Can Disorder Induce a Finite Thermal Conductivity in 1D Lattices?

We study heat conduction in one-dimensional mass-disordered harmonic and anharmonic lattices. It is found that the thermal conductivity kappa of the disordered anharmonic lattice is finite at low temperature, whereas it diverges as kappa approximately N0.43 at high temperature. Moreover, we demonstrate that a unique nonequilibrium stationary state in the disordered harmonic lattice does not exist at all.     

Intriguing heat conduction of a chain with transverse motions

We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. Using equilibrium and nonequilibrium molecular dynamics, three types of thermal conducting behaviors are found: a logarithmic divergence with system sizes for large transverse coupling, 1/3 power law at intermediate coupling, and 2/5 power law at low temperatures and weak coupling. The results are consistent with a simple mode-coupling analysis of the same model. We suggest that the 1/3 power-law divergence should be a generic feature for models with transverse motions.     

Finite heat conduction in a 2D disorder lattice

Recently, the thermal conductivity in disordered chains has attracted a lot of attention, including the discussion of the disