Electronic-enthalpy functional for finite systems under pressure

We introduce the notion of electronic enthalpy for first-principles structural and dynamical calculations of finite systems under pressure. An external pressure field is allowed to act directly on the electronic structure of the system studied via the ground-state minimization of the functional E+PV(q), where V(q) is the quantum volume enclosed by a charge isosurface. The Hellmann-Feynman theorem applies, and assures that the ionic equations of motion follow an isoenthalpic dynamics. No pressurizing medium is explicitly required, while coatings of environmental ions or ligands can be introduced if chemically relevant. We apply this novel approach to the study of group-IV nanoparticles during a shock wave, highlighting the significant differences in the plastic or elastic response of the diamond cage under load, and their potential use as novel nanostructured impact-absorbing materials.     

The nonequilibrium Lorentz gas

We study the conductivity of a Lorentz gas system, composed of a regular array of fixed scatterers and a point-like moving particle, as a function of the strength of an applied external field. In order to obtain a nonequilibrium stationary state, the speed of the point particle is fixed by the action of a Gaussian thermostat. For small fields the system is ergodic and the diffusion coefficient is well defined. We show that in this range the Periodic Orbit Expansion can be successfully applied to compute the values of the thermodynamic variables. At larger values of the field we observe a variety of possible dynamics, including the breakdown of ergodic behavior, and later the existence of a single stable trajectory for the largest fields. We also study the behavior of the system as a function of the orientation of the array of scatterers with respect to the external field. Finally, we present a detailed dynamical study of the transitions in the bifurcation sequence in both the elementary cell and the fundamental domain. The consequences of this behavior for the ergodicity of the system are explored. (c) 1995 American Institute of Physics.     

随机外磁场对一维Blume-Capel模型动力学性质的影响

近几十年来,量子自旋系统的动力学性质引起了人们的广泛关注,随着研究的不断深入,随机自旋系统的性质受到了人们的重视. 利用递推关系式方法研究了高温极限下随机外磁场中自旋s=1的一维Blume-Capel模型的动力学性质, 通过计算自旋自关联函数和相应的谱密度,探讨了外场对系统动力学行为的影响.研究表明,在无晶格场的情况下, 当外场满足双模分布时,系统的动力学性质存在从中心峰值行为到集体模行为的交跨效应.当外场满足Gauss分布, 标准偏差较小时,系统也存在交跨效应;标准偏差足够大时,系统只表现为无序行为. 另外还研究了晶格场对系统动力学性质的影响,发现晶格场的存在减弱了系统的集体模行为.     

Ultrasoft colloids in cavities of oscillating size or sharpness

We employ dynamical density functional theory (DDFT) and Brownian Dynamics (BD) simulations to examine the fully developed dynamics of ultrasoft colloids interacting via a Gaussian pair potential in time-dependent external fields. The DDFT formalism employed is that of Marconi and Tarazona [J. Chem. Phys., 110, 8032 (1999)], which allows for determination of the time-dependent density profile based on knowledge of the static, equilibrium density functional. Three different dynamical situations are examined: firstly, the behaviour of Gaussian particles in a spherical cavity of oscillating size, including both sudden and continuous changes in the size of the cavity. Secondly, a spherical cavity with a fixed size but varying sharpness. Finally, to investigate a strong inhomogeneity in the density profile we study the diffusion of one layer of particles which is initially strongly confined and separated from the remaining system via an external potential. In all cases, DDFT is in excellent agreement with BD results, demonstrating the applicability of the theory to dynamical problems involving overdamped interacting particles in a solvent.     

