Classical theory of atom–surface scattering: The rainbow effect

The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the “washboard model” in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom–surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom–surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle–surface interactions.     

Laser-induced condensation in colloid—polymer mixtures

We study a mixture of hard sphere colloidal particles and non-adsorbing polymers exposed to a plane wave external potential which represents a three-dimensional standing laser field. With computer simulations and density functional theory we investigate the structure and phase behaviour using the simple Asakura-Oosawa model. For varying laser wavelength λ we monitor the emergence of structure in response to the external field, as measured by the amplitude of the oscillations in the one-body density distribution. Between the ideal gas limit for small λ and the bulk limit of large λ there is a non-monotonic crossover that is governed by commensurability of λ and the colloid diameter. The theoretical curves are in good agreement with simulation results. Furthermore, the effect of the periodic field on the liquid-vapour transition is studied, a situation that we refer to as laser-induced condensation. Above a threshold value for λ the theoretical phase diagram indicates the stability of a ‘stacked’ fluid phase, which is a periodic succession (in the beam direction) of liquid and vapour slabs. This partially condensed phase causes a splitting of the liquid-vapour binodal leading to two critical and a triple point. All our predictions should be experimentally observable for colloid-polymer mixtures in an optical resonator.     

Dynamics in entangled polyethylene melts

Polymer dynamics creates distinctive viscoelastic behavior as a result of a coupled interplay of motion at the atomic length scale and motion of the entire macromolecule. Capturing the broad time and length scales of polymeric motion however, remains a challenge. Using linear polyethylene as a model system, we probe the effects of the degree of coarse graining on polymer dynamics. Coarse-grained (CG) potentials are derived using iterative Boltzmann inversion with λ methylene groups per CG bead (denoted CGλ) with λ = 2,3,4 and 6 from a fully-atomistic polyethylene melt simulation. By rescaling time in the CG models by a factor α, the chain mobility for the atomistic and CG models match. We show that independent of the degree of coarse graining, all measured static and dynamic properties are essentially the same once the dynamic scaling factor α and a non-crossing constraint for the CG6 model are included. The speedup of the CG4 model is about 3 times that of the CG3 model and is comparable to that of the CG6 model. Using these CG models we were able to reach times of over 500 μs, allowing us to measure a number of quantities, including the stress relaxation function, plateau modulus and shear viscosity, and compare directly to experiment.     

具有大范围运动和非线性变形的空间柔性梁在非惯性坐标系下的动力学分析

本文针对具有大范围运动和非线性变形的空间柔性梁, 导出其在运动规律已知的非惯性坐标系下的动力学方程. 通过计算分析, 发现在本文精确模型下, 其各矩阵项较原来的一次耦合模型增加了两类耦合项. 通过仿真研究, 发现由于这两类耦合项的作用造成了附加刚度项K₁、动力刚度项K_d 的变化, 而刚度项对结构的动力学特性具有较大的影响.     

Perturbation theory for the square-well dimer fluid

An analytical equation of state is presented for the square-well dimer fluid of variable well width (1 ≤ λ ≥ 2) based on Barker-Henderson perturbation theory using the recently developed analytical expression for radial distribution function of hard dimers. The integral in the first- and the second-order perturbation terms utilizes the Tang, Y and Lu, B. C.-Y., 1994, J. chem. Phys., 100, 6665 formula for the Hilbert transform. To test the equation of state, NVT and Gibbs ensemble Monte Carlo simulations for square-well dimer fluids are performed for three different well widths (λ = 1.3, 1.5 and 1.8). The prediction of the perturbation theory is also compared with that of thermodynamic perturbation theory in which the equation of state for the square-well dimer is written in terms of that of square-well monomers and the contact value of the radial distribution function.     

