van der Waals coefficients for positronium interactions with atoms

The random-phase approximation with exchange (RPAE) is used with a B-spline basis to compute dynamic dipole polarizabilities of noble-gas atoms and several other closed-shell atoms (Be, Mg, Ca, Zn, Sr, Cd, and Ba). From these, values of the van der Waals C₆ constants for positronium interactions with these atoms are determined and compared with existing data. After correcting the RPAE polarizabilities to fit the most accurate static polarizability data, our best predictions of C₆ for Ps–noble-gas pairs are expected to be accurate to within 1%, and to within a few percent for the alkaline-earth metals. We also used accurate dynamic dipole polarizabilities from the literature to compute the C₆ coefficients for the alkali-metal atoms. Implications of increased C₆ values for Ps scattering from more polarizable atoms are discussed.

Epitaxial growth of molecular crystals on van der Waals substrates for high-performance organic electronics

Epitaxial van der Waals (vdW) heterostructures of organic and layered materials are demonstrated to create high-performance organic electronic devices. High-quality rubrene films with large single-crystalline domains are grown on h-BN dielectric layers via vdW epitaxy. In addition, high carrier mobility comparable to free-standing single-crystal counterparts is achieved by forming interfacial electrical contacts with graphene electrodes.

Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections

In this work, we present a thorough assessment of the performance of some representative double-hybrid density functionals (revPBE0-DH-NL and B2PLYP-NL) as well as their parent hybrid and GGA counterparts, in combination with the most modern version of the nonlocal (NL) van der Waals correction to describe very large weakly interacting molecular systems dominated by noncovalent interactions. Prior to the assessment, an accurate and homogeneous set of reference interaction energies was computed for the supramolecular complexes constituting the L7 and S12L data sets by using the novel, precise, and efficient DLPNO-CCSD(T) method at the complete basis set limit (CBS). The correction of the basis set superposition error and the inclusion of the deformation energies (for the S12L set) have been crucial for obtaining precise DLPNO-CCSD(T)/CBS interaction energies. Among the density functionals evaluated, the double-hybrid revPBE0-DH-NL and B2PLYP-NL with the three-body dispersion correction provide remarkably accurate association energies very close to the chemical accuracy. Overall, the NL van der Waals approach combined with proper density functionals can be seen as an accurate and affordable computational tool for the modeling of large weakly bonded supramolecular systems.

Critical-point Properties of Liquids and the Born-Green Theory

Recent work of Jones et al. giving the long-range behaviour of the pair correlation function is used to confirm that the critical ratio Pc/nckBTc = 1/2 in the Born-Green theory. This deviates from experimental results on simple insulating liquids by more than the predictions of the van der Waals equation of state. A brief discussion of conditions for thermodynamic consistency, which the Born-Green theory violates, is then given. Finally, the approach of the Ornstein-Zernike correlation function to its critical point behaviour is discussed within the Born-Green theory.

A multistep transversal linearization (MTL) method in non-linear dynamics through a Magnus characterization

A new form of a multi-step transversal linearization (MTL) method is developed and numerically explored in this study for a numeric-analytical integration of non-linear dynamical systems under deterministic excitations. As with other transversal linearization methods, the present version also requires that the linearized solution manifold transversally intersects the non-linear solution manifold at a chosen set of points or cross-section in the state space. However, a major point of departure of the present method is that it has the flexibility of treating non-linear damping and stiffness terms of the original system as damping and stiffness terms in the transversally linearized system, even though these linearized terms become explicit functions of time. From this perspective, the present development is closely related to the popular practice of tangent-space linearization adopted in finite element (FE) based solutions of non-linear problems in structural dynamics. The only difference is that the MTL method would require construction of transversal system matrices in lieu of the tangent system matrices needed within an FE framework. The resulting time-varying linearized system matrix is then treated as a Lie element using Magnus’ characterization [W. Magnus, On the exponential solution of differential equations for a linear operator, Commun. Pure Appl. Math., VII (1954) 649–673] and the associated fundamental solution matrix (FSM) is obtained through repeated Lie-bracket operations (or nested commutators). An advantage of this approach is that the underlying exponential transformation could preserve certain intrinsic structural properties of the solution of the non-linear problem. Yet another advantage of the transversal linearization lies in the non-unique representation of the linearized vector field – an aspect that has been specifically exploited in this study to enhance the spectral stability of the proposed family of methods and thus contain the temporal propagation of local errors. A simple analysis of the formal orders of accuracy is provided within a finite dimensional framework. Only a limited numerical exploration of the method is presently provided for a couple of popularly known non-linear oscillators, viz. a hardening Duffing oscillator, which has a non-linear stiffness term, and the van der Pol oscillator, which is self-excited and has a non-linear damping term.

Narrowband random excitation of a limit cycle system

The response of the Van der Pol oscillator to stationary narrowband Gaussian excitation is considered. The central frequency of excitation is taken to be in the neighborhood of the system limit cycle frequency. The solution is obtained using a non-Gaussian closure approximation on the probability density function of the response. The validity of the solution is examined with the help of a stochastic stability analysis. Solution based on Stratonovich''s quasistatic averaging technique is also obtained. The comparison of the theoretical solutions with the digital simulations shows that the theoretical estimates are reasonably good.

