基于量子修正的石墨烯纳米带热导率分子动力学表征方法

本文提出了基于量子修正的非平衡态分子动力学模型,可用于石墨烯纳米带热导率的表征.利用该模型对不同温度下,不同手性及宽度的石墨烯纳米带热导率进行了研究,结果发现:相较于经典分子动力学模型给出的热导率随温度升高而单调下降的结论,在低于Debye温度的情况下,量子修正模型的计算结果出现了反常现象.本文研究还发现,石墨烯纳米带的热导率呈现出明显的边缘效应及尺度效应:锯齿型石墨烯纳米带的热导率明显高于扶手椅型石墨烯纳米带;全温段的热导率及热导率在低温段随温度变化的斜率均随宽度的增加而增大.最后,文章用Boltzmann声子散射理论对低温段的温度效应及尺度效应进行了阐释,其理论分析结果说明文章所建模型适合在全温段范围内对不同宽度和不同手性的热导率进行精确计算,可为石墨烯纳米带在传热散热领域的应用提供理论计算和分析依据.     

Coherent photogalvanic valley Hall effect

The theory of the coherent photogalvanic valley Hall effect in two-dimensional systems with the Dirac spectrum of charge carriers is formulated. The study deals with a two-dimensional sample irradiated by two electromagnetic waves, at the fundamental and doubled frequencies. Both frequencies exceed the band gap of the material, whereas the wave with the fundamental frequency having circular polarization and a high intensity is taken into account in a nonperturbative manner. The wave at the doubled frequency is linearly polarized and the electrical conductivity of the two-dimensional system is calculated with respect to it. The effect under study manifests itself as the dc Hall current in the direction orthogonal to the electric field of the weak electromagnetic wave. It is assumed that, in equilibrium, the sample is in the insulating state with the completely occupied valence band and empty conduction band. The strong electromagnetic wave induces a nonequilibrium filling of the bands and the system passes to a strongly nonequilibrium steady state. The behavior of the Hall current in the case of nonequilibrium distribution functions is analyzed both including and disregarding the intraband relaxation and interband recombination.     

一维二元非对角关联无序体系跳跃电导特性

在单电子紧束缚无序模型基础上，建立了一维二元关联无序体系电子跳跃输运直流电导模型，并推导了其直流电导公式，通过计算其直流电导率，探讨了格点能量无序度、非对角关联及温度、外场对体系跳跃电导的影响.计算结果表明，一维二元无序体系的直流电导率随着格点能量无序度的增大而减小；当引入非对角关联时，体系出现退局域化现象，从而使体系的直流电导率增大；温度对体系的电子输运的影响表现为体系的直流电导率随温度的升高而增大；在外加电场的调制下，体系的直流电导率在强场区随电场强度增加而增长很快，呈现出非欧姆定律特性，但在弱场区外场的作用不明显. 关键词： 二元无序体系 跳跃电导 格点能量无序度 非对角关联     

准一维多链无序体系跳跃电导特性

在单电子紧束缚近似下,建立了准一维多链无序体系直流、交流电子跳跃输运模型,通过计算探讨了无序模式、维度效应、温度及外场对其直流、交流电导率的影响.计算结果表明:准一维多链无序体系的直流、交流电导率随着格点能量无序度的增大而减小,非对角无序具有增强体系电子输运能力的作用.随着链数的增加,体系的直流、交流电导率增大,但格点能量无序度较小时,维度效应的影响不明显.在对角无序情况下准一维多链无序体系的交流电导率随温度的升高而增大,而在非对角无序模式下却随温度的升高而减小,但对于直流情况,体系的直流电导率随温度的升     

Viscosity,heat conductivity,and Prandtl number effects in the Rayleigh–Taylor Instability

The two-dimensional Rayleigh–Taylor instability problem is simulated with a multiple-relaxation-time discrete Boltzmann model with a gravity term. Viscosity, heat conductivity, and Prandtl number effects are probed from macroscopic and nonequilibrium viewpoints. In the macro sense, both viscosity and heat conduction show a significant inhibitory effect in the reacceleration stage, which is mainly achieved by inhibiting the development of the Kelvin–Helmholtz instability. Before this, the Prandtl number effect is not sensitive. Viscosity, heat conductivity, and Prandtl number effects on nonequilibrium manifestations and the degree of correlation between the nonuniformity and the nonequilibrium strength in the complex flow are systematically investigated.     