Zero field Wigner crystal

A candidate for the insulating phase of the 2D electron gas, seen in high mobility 2D MOSFETS and heterojunctions, is a Wigner crystal pinned by the incipient disorder. With this in view, we study the effect of collective pinning on the physical properties of the crystal formed in zero external magnetic field. We use an elastic theory to describe to long wavelength modes of the crystal. The disorder is treated using the standard Gaussian variational method. We calculate various physical properties of the system with particular emphasis on their density dependence. We revisit the problem of compressibility in this system and present results for the compressibility obtained via effective capacitance measurements in experiments using bilayers. We present results for the dynamical conductivity, surface acoustic wave anomalies and the power radiated by the crystal through phonon emission at finite temperatures.     

Effects of non-Gaussian noise on the dynamical properties of a logistic system

The dynamical properties of a tumor cell growth system described by the logistic system with coupling between non- Gaussian and Gaussian noise terms are investigated. The effects of the nonextensive index q on the stationary properties and the transient properties are discussed, respectively. The results show that the nonextensive index q can induce the tumor cell numbers to decrease greatly in the case of q 〉 1. Moreover, the switch from the steady stable state to the extinct state is speeded up as the increases of q, and the tumor cell numbers can be more obviously restrained for a large value of q. The numerical results are found to be in basic agreement with the theoretical predictions.     

随机参激和外激联合作用下非线性动力系统的路径积分解

将基于Gauss Legendre公式的路径积分法推广到随机参激和外激联合作用的非线性动力系统.研究了受高斯白噪声参激和外激联合作用的非线性振子，将所得路径积分解与其精确解（满足一定条件时该系统存在精确解）或Monte Carlo随机模拟结果相比较，充分验证了路径积分的准确性.并借助路径积分数值解，捕捉到该随机系统的一维P分岔. 关键词： 路径积分 P分岔 随机参激 随机外激     

Dynamics of the Driven Jaynes-Cummings Model

We study the dynamical features of the Jaynes-Cummings model with the atomdriven by an external classical field in the case that the cavity field is initially in a Fock state.We find the dynamical variables by using dressed states in the bare atom representation. Weshow that the dynamical behavior of the cavity field can be strongly modified by the externalclassical field. We also find that the cavity field is super-Poissonian after some interaction timeif the external field is strong enough.     

Transverse effects in photorefractive two-wave mixing

In a biased photorefractive crystal, the process of two one-dimensional waves mixing, i.e., the dynamical evolution of both pump beam and signal beam, is traced by numerically solving the coupled-wave equation. Direct simulations show that the propagation and stability of the two beams are completely determined by the system parameters, such as the external bias field, the intensity and the beam waist of the pump beam. By adjusting these parameters, one can control the state of two Gaussian waves mixing. The numerical results are helpful for performing a two-wave mixing experiment.     

动态外场作用下Ising自旋体系的非平衡动态相变

系统地考察了Ising自旋体系的动力学方程对三种不同性质的驱动外场（正弦波 、方波和锯齿波）的动态响应及其相应的非平衡动态相变特征.在正弦波和方波的驱动场 作用下，体系存在分别对应于低温对称破缺的铁磁有序态和高温对称顺磁无序态的动态非平衡转变，相应的动态转变相界上存在区分连续转变和非连续转变的三临界点；而锯齿波驱动 场情形下体系始终维持对称性破缺的有序态.体系动态转变表现出的上述差异与作用外场的驱动特征有关.确定了表征相应动态相变相界的临界驱动外场振幅h0C和频率 ωc、体系的温度tc, 并给予了分析讨论 关键词： Ising自旋体系 非平衡动态相变 对称性 平均场     

Dynamical group model of a spin density wave system

We obtain the dynamical group for a mean field quasi-one-dimensional model of an interacting many electron system exhibiting spin density waves. The corresponding Lie algebra is a sub-algebra of su(8); we use it to obtain the spectrum and define the corresponding order parameters. The algebraic treatment is extended to cover the presence of an external magnetic field.     