单模光纤弯曲损耗的测量与分析

从理论和实验两方面讨论了弯曲半径及工作波长对单模光纤弯曲损耗的影响，测量了1310nm和1550nm波长光作用下，弯曲损耗随弯曲半径的变化关系。结果表明：随着弯曲半径的增大，弯曲损耗系数呈下降趋势，并且伴有振荡现象出现；而且，在弯曲半径较大时，弯曲损耗变化平缓，1550nm波长较1310nm波长明显更易产生弯曲损耗，而小弯曲半径对应的弯曲损耗振荡剧烈，此时两种光波长对弯曲损耗的敏感程度交替变大。     

具有大范围运动和非线性变形的空间柔性梁的精确动力学建模

研究具有大范围运动和非线性变形的空间柔性梁的有限元动力学建模.首先在精确描述空间柔性梁的非线性变形的基础上,采用有限元方法对梁结构进行离散,导出其动能、势能及外力对应的广义力,然后利用Lagrange方程建立了空间柔性梁的精确动力学方程.该方程在原有一次耦合模型的基础上,增加了新的表征纵向、横向、侧向弯曲变形,以及扭转变形的耦合项,同时包含了变形运动与大范围运动之间的相互耦合项.本建模方法和所得结论可为以后空间柔性梁的动力学特性分析作以参考.     

Cosmological Constant and Stability of the Cosmological Models

The importance of cosmological constant for the cosmological models is given. The variations of the cosmological model for parameters λ and k were discussed respectively. Near λ = 0, the cosmological model is unstable with the change of λ, and near λ = β = 0, the cosmological model is unstable with the change of k. So when we consider the stable cosmological model, we must consider the nonzero cosmological constant.     

A study of the critical behavior of the O(N) linear and nonlinear σ models

A study of the large N behavior of both the O(N) linear and nonlinear σ models is presented. The purpose is to investigate the relationship between the disordered (ordered) phase of the linear and nonlinear sigma models. Utilizing operator product expansions and stability analyses, it is shown that for 2 ≤ d < 4, it is the dimensionless renormalized quartic coupling and $\text{λ}{}^1$ is the IR fixed point) limit of the linear σ model which yields the nonlinear σ model. It is also shown that stable large N linear σ models with λ < 0 (σ is the bare quartic coupling) can exist (at least in the context of no tachyonic states being present). A criteria valid for all dimensionalities d, less than four, is derived which determines when λ < 0 models are tachyonic free. Arguments are given showing that the d = 4 large N linear (for λ > 0) and nonlinear models are trivial. This result (i.e., triviality) is well known but only for one and two component models. Interestingly enough, the λ < 0, d = 4 linear σ model remains nontrivial and tachyonic free.     

High-frequency Waves in Gravitational Theories with Fourth-order Derivative Equations

For Einstein's gravitational equations with fourth-order corrections being proportional to the square of an elementary length l, we discuss the behaviour of high-frequency waves. It is shown that (1) only waves with lengths λ ? can generate a macroscopic avarage background (for λ < l, only the terms αl² are decisive such that one has the same situation as in a pure fourth-order theory without Einstein term which cannot be interpreted as gravitational theory), (2) for λ ? l the background metric is purely determined via the second-order derivative Einstein tensor (formally one obtains the same equations for the background as in the non-modified Einsteinian theory), and (3) only waves corresponding to the massless and the massive spin-two gravitons contribute to background curvature; in the geometrical-optics approximation, these both particle sorts are moving independent of each other and satisfy a conservation law for the total number of m = 0 and massive spin-two gravitons, respectively. The results obtained in this paper corroborate partly the conclusions drawn in the weak-field approximation [11, 15, 18].     

An application of cell theory to molecular models of n-alkane solids

Solid phase properties for hard sphere chain molecular models of n-alkanes are calculated using the cell theory, and a numerical method for implementation of cell theory for chain molecules is described. Good agreement with Monte Carlo simulations for solid phase properties is obtained from the theory. By using cell theory for the solid phase and an equation of state for the fluid phase, solid-phase equilibrium can be calculated. The predictions are in quite good agreement with Monte Carlo simulation results. Cell theory is used to assess the impact of an approximate treatment used in earlier work for the effect of the temperature dependence of the molecular flexibility upon the solid phase properties of a hard chain model with a realistic torsional potential.     

平面柔性梁的刚-柔耦合动力学特性分析与仿真

针对大范围运动规律为未知的刚-柔耦合系统研究其动力学特性.利用有限元方法对柔性梁进行离散,采用Lagrange方程建立平面柔性梁的刚-柔耦合动力学方程,研究在大范围运动为自由情况下,平面柔性梁的大范围运动和变形运动的相互耦合机理,比较零次模型、一次耦合模型及精确模型的差异,探讨各种模型的适用性. 关键词： 平面柔性梁 刚-柔耦合系统 动力学特性 分析与仿真     

In-situ small-angle X-ray scattering study of dynamic precipitation in an Al-Zn-Mg-Cu alloy

Dynamic precipitation during room-temperature deformation of an Al-Zn-Mg-Cu alloy in solid solution has been investigated using in-situ small-angle X-ray scattering measurements during tensile tests, performed at the European Synchrotron Radiation Facility. Guinier-Preston (GP) zones are observed to form continuously during the deformation process, and the quantitative measurement of their size and volume fraction shows that their precipitation kinetics are much faster than those of static precipitation. A strong negative strain-rate sensitivity of dynamic precipitation has been observed. A model for the hardening effect of the GP zones is deduced from the evolution of yield stress during static ageing at room temperature. This model is applied to the dynamic precipitation kinetics in order to describe the anomalously high strain-hardening rate observed in these deformation conditions. The kinetics of dynamic precipitation are discussed in terms of semiphenomenological models based on the dynamic strain-ageing theory.     

Base pair openings and temperature dependence of DNA flexibility

The relationship of base pair openings to DNA flexibility is examined. Published experimental data on the temperature dependence of the persistence length by two different groups are well described in terms of an inhomogeneous Kratky-Porot model with soft and hard joints, corresponding to open and closed base pairs, and sequence-dependent statistical information about the state of each pair provided by a Peyrard-Bishop-Dauxois (PBD) model calculation with no freely adjustable parameters.     

Novel Kinetic Theory of the Classical Isotropic Oscillator Gas, the Flexible Shell Model

Ever since Chapman and Enskog first used the hard sphere model to evaluate the collision integral in the Boltzmann equation, more sophisticated models for molecular encounters have been sought. Rotation of molecules in kinetic theory has been pursued with a number of models, such as the spherocylinder or loaded sphere, to account for that aspect. As these efforts continued, more workers started to incorporate quantum mechanics methods in pursuit of solutions to the Boltzmann equation. Progress there with both rotational and vibrational features of molecules has been attained. Until now though, there has been no classical vibration model for molecules in kinetic theory. Far from standard kinetic theory, here a simple classical mechanics isotropic oscillator is combined, through a flexible shell, with the hard sphere model in a full Chapman Enskog procedure. The intent here has been to introduce the model, so items like translational-vibrational coupling have not been included. Still, the results compliment literature.     

动态柱形空穴膨胀模型及其在侵彻问题中的应用

 在侵彻问题中的应用进行了研究。通过采用相似变换求解塑性区控制方程，获得了动态柱形空穴膨胀中的弹塑性界面速度、径向应力分布、空穴表面应力的解。基于柱形空穴模型，推导了侵彻方程，并将其得到的预测结果与侵彻实验数据进行了比较。结果表明，模型的理论解与现有数据吻合得很好。 结果还显示了材料的可压缩性和塑性强化模量对柱形空穴膨胀以及侵彻阻力的影响。     

X-ray masks based on epoxygraphite

A simple fabrication technology of hard X-ray masks with thin (50–150μm thick) X-ray transparent bearing membranes made of a new material, i.e., polymerized epoxy resin with graphite filler (hereafter, epoxygraphite), is described. The first results of using such masks in pattern scanning synchrotron X-ray lithography in the exposing radiation wavelength range λ ≈ 0.5–3 Å are presented. The prospects of applications of such masks in the softer spectral range λ ≈ 3–7 Å are considered.     

Renormalized field theory of critical dynamics

We formulate a Gell'Mann-Low-type renormalization group approach to the critical dynamics of stochastic models described by Langevin or Fokker-Planck equations including mode-coupling terms.Dynamical correlation and response functions are expressed in terms of path integrals, which are investigated by well-known methods of renormalized perturbation theory.Dynamical scaling laws and relations between static and dynamic critical exponents are derived. The leading temperature-dependence of correlation and response functions is obtained from the Kadanoff-Wilson short-distance expansion. We also consider corrections to dynamic scaling which are due to a finite lattice constant.