Direct current hopping conductance in one-dimensional diagonal disordered systems

Based on a tight-binding disordered model describing a single electron band, we establish a direct current (dc) electronic hopping transport conductance model of one-dimensional diagonal disordered systems, and also derive a dc conductance formula. By calculating the dc conductivity, the relationships between electric field and conductivity and between temperature and conductivity are analysed, and the role played by the degree of disorder in electronic transport is studied. The results indicate the conductivity of systems decreasing with the increase of the degree of disorder, characteristics of negative differential dependence of resistance on temperature at low temperatures in diagonal disordered systems, and the conductivity of systems decreasing with the increase of electric field, featuring the non-Ohm's law conductivity.     

Floquet spectrum and transport through an irradiated graphene ribbon

Graphene subject to a spatially uniform, circularly polarized electric field supports a Floquet spectrum with properties akin to those of a topological insulator. The transport properties of this system, however, are complicated by the nonequilibrium occupations of the Floquet states. We address this by considering transport in a two-terminal ribbon geometry for which the leads have well-defined chemical potentials, with an irradiated central scattering region. We demonstrate the presence of edge states, which for infinite mass boundary conditions may be associated with only one of the two valleys. At low frequencies, the bulk dc conductivity near zero energy is shown to be dominated by a series of states with very narrow anticrossings, leading to superdiffusive behavior. For very long ribbons, a ballistic regime emerges in which edge state transport dominates.     

含成层杂质的复合媒质的电导性质

本文用瑞利模型研究含成层杂质的复合媒质的直流电导性质,推导了适用于此类复合媒质的广义瑞利恒等式,并定义系统的有效电导率。对于具有立方对称性的系统,给出复合媒质有效电导率的解析计算公式。 关键词：     

Spontaneous transverse field in impurity graphene

The periodic Anderson model and the average electron method are used to show that an electric field normal to an applied dc electric field can spontaneously appear in impurity-containing graphene. This effect can be related to a nonequilibrium electron subsystem in graphene. The characteristics of the spontaneous field are revealed as a function of the problem parameters.     

Hydrodynamic and Thermodynamic Nonequilibrium Effects around Shock Waves: Based on a Discrete Boltzmann Method

A shock wave that is characterized by sharp physical gradients always draws the medium out of equilibrium. In this work, both hydrodynamic and thermodynamic nonequilibrium effects around the shock wave are investigated using a discrete Boltzmann model. Via Chapman–Enskog analysis, the local equilibrium and nonequilibrium velocity distribution functions in one-, two-, and three-dimensional velocity space are recovered across the shock wave. Besides, the absolute and relative deviation degrees are defined in order to describe the departure of the fluid system from the equilibrium state. The local and global nonequilibrium effects, nonorganized energy, and nonorganized energy flux are also investigated. Moreover, the impacts of the relaxation frequency, Mach number, thermal conductivity, viscosity, and the specific heat ratio on the nonequilibrium behaviours around shock waves are studied. This work is helpful for a deeper understanding of the fine structures of shock wave and nonequilibrium statistical mechanics.     

Effect of the nuclear hyperfine field on the 2D electron conductivity in the quantum Hall regime

The effect of the nuclear hyperfine interaction on the dc conductivity of 2D electrons under quantum Hall effect conditions at filling factor ν=1 is observed for the first time. The local hyperfine field enhanced by dynamic nuclear polarization is monitored via the Overhauser shift of the 2D conduction electron spin resonance in AlGaAs/GaAs multiquantum-well samples. The experimentally observed change in the dc conductivity resulting from dynamic nuclear polarization is in agreement with a thermal activation model incorporating the Zeeman energy change due to the hyperfine interaction. The relaxation decay time of the dc conductivity is, within experimental error, the same as the relaxation time of the nuclear spin polarization determined from the Overhauser shift. These findings unequivocally establish the nuclear spin origins of the observed conductivity change. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 1, 58–63 (10 January 1999) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Damping of Bloch oscillations in the Hubbard model

Using nonequilibrium dynamical mean-field theory, we study the isolated Hubbard model in a static electric field in the limit of weak interactions. Linear response behavior is established at long times, but only if the interaction exceeds a critical value, below which the system exhibits an ac-type response with Bloch oscillations. The transition from ac to dc response is defined in terms of the universal long-time behavior of the system, which does not depend on the initial condition.     