Liouville and Fokker–Planck dynamics for classical plasmas and radiation

We consider a nonequilibrium statistical system formed by many classical non‐relativistic particles of opposite electric charges (plasma) and by the classical dynamical electromagnetic (EM) field. The charges interact with one another directly through instantaneous Coulomb potentials and with the dynamical degrees of freedom of the transverse EM field. The system may also be subject to external influences of: i) either static, but spatially inhomogeneous, electric and magnetic fields (case 1)), or ii) weak distributions of electric charges and currents (case 2)). The particles and the dynamical EM field are described, for any time t > 0, by the classical phase‐space probability distribution functional (CPSPDF) f and, at the initial time (t = 0), by the initial CPSPDF f_in. The CPSPDF f and f_in, multiplied by suitable Hermite polynomials (for particles and field) and integrated over all canonical momenta, yield new moments. The Liouville equation and f_in imply a new nonequilibrium linear infinite hierarchy for the moments. In case 1), f_in describes local equilibrium but global nonequilibrium, and we propose a long‐time approximation in the hierarchy, which introduces irreversibility and relaxation towards global thermal equilibrium. In case 2), the statistical system, having been at global thermal equilibrium, without external influences, for t ≤ 0, is subject to weak external charge‐current distributions: then, new hierarchies for moments and their long‐time behaviours are discussed in outline. As examples, approximate mean‐field (Vlasov) approximations are treated for both cases 1) and 2).     

On the dynamic mean field theory of spin glasses

We derive in detail Sompolinsky's mean field theory of spin glasses using a diagram expansion of the effective local Langevin equation of Sompolinsky and Zippelius. We use a simpler generating functional than in the literature, on which the quenched average is very easily done. We pay special attention to the existence of an external field. We show that there are two different types of singularities for ω=0 in the equations. The first type, which leads to Parisi'sq(0), is connected with the local magnetisation. The second type, which leads toq′(x), is connected with the nonergodic behaviour. We show that the continuous limit of discrete Sompolinsky solutions has to be taken in order to be in accordance with the fluctuation dissipation theorem on infinite time scales. We discuss carefully the question of dynamical stability. We show that Sommers' solution is unstable only on an infinite time scale and thus remains an acceptable equilibrium theory with a broken symmetry. We argue that for ω=0 a formal violation of the fluctuation dissipation theorem is physically expected if the relaxation times are of the order of the switching time of the external field. From this point of view the spin-glass state is a steady state but not a real equilibrium state.     

The Nosé–Hoover Thermostated Lorentz Gas

We apply the Nosé–Hoover thermostat and three variations of it, which control different combinations of velocity moments, to the periodic Lorentz gas. Switching on an external electric field leads to nonequilibrium steady states for the four models. By performing computer simulations we study the probability density, the conductivity and the attractor in nonequilibrium. The results are compared to the Gaussian thermostated Lorentz gas and to the Lorentz gas as thermostated by deterministic scattering. We find that slight modifications of the Nosé–Hoover thermostat lead to different dynamical properties of our models. However, in all cases the attractor appears to be multifractal.     

Optically driven Mott‐Hubbard systems out of thermodynamic equilibrium

We consider the Hubbard model at half filling, driven by an external, stationary laser field. This stationary, but periodic in time, electromagnetic field couples to the charge current, i.e. it induces an extra contribution to the hopping amplitude in the Hubbard Hamiltonian (photo‐induced hopping). We generalize the dynamical mean‐field theory (DMFT) for nonequilibrium with periodic‐in‐time external fields, using a Floquet mode representation and the Keldysh formalism. We calculate the non‐equilibrium electron distribution function, the density of states and the optical DC conductivity in the presence of the external laser field for laser frequencies above and below the Mott‐Hubbard gap. The results demonstrate that the system exhibits an insulator‐metal transition as the frequency of the external field is increased and exceeds the Mott‐Hubbard gap. This corresponds to photo‐induced excitations into the upper Hubbard band.     

Exact edge singularities and dynamical correlations in spin-1/2 chains

Exact formulas for the singularities of the dynamical structure factor, Szz(q,omega), of the S=1/2 xxz spin chain at all q and any anisotropy and magnetic field in the critical regime are derived, expressing the exponents in terms of the phase shifts which are known exactly from the Bethe ansatz solution. We also study the long-time asymptotics of the self-correlation function 0|Sjz(t)Sjz(0)|0. Utilizing these results to supplement very accurate time-dependent density matrix renormalization group, for short to moderate times, we calculate Szz(q,omega) to very high precision.     

Dynamics of 2-D one electron quantum dots in pulsed field: Influence of size

We explore the dynamics of harmonically confined single electron quantum dots as a function of dot size when an external time varying pulsed electric field is switched on. The system of interest is a 2-D system in the presence of a perpendicular magnetic field. We show that for given strengths of the confining potentials, the pattern of time evolution of eigenstates of the unperturbed system reveals significant size-dependence. The pulse duration time is also found to modulate the dynamical aspects in a prominent way.     

Quantum phase transition in an antiferromagnetic spinor Bose-Einstein condensate

We have experimentally observed the dynamics of an antiferromagnetic sodium Bose-Einstein condensate quenched through a quantum phase transition. Using an off-resonant microwave field coupling the F = 1 and F = 2 atomic hyperfine levels, we rapidly switched the quadratic energy shift q from positive to negative values. At q = 0, the system undergoes a transition from a polar to antiferromagnetic phase. We measured the dynamical evolution of the population in the F = 1, mF = 0 state in the vicinity of this transition point and observed a mixed state of all 3 hyperfine components for q < 0. We also observed the coarsening dynamics of the instability for q < 0, as it nucleated small domains that grew to the axial size of the cloud.     

Applications of the Dotsenko-Fateev integral in random-matrix models

The characteristic multi-dimensional integrals that represent physical quantities in random-matrix models, when calculated within the supersymmetry method, can be related to a class of integrals introduced in the context of two-dimensional conformal field theories by Dotsenko and Fateev. Known results on these Dotsenko-Fateev integrals provide a means by which to perform explicit calculations (otherwise difficult) in random-matrix theory. We illustrate this by (i) an evaluation of the mean squared S-matrix elements for the Gaussian orthogonal ensemble coupled with M external channels, and (ii) a direct derivation of the asymptotic behaviour of the dynamical density-density cotrelator in the limit of large spatial and temporal separation for the Calogero-Sutherland model which, at certain couplings, is known to map onto the parameter-dependent random-matrix ensembles.     

On Epistemics in Expected Free Energy for Linear Gaussian State Space Models

Active Inference (AIF) is a framework that can be used both to describe information processing in naturally intelligent systems, such as the human brain, and to design synthetic intelligent systems (agents). In this paper we show that Expected Free Energy (EFE) minimisation, a core feature of the framework, does not lead to purposeful explorative behaviour in linear Gaussian dynamical systems. We provide a simple proof that, due to the specific construction used for the EFE, the terms responsible for the exploratory (epistemic) drive become constant in the case of linear Gaussian systems. This renders AIF equivalent to KL control. From a theoretical point of view this is an interesting result since it is generally assumed that EFE minimisation will always introduce an exploratory drive in AIF agents. While the full EFE objective does not lead to exploration in linear Gaussian dynamical systems, the principles of its construction can still be used to design objectives that include an epistemic drive. We provide an in-depth analysis of the mechanics behind the epistemic drive of AIF agents and show how to design objectives for linear Gaussian dynamical systems that do include an epistemic drive. Concretely, we show that focusing solely on epistemics and dispensing with goal-directed terms leads to a form of maximum entropy exploration that is heavily dependent on the type of control signals driving the system. Additive controls do not permit such exploration. From a practical point of view this is an important result since linear Gaussian dynamical systems with additive controls are an extensively used model class, encompassing for instance Linear Quadratic Gaussian controllers. On the other hand, linear Gaussian dynamical systems driven by multiplicative controls such as switching transition matrices do permit an exploratory drive.