-equilibrium model to understand the formation of assembled structures such as gels and Liesegang patterns and at the same time able to describe the kinetics and the energetics of the structure formation process. The model is supported for a global mechanism to obtain self-assembled structures from building blocks via activation, deactivation, assembly, and disassembly processes. It is proposed that the resulting structures can be characterised by a structural parameter. Our model may contribute to a better understanding of non-equilibrium self-assembly processes and give deeper insight as to how to obtain a specific structural architecture to materials, such as hydrogels which are of great importance in the design of advanced devices and novel materials.     

Dynamical behaviors of traveling wave solutions to a Fujimoto-Watanabe equation

We study dynamical behaviors of traveling wave solutions to a Fujimoto-Watanabe equation using the method of dynamical systems. We obtain all possible bifurcations of phase portraits of the system in different regions of the threedimensional parameter space. Then we show the required conditions to guarantee the existence of traveling wave solutions including solitary wave solutions, periodic wave solutions, kink-like(antikink-like) wave solutions, and compactons. Moreover, we present exact expressions and simulations of these traveling wave solutions. The dynamical behaviors of these new traveling wave solutions will greatly enrich the previews results and further help us understand the physical structures and analyze the propagation of nonlinear waves.     

Emergent biaxiality in nematic microflows illuminated by a laser beam

Anisotropic fluids (e.g. liquid crystals) offer a remarkable promise as optofluidic materials owing to the directional, tunable, and coupled interactions between the material, flow, and the optical fields. Here we present a comprehensive in silico treatment of this anisotropic interaction by performing nonequilibrium molecular dynamics simulations. We quantify the response of a nematic liquid crystal (NLC) undergoing a Poiseuille flow in the Stokes regime, while being illuminated by a laser beam incident perpendicular to the flow direction. We adopt a minimalistic model to capture the interactions, accounting for two features: first, the laser heats up the NLC locally; and second, the laser polarises the NLC and exerts an optical torque that tends to reorient molecules of the nematic phase. Because of this reorientation the liquid crystal exhibits small regions of biaxiality, where the nematic director is one symmetry axis and the axis of rotation for the reorientation of the molecules is the other one. We find that the relative strength of the viscous and the optical torques mediates the flow-induced response of the biaxial regions, thereby tuning the emergence, shape and location of the regions of enhanced biaxiality. The mechanistic framework presented here promises experimentally tractable routes toward novel optofluidic applications based on material-flow-light interactions.     

相对论行波管高频系统的数值模拟及实验验证

 分别采用有限元算法软件（HFSS）和有限积分法软件（MAFIA）对相对论行波管盘荷波导慢波结构进行建模，求出了相应的色散曲线。在此基础上设计了可用于相对论行波管的一种宽带和一种窄带的盘荷波导结构。加工了它们的冷测模型，测试曲线和模拟曲线吻合很好，从而验证了这两种软件尽管计算方法不同，但都可以对行波管慢波结构本征值问题进行求解。     

飞秒暗孤子间相互作用的数值研究

通过数值模拟对飞秒暗孤子间的相互作用进行了研究，并且同飞秒亮孤子和皮秒暗孤子分别进行了比较，结果表明：同飞秒亮孤子相比，飞秒暗孤子间的相互作用比较小，前者表现为相互吸引、碰撞、合二为一，然后相互排斥，不具有周期性；而后者从一开始就相互排斥，且这种排斥作用较亮孤子来说相当微弱，同样也不具有周期性。此外，数值模拟的结果还表明，飞秒暗孤子间的相互作用同皮秒尺度下暗孤子间的相互作用基本一致，并且通过计算表明，飞秒暗孤子间的相互作用在一定范围内仍可利用皮秒尺度下暗孤子间相互作用的经验公式。但是，数值模拟结果显示，两孤子的初始间距越小，由经验公式计算结果所带来的误差就越大。