Frequency- and bias-dependent ac conductivity of charge-density waves in TaS3

The charge-density wave contribution to the dc and the small-signal ac conductivity of orthorhombic TaS₃ has been completely characterized for a single crystal. The ac conductivity is found to be independent of dc bias below threshold. The tunneling theory of charge-density wave depinning successfully predicts the real and imaginary parts of the ac conductivity as functions of both frequency and applied dc bias, using only a fit to the dc I–V data and one adjustable parameter.     

Dynamic conductance of carbon nanotubes

The dynamic conductance of carbon nanotubes was investigated using the nonequilibrium Green's function formalism within the context of a tight-binding model. Specifically, we have studied the ac response of tubes of different helicities, both with and without defects, and an electronic heterojunction. Because of the induced displacement currents, the dynamic conductance of the nanotubes differs significantly from the dc conductance displaying both capacitive and inductive responses. The important role of photon-assisted transport through nanotubes is revealed and its implications for experiments discussed.     

Calculations of the parameters of the air plasma produced by an electron beam in the channel of an MHD generator with a nonequilibrium conductivity

Approximate analytic expressions for calculating the electron density in both steady and unsteady plasmas produced by pulsed electron beams are derived and proved to agree well with numerical calculations. It is shown that the algorithm for calculating the parameters of a nonequilibrium plasma in the channel of an MHD plasma generator depends on the type of generator. The effect of the magnetic field strength on the electron density and electric conductivity of the air plasma produced by an electron beam in the channel of a Faraday MHD generator is investigated. The influence of the parameters of the flow and ionizer on the efficiency of an MHD generator with a nonequilibrium conductivity is analyzed.     

Thermal Conductivity of Three‐Dimensional Yukawa Liquids (Dusty Plasmas)

An improved method is proposed to investigate the behavior of a Yukawa liquid under the action of an external field strength using computer simulated nonequilibrium molecular dynamics. The thermal conductivity calculations with appropriate normalizations, in the limit of low value field strengths, are estimated over a wide range of the Coulomb coupling and screening strengths. The new simulations provide more reliable data for the thermal conductivity than the previously known results for the Yukawa liquids. The calculations show that the thermal conductivity is dependent on both the Coulomb coupling and screening parameters in the three‐dimensional (3D) Yukawa liquids. The low value field strength simulation data are found to obey the universal and quasiuniversal scaling. It is shown that the homogenous nonequilibrium method can be used to predict the thermal conductivity in Yukawa systems and to understand the fundamental features of 3D dusty plasma liquids (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Optical conductivity of a two-band superconductor

Within the two-band superconductor model, which is a generalization of the standard BCS model to the case of a complicated crystal structure, an expression has been obtained for the conductivity of the superconductor at an arbitrary frequency of the external electromagnetic field. This expression has been derived using the microscopic theory in the framework of the diagram technique for nonequilibrium processes. The σ(ω) dependencies calculated for T = 0 are compared with the results of single-band models with the s and d symmetries of the order parameter. It has been shown that the behavior of the optical conductivity as a function of the frequency depends strongly on the doping level.     

Substantiation of the two-temperature kinetic model by comparing calculations within the kinetic and fluid models of the positive column plasma of a dc oxygen discharge

Results from kinetic and fluid simulations of the positive column plasma of a dc oxygen discharge are compared using commercial CFDRC software (), which enables one to perform numerical simulations in an arbitrary 3D geometry with the use of both the fluid equations for all the components (fluid model) and the kinetic equation for the electron energy distribution function (kinetic model). It is shown that, for both the local and nonlocal regimes of the formation of the electron energy distribution function (EEDF), the non-Maxwellian EEDF can satisfactorily be approximated by two groups of electrons. This allows one to take into account kinetic effects within the conventional fluid model in the simplest way by using the proposed two-temperature approximation of the nonequilibrium and nonlocal EEDF (2T fluid model).     

一种模拟热导率的非平衡分子动力学方法

提出一种计算热导率的非平衡分子动力学(NEMD)方法,通过构造均匀内热源获得抛物线形温度分布,并基于Fourier导热定律计算热导率,与Müller-Plathe发展的反扰动非平衡分子动力学(RNEMD)方法相比,不仅具有能量动量守恒和收敛性好的优点,还克服了常规NEMD方法中热冷源区域存在局域热力学非平衡的问题,并有模拟系统温差影响小的特点.对液态氩的热导率进行模拟并与RNEMD方法的模拟结果进行对比.