On the nonlinear normal modes of free vibration of piecewise linear systems

A modification of the Shaw–Pierre nonlinear normal modes is suggested in order to analyze the vibrations of a piecewise linear mechanical systems with finite degrees of freedom. The use of this approach allows one to reduce to twice the dimension of the nonlinear algebraic equations system for nonlinear normal modes calculations in comparison with systems obtained by previous researchers. Two degrees of freedom and fifteen degrees of freedom nonlinear dynamical systems are investigated numerically by using nonlinear normal modes.     

Electron-mediated entanglement in semiconductor phonon systems

Phonons in condensed matter systems are usually treated as a decohering thermal bath. We study the entanglement between the phononic modes which is created by the interaction with a fermionic system (electrons) whose degrees of freedom are traced out as a thermal bath. The resulting picture thus reverses the usual scheme and aims at highlighting the possibility of exploiting bosonic degrees of freedom in condensed matter systems for new quantum computing protocols.     

Quantum computation and simulation with vibrational modes of trapped ions

Vibrational degrees of freedom in trapped-ion systems have recently been gaining attention as a quantum resource,beyond the role as a mediator for entangling quantum operations on internal degrees of freedom, because of the large available Hilbert space. The vibrational modes can be represented as quantum harmonic oscillators and thus offer a Hilbert space with infinite dimensions. Here we review recent theoretical and experimental progress in the coherent manipulation of the vibrational modes, including bosonic encoding schemes in quantum information, reliable and efficient measurement techniques, and quantum operations that allow various quantum simulations and quantum computation algorithms. We describe experiments using the vibrational modes, including the preparation of non-classical states, molecular vibronic sampling, and applications in quantum thermodynamics. We finally discuss the potential prospects and challenges of trapped-ion vibrational-mode quantum information processing.     

Fractality of the hydrodynamic modes of diffusion

Transport by normal diffusion can be decomposed into hydrodynamic modes which relax exponentially toward the equilibrium state. In chaotic systems with 2 degrees of freedom, the fine scale structures of these modes are singular and fractal, characterized by a Hausdorff dimension given in terms of Ruelle's topological pressure. For long-wavelength modes, we relate the Hausdorff dimension to the diffusion coefficient and the Lyapunov exponent. This relationship is tested numerically on two Lorentz gases, one with hard repulsive forces, the other with attractive, Yukawa forces. The agreement with theory is excellent.     

Eliminating the modal truncation problem encountered in frequency responses of viscoelastic systems

Increasing the number of degrees of freedom used in finite element analysis for mechanical and structural systems with viscoelastic damping, the need to consider the modal truncation problem of viscoelastic systems is more than ever before. The higher modes may be unnecessary to obtain in dynamic analysis for engineering applications. For viscoelastic systems, the modal truncation problem may be more frequently encountered since the nonviscous modes are difficult or even impossible to be found accurately even if a small-scaled problem is considered for some eigensolution methods. This study aims at eliminating the influence of the higher modes on the frequency responses of viscoelastically damped systems. A method is presented by making the equilibrium equations of motion into a subspace equation spanned in terms of the columns of a projection basis obtained by considering the use of the contribution of the lower modes and the first two terms of the Neumann expansion of the contribution of the unavailable modes. Finally, three example studies are provided to illustrate the effectiveness of the derived results. It is shown that the proposed method can reduce the modal truncation error significantly.     

Type II quantum chaos

A classification of quantum systems into three categories, type I, II and III, is proposed. The classification is based on the degree of sensitivity upon initial conditions, and the appearance of chaos. The quantum dynamics of type I systems is quasi periodic displaying no exponential sensitivity. They arise, e.g., as the quantized versions of classical chaotic systems. Type II systems are obtained when classical and quantum degrees of freedom are coupled. Such systems arise naturally in a dynamic extension of the first step of the Born-Oppenheimer approximation, and are of particular importance to molecular and solid state physics. Type II systems can show exponential sensitivity in the quantum subsystem. Type III systems are fully quantized systems which show exponential sensitivity in the quantum dynamics. No example of a type III system is currently established. This paper presents a detailed discussion of a type II quantum chaotic system which models a coupled electronic-vibronic system. It is argued that type II systems are of importance for any field systems (not necessarily quantum) that couple to classical degrees of freedom.     

Entangling different degrees of freedom by quadrature squeezing cylindrically polarized modes

Quantum systems such as, for example, photons, atoms, or Bose-Einstein condensates, prepared in complex states where entanglement between distinct degrees of freedom is present, may display several intriguing features. In this Letter we introduce the concept of such complex quantum states for intense beams of light by exploiting the properties of cylindrically polarized modes. We show that already in a classical picture the spatial and polarization field variables of these modes cannot be factorized. Theoretically it is proven that by quadrature squeezing cylindrically polarized modes one generates entanglement between these two different degrees of freedom. Experimentally we demonstrate amplitude squeezing of an azimuthally polarized mode by exploiting the nonlinear Kerr effect in a specially tailored photonic crystal fiber. These results display that such novel continuous-variable entangled systems can, in principle, be realized.     

高自由度体系微振动本征模式的求解方法

介绍两种求解高自由度体系微振动本征模式的方法．第一种方法：利用对称性经过物理分析寻找本征模式；第二种方法：利用对称性降低体系的自由度，然后用求解本征模式的一般方法解之．     

Cavity cooling of translational and ro-vibrational motion of molecules: ab initio-based simulations for OH and NO

We present detailed calculations on the basis of our recent proposal for simultaneous cooling of the rotational, vibrational and external molecular degrees of freedom [1]. In this method, the molecular ro-vibronic states are coupled by an intense laser and an optical cavity via coherent Raman processes enhanced by the strong coupling with the cavity modes. For a prototype system, OH, we showed that the translational motion is cooled to a few μK and the molecule is brought to the internal ground state in about a second. Here, we investigate numerically the dependence of the cooling scheme on the molecular polarizability, selecting NO as a second example. Furthermore, we demonstrate the general applicability of the proposed cooling scheme to initially vibrationally and rotationally hot molecular systems. PACS 33.80.Ps; 32.80.Lg; 42.50.Pq     

Second Law of Thermodynamics for Macroscopic Mechanics Coupled to Thermodynamic Degrees of Freedom

Starting from and only using classical Hamiltonian dynamics, we prove the maximum work principle in a system where macroscopic dynamical degrees of freedom are intrinsically coupled to microscopic degrees of freedom. Unlike in many of the standard and recent works on the second law, the macroscopic dynamics is not governed by an external action but undergoes the back reaction of the microscopic degrees of freedom. Our theorems cover such physical situations as impact between macroscopic bodies, thermodynamic machines, and molecular motors. Our work identifies and quantifies the physical limitations on the applicability of the second law for small systems.      

Largest Lyapunov exponent in molecular systems. II: Quaternion coordinates and application to methane clusters

We present a numerical procedure for extracting Lyapunov characteristic exponents from classical molecular-dynamics simulations of molecular systems. The theoretical frame chosen to describe the orientational degrees of freedom is the quaternions scheme. We apply the method to small methane clusters. Two different model potentials are used to investigate the role of internal molecular motion on the nonlinear dynamics, and several parameters are calculated to study the thermodynamics and chaotic dynamics of these clusters. Evidence is found for a solidlike to plasticlike phase transition occurring with the release of the orientational degrees of freedom, at low temperatures below the melting point. The largest Lyapunov exponent increases significantly during this transition, but it exhibits no particular variation during melting.     

Local molecular dynamics with coulombic interactions

We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the electrodynamic equations to an external thermostat we show that the algorithm produces an effective Coulomb potential between particles. On annealing the electrodynamic degrees of freedom the field configuration converges to a solution of the Poisson equation much like the electronic degrees of freedom approach the ground state in ab initio molecular dynamics.     

Quadruply excited beryllium-like atoms – a semiclassical model

The semiclassical spectrum of quadruply highly excited four-electron atomic systems has been calculated for the plane model of equivalent electrons. The energy of the system consists of rotational and vibrational modes within the circular skeleton orbit approximation, as used in a previous calculation for the triply excited three-electron systems. The full dynamical analysis is carried out within the Hamiltonian theory, accounting for the inertial effects and the complete coupling between different degrees of freedom. Here we present numerical results for energy spectrum of the beryllium atom. The lifetimes of the semiclassical states are estimated via the corresponding Lyapunov exponents. The vibrational modes relative contribution to the energy levels rises with the degree of the Coulombic excitation.     

A priori tests of a stochastic mode reduction strategy

Several a priori tests of a systematic stochastic mode reduction procedure recently devised by the authors [Proc. Natl. Acad. Sci. 96 (1999) 14687; Commun. Pure Appl. Math. 54 (2001) 891] are developed here. In this procedure, reduced stochastic equations for a smaller collections of resolved variables are derived systematically for complex nonlinear systems with many degrees of freedom and a large collection of unresolved variables. While the above approach is mathematically rigorous in the limit when the ratio of correlation times between the resolved and the unresolved variables is arbitrary small, it is shown here on a systematic hierarchy of models that this ratio can be surprisingly big. Typically, the systematic reduced stochastic modeling yields quantitatively realistic dynamics for ratios as large as 1/2. The examples studied here vary from instructive stochastic triad models to prototype complex systems with many degrees of freedom utilizing the truncated Burgers–Hopf equations as a nonlinear heat bath. Systematic quantitative tests for the stochastic modeling procedure are developed here which involve the stationary distribution and the two-time correlations for the second and fourth moments including the resolved variables and the energy in the resolved variables. In an important illustrative example presented here, the nonlinear original system involves 102 degrees of freedom and the reduced stochastic model predicted by the theory for two resolved variables involves both nonlinear interaction and multiplicative noises. Even for large value of the correlation time ratio of the order of 1/2, the reduced stochastic model with two degrees of freedom captures the essentially nonlinear and non-Gaussian statistics of the original nonlinear systems with 102 modes extremely well. Furthermore, it is shown here that the standard regression fitting of the second-order correlations alone fails to reproduce the nonlinear stochastic dynamics in this example.     

Dynamic analysis of periodic structures

The natural vibration analysis of a periodic structure with repeated identical substructures may be simplified by using some symmetrical properties of the substructure dynamic matrices, resulting in a set of linear difference equations in the displacements. These equations are readily solved for cyclic symmetric systems, simply supported systems and infinite systems. The order of the overall frequency equations is at most equal to one half of the total number of degrees of freedom retained for a single substructure regardless of the number of substructures in the system. With these natural modes, the system with general boundary conditions at end stations is analyzed by a fast converging method.     

The molecular vibration-rotation Hamiltonian in the Bargmann-Hilbert space

The molecular vibration-rotation Hamiltonian of polyatomic molecules is developed in the Bargmann-Hilbert space of entire functions. The vibration-rotation eigenvectors of polyatomic molecules are described as polynomials in complex variables where the number of complex variables is equal to the number of degrees of freedom of the molecule. Simple differential operator representations are found for all rotational and vibrational operators. A special procedure is developed, in the new representation, for describing the direction cosine operators of a rigid symmetric rotor.The new basis of molecular states is shown to be very convenient for calculating energy or intensity perturbations of molecules with axial symmetry. The theoretical methods include a treatment of doubly degenerate modes of vibration.