一类非线性振动系统的渐近解

本文提出分析一类强非线性振子的一种渐近方法,导出了用振幅和相位表示的二阶近似解,给出了振幅和相位所满足的方程,借此可以确定极限环的振幅和性态。作为实例,还研究了修正的van der Pol振子,给出了相应的极限环的二阶近似解析解,与数值解的比较表明,两者非常相符。

Asymptotic solutions to a class of nonlinear oscillation systems

In this paper, we present an asymptotic method for the analysis of a class of strongly nonlinear oscillators, derive second-order approximate solutions to them expressed in terms of their amplitudes and phases, and obtain the equations governing the amplitudes and phases, by which the amplitudes of the corresponding limit cycles and their behaviour can be determined. As an example, we investigate the modified van der Pol oscillator and give the second-order approximate analytical solution of its limit cycle. The comparison with the numerical solutions shows that the two results agree well with each other.

Analog methods of nonlinear vibration analysis

This thesis presents methods by which electrical analogies can be obtained for nonlinear systems. The accuracy of these methods is investigated and several specific types of nonlinear equations are studied in detail.

In Part I a general method is given for obtaining electrical analogs of nonlinear systems with one degree of freedom. Loop and node methods are compared and the stability of the loop analogy is briefly considered.

Parts II and III give a description of the equipment and a discussion of its accuracy. Comparisons are made between experimental and analytic solutions of linear systems.

Part IV is concerned with systems having a nonlinear restoring force. In particular, solutions of Duffing's equation are obtained, both by using the electrical analogy and also by approximate analytical methods.

Systems with nonlinear damping are considered in Part V. Two specific examples are chosen: (1) forced oscillations and (2) self-excited oscillations (van der Pol’s equation). Comparisons are made with approximate analytic solutions.

Part VI gives experimental data for a system obeying Mathieu's equation. Regions of stability are obtained. Examples of subharmonic, ultraharmonic, and ultrasubharmonic oscillat1ons are shown.

Lock-in and quasiperiodicity in a forced hydrodynamically self-excited jet

The ability of hydrodynamically self-excited jets to lock into strong external forcing is well known. Their dynamics before lock-in and the specific bifurcations through which they lock in, however, are less well known. In this experimental study, we acoustically force a low-density jet around its natural global frequency. We examine its response leading up to lock-in and compare this to that of a forced van der Pol oscillator. We find that, when forced at increasing amplitudes, the jet undergoes a sequence of two nonlinear transitions: (i) from periodicity to T{double-struck}2 quasiperiodicity via a torus-birth bifurcation; and then (ii) from T{double-struck}2 quasiperiodicity to 1:1 lock-in via either a saddle-node bifurcation with frequency pulling, if the forcing and natural frequencies are close together, or a torus-death bifurcation without frequency pulling, but with a gradual suppression of the natural mode, if the two frequencies are far apart. We also find that the jet locks in most readily when forced close to its natural frequency, but that the details contain two asymmetries: the jet (i) locks in more readily and (ii) oscillates more strongly when it is forced below its natural frequency than when it is forced above it. Except for the second asymmetry, all of these transitions, bifurcations and dynamics are accurately reproduced by the forced van der Pol oscillator. This shows that this complex (infinite-dimensional) forced self-excited jet can be modelled reasonably well as a simple (three-dimensional) forced self-excited oscillator. This result adds to the growing evidence that open self-excited flows behave essentially like low-dimensional nonlinear dynamical systems. It also strengthens the universality of such flows, raising the possibility that more of them, including some industrially relevant flames, can be similarly modelled. © 2013 Cambridge University Press.

圆柱涡激振动的结构-尾流振子耦合模型研究

建立了一个新的结构一尾流振子耦合模型, 流场近尾迹动力学特征被模化为非线性阻尼振子, 采用van der Pol方程描述.以控制体中结构与近尾迹流体间受力互为反作用关系来实现流固耦合, 采用该模型进行了二维结构涡激振动计算, 得到了合理的振幅随来流流速的变化规律和共振幅值, 并正确地预计了共振振幅值 A~*_(max) 随着质量阻尼参数(m~*+ C_A)ζ的变化规律, 给出了预测A*_(max) 值的拟合公式, 采用该模型计算了三维柔性结构在均匀来流和简谐波形来流作用下的VIV响应.结构在均匀来流作用下振动呈现由驻波向行波的变化过程, 并最后稳定为行波振动形态, 在简谐波形来流作用下, 结构呈现混合振动形态, 幅值随时间呈周期变化

Migración interna

Complementa la información contenida en los documentos publicados con los símbolos LC/DEM/CR/G.7 y G.9

Aceleração de Fermi em bilhares com fronteiras dependentes do tempo descritas por osciladores não lineares: caso conservativo e dissipativo

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)