Microscopic theory of intrinsic shear and bulk viscosities

A microscopic theory of intrinsic shear and bulk viscosities of solutions is given for a model of particles that interact with hard-sphere cores and weak longrange attraction. The approximation considered (the velocity chaos assumption of the Enskog theory) can be expected to yield quantitatively useful values for viscosities of the model solute-solvent system when the solute particles are not much larger than the solvent particles. Under solute-solvent mixing conditions of constant pressure and temperature we find that the intrinsic viscosities of a hard-sphere solute in a hard-sphere solvent can be positive or negative, depending upon size and mass ratios; for solute and solvent particles whose mass ratio equals their volume ratio, the intrinsic shear and bulk viscosities are always positive for solute particles larger than solvent particles: in the opposite case, the intrinsic shear viscosity is always negative while the intrinsic bulk viscosity is for the most part negative, becoming positive again when the solute particle is sufficiently small. For solute particles smaller than solvent particles, this result is sensitive to change in mass ratio. The addition of solvent-solvent attraction is found to lower the intrinsic viscosities substantially; the addition of solute-solvent attraction raises it. Detailed quantitative analysis of these effects is given.     

Numerical investigation of the effects of classical phase space structure on a quantum system with decoherence

We present a detailed numerical study of a chaotic classical system and its quantum counterpart. The system is a special case of a kicked rotor and for certain parameter values possesses cantori dividing chaotic regions of the classical phase space. We investigate the diffusion of particles through a cantorus. A quantum analysis confirms that the cantori act as barriers. We numerically estimate the classical phase space flux through the cantorus per kick and relate this quantity to the behavior of the quantum system. We introduce decoherence via environmental interactions with the quantum system and observe the subsequent increase in the transport of quantum particles through the boundary.     

Friction due to inhomogeneous driving of coupled spins in a quantum heat engine

We consider two spin-1/2 particles with isotropic Heisenberg interaction, as the working substance of a quantum heat engine. We observe a frictional effect on the adiabatic branches of the heat cycle, which arises due to an inhomogeneous driving at a finite rate of the external magnetic field. The frictional effect is characterized by entropy production in the system and reduction in the work extracted. Corresponding to a sudden and a very slow driving, we find expressions for the lower and upper bounds of work that can be extracted on the adiabatic branches. These bounds are also confirmed with numerical simulations of the corresponding Liouville-von Neumann equation.     

Traffic of indistinguishable particles in complex networks

In this paper, we apply a simple walk mechanism to the study of the traffic of many indistinguishable particles in complex networks. The network with particles stands for a particle system, and every vertex in the network stands for a quantum state with the corresponding energy determined by the vertex degree. Although the particles are indistinguishable, the quantum states can be distinguished. When the many indistinguishable particles walk randomly in the system for a long enough time and the system reaches dynamic equilibrium, we find that under different restrictive conditions the particle distributions satisfy different forms, including the Bose--Einstein distribution, the Fermi--Dirac distribution and the non-Fermi distribution (as we temporarily call it). As for the Bose--Einstein distribution, we find that only if the particle density is larger than zero, with increasing particle density, do more and more particles condense in the lowest energy level. While the particle density is very low, the particle distribution transforms from the quantum statistical form to the classically statistical form, i.e., transforms from the Bose distribution or the Fermi distribution to the Boltzmann distribution. The numerical results fit well with the analytical predictions.     

Ergodic Properties for a Quantum Nonlinear Dynamics

We present a quantum system composed of infinitely many particles, subject to a nonquadratic Hamiltonian, for which it is possible to investigate the long time behavior of the dynamics and its ergodic properties. We do so both for the KMS states and for a large class of locally normal invariant states, whose very existence is already of some interest.     

Entanglement entropy in fermionic Laughlin states

We present analytic and numerical calculations on the bipartite entanglement entropy in fractional quantum Hall states of the fermionic Laughlin sequence. The partitioning of the system is done both by dividing Landau-level orbitals and by grouping the fermions themselves. For the case of orbital partitioning, our results can be related to spatial partitioning, enabling us to extract a topological quantity (the "total quantum dimension") characterizing the Laughlin states. For particle partitioning we prove a very close upper bound for the entanglement entropy of a subset of the particles with the rest, and provide an interpretation in terms of exclusion statistics.     

Solutions to a reduced Poisson-Nernst-Planck system and determination of reaction rates

We study a reduced Poisson-Nernst-Planck (PNP) system for a charged spherical solute immersed in a solvent with multiple ionic or molecular species that are electrostatically neutralized in the far field. Some of these species are assumed to be in equilibrium. The concentrations of such species are described by the Boltzmann distributions that are further linearized. Others are assumed to be reactive, meaning that their concentrations vanish when in contact with the charged solute. We present both semi-analytical solutions and numerical iterative solutions to the underlying reduced PNP system, and calculate the reaction rate for the reactive species. We give a rigorous analysis on the convergence of our simple iteration algorithm. Our numerical results show the strong dependence of the reaction rates of the reactive species on the magnitude of its far field concentration as well as on the ionic strength of all the chemical species. We also find non-monotonicity of electrostatic potential in certain parameter regimes. The results for the reactive system and those for the non-reactive system are compared to show the significant differences between the two cases. Our approach provides a means of solving a PNP system which in general does not have a closed-form solution even with a special geometrical symmetry. Our findings can also be used to test other numerical methods in large-scale computational modeling of electro-diffusion in biological systems.     

Quantum Lyapunov Exponents

We show that it is possible to associate univocally with each given solution of the time-dependent Schrödinger equation a particular phase flow (quantum flow) of a non-autonomous dynamical system. This fact allows us to introduce a definition of chaos in quantum dynamics (quantum chaos), which is based on the classical theory of chaos in dynamical systems. In such a way we can introduce quantities which may be appelled quantum Lyapunov exponents. Our approach applies to a non-relativistic quantum-mechanical system of n charged particles; in the present work numerical calculations are performed only for the hydrogen atom. In the computation of the trajectories we first neglect the spin contribution to chaos, then we consider the spin effects in quantum chaos. We show how the quantum Lyapunov exponents can be evaluated and give several numerical results which describe some properties found in the present approach. Although the system is very simple and the classical counterpart is regular, the most non-stationary solutions of the corresponding Schrödinger equation are chaotic according to our definition.     

Resonant Photon-Assisted Structure of Conductance through a Quantum Wire

We investigate theoretically the electron transport properties of a two-sublevel quantum wire irradiated by a strong laser field resonant with the quasiparticle transition at low temperatures. Using the method of the Keldysh equation of motion for nonequilibrium Green function, we examine the time-averaged conductance for the system with photon polarization parallel and perpendicular to the tunnelling current direction, respectively. We demonstrate that, by analysing some numerical examples, a feature of absolute negative conductance appears in the parallel case, while the conductance shows a symmetry distributed peaks in the Derpendicular case.     

Monte Carlo Study of Localization on a One-Dimensional Lattice

We study the equilibrium properties of a single quantum particle interacting with a classical lattice gas. We develop a path-integral formalism in which the quantum particle is represented by a closed, variable-step random walk on the lattice. After demonstrating that a Metropolis algorithm correctly predicts the properties of a free particle, we extend it to investigate the behavior of the quantum particle interacting with the lattice gas. Evidence of weak localization is observed under conditions of quenched disorder, while self-trapping clearly occurs for the fully annealed system. Compared with continuous space systems, convergence of Monte Carlo simulations in this minimum model is orders of magnitude faster in cpu time. Therefore the system behavior can be investigated for a much larger domain of thermodynamic parameters (e.g., density and temperature) in a reasonable time.     

计算平均力势的理论方法

提出了一个用于计算平均力势的普适性的理论框架,方法克服了以前的方法的缺陷,仅仅需要溶剂粒子在单个溶质粒子附近的密度分布作为输入.计算了两个大尺寸溶质粒子浸在小尺寸硬球溶剂浴中的平均力势,理论预言与可能的模拟数据符合.调查了溶剂-溶质相互作用势、溶剂密度、溶质粒子尺寸对过量平均力势的影响.结论是:溶剂粒子在单个溶质粒子附近的减少导致吸引的过量平均力势,而溶剂粒子在单个溶质粒子附近的聚集导致排斥的过量平均力势,高溶剂密度与大溶质粒子尺寸能强化这种趋势.讨论了这种空耗吸引-聚集排斥与生物学中的疏水吸引-水化排斥的联系.     

Quantum Transfer Energy and Nonlocal Correlation in a Dimer with Time-Dependent Coupling Effect

The presence of coherence phenomenon due to the interference of probability amplitude terms, is one of the most important features of quantum mechanics theory. Recent experiments show the presence of quantum processes whose coherence provided over suddenly large interval-time. In particular, photosynthetic mechanisms in light-harvesting complexes provide oscillatory behaviors in quantum mechanics due to quantum coherence. In this work, we investigate the coherent quantum transfer energy for a single-excitation and nonlocal correlation in a dimer system modelled by a two-level atom system with and without time-dependent coupling effect. We analyze and explore the required conditions that are feasible with real experimental realization for optimal transfer of quantum energy and generation of nonlocal quantum correlation. We show that the enhancement of the probability for a single-excitation transfer energy is greatly benefits from the combination of the energy detuning and time-dependent coupling effect. We investigate the presence of quantum correlations in the dimer using the entanglement of formation. We also find that the entanglement between the donor and acceptor is very sensitive to the physical parameters and it can be generated during the coherent energy transfer. On the other hand, we study the dynamical behavior of the quantum variance when performing a measurement on an observable of the density matrix operator. Finally, an interesting relationship between the transfer probability, entanglement and quantum variance is explored during the time evolution in terms of the physical parameters.     

压缩真空态中原子与场的量子纠缠和量子discord

在压缩真空库中,研究了原子与场的相互作用下二比特体系的量子discord和量子纠缠的动力学行为.重点分析了原子的初始态系数和压缩真空库的压缩系数对量子纠缠和量子discord的影响.通过数值分析我们得到,随着原子的初始态系数和压缩真空库的压缩系数值的增加,量子纠缠和量子discord都会减小,但量子纠缠比量子discord减小的更快一些.最后研究了在原子的初始态系数和压缩真空库的压缩系数的值相同的情况下,量子discord比量子纠缠存在的时间更长些.     

二能级原子与多模光场简并多光子共振相互作用系统中量子保真度的演化特性

利用全量子理论和数值计算方法研究了多模相干态光场与单个二能级原子通过任意N_j度简并N~∑光子共振相互作用系统中量子保真度的时间演化特性,给出了三模场与原子相互作用过程中光场和原子保真度的数值计算结果,详细讨论了初始平均光子数、原子分布角、原子偶极相位角、光场激发角以及原子简并度等对量子保真度的影响.数值计算结果表明:以上诸多因素对量子保真度影响的结果均导致其发生振荡性变化.光场和原子保真度随着初始光场增强而急剧减小,说明初始光强敏感地影响着保真度的大小;量子保真度的变化快慢程度强烈地依赖于原子简并度及场一原子的耦合系数;原子分布角、光场激发角不同程度地对量子保真度的大小和频率有所影响;而原子偶极相位角的变化对场和原子的量子保真度几乎没有影响.根据这些特性,通过某些条件的约束可以适当控制保真度变化的快慢及其大小.     

双层Heisenberg反铁磁体中的量子相变

用键算符平均场方法研究了双层正方格子Heisenberg反铁磁体中的量子相变问题.得到的临界点以及低温下的量子临界行为符合相关的数值计算结果和非线性σ模型的结果.在数值计算不能达到的极低温度范围（T≤0.3J₁,J₁为面内最近邻反铁磁交换作用）,给出了量子临界行为的新证据. 关键词：     

Pairwise Quantum Discord for a Symmetric Multi-Qubit System in Different Types of Noisy Channels

We study the pairwise quantum discord (QD) for a symmetric multi-qubit system in different types of noisy channels, such as phase-flip, amplitude damping, phase-damping, and depolarizing channels. Using the QD and geometric quantum discord (GMQD) to quantify quantum correlations, some analytical and numerical results are presented. The results show that, the QD dynamics is strongly related to the number of spin particles N as well as the initial parameter ?? of the one-axis twisting collective state. With the number of spin particles N increasing, the amount of the QD increases. However, when the amount of the QD arrives at a stable maximal value, the QD is independence of the number of spin particles N increasing. The behavior of the QD is symmetrical during a period 0 ≤ ?? ≤ 2π. Moreover, we compare the QD dynamics with the GMQD for a symmetric multi-qubit system in different types of noisy channels.     

An optimised molecular model for ammonia

Based on molecular dynamics (MD) computer simulations we investigate the dynamic behaviour of a model complex fluid suspension consisting of large (A) particles (the ‘solute’) immersed in a bath of smaller ‘solvent’ (B) particles. The goal is to identify the effect of systematic simplifications (coarse-graining) of the solvent on typical microscopic time correlation functions characterizing the single-particle and collective dynamics of the solute. As a reference system we employ a binary Lennard–Jones mixture of spherical particles with significant differences in particle sizes (σ_A>σ_B) and masses (m _A>m _B). We then replace the original B particles step by step by a reduced number of larger and heavier particles such that the mass and volume fraction of B particles is kept constant. At each step of coarse-graining, the intermolecular interactions between A particles are chosen such that the static A–A structure of the reference system is preserved. Our MD results indicate that coarse-graining has a profound influence on both the single-particle dynamics as reflected by the self-diffusion constant and the collective dynamics represented by the distinct part of the van Hove time correlation function. The latter holds only at intermediate packing fractions, whereas the collective dynamics turns out to be essentially insensitive to coarse-graining at high packing fractions.     

Optical bistability in a defect slab with a negative refractive quantum dot nanostructure

We demonstrate optical bistability (OB) in a defect slab doped V-type four-level InGaN/GaN quantum dot nanostructure in the negative refraction frequency band. It has been shown that the OB behavior of such a quantum dot nanostructure system can be controlled by the amplitude of the driving fields and a new parameter for controlling the OB behavior as thickness of the slab medium in the negative refraction band. Meanwhile, we show that the negative refraction frequency band can be controlled by tuning electric permittivity and magnetic permeability by the amplitude of the driving fields and electron concentration in the defect slab doped. Under the numerical simulations, due to the effect of quantum coherence and interference, it is possible to switch bistability by adjusting the optimal conditions in the negative refraction frequency band, which is more practical in all-optical switching or coding elements, and technology based nanoscale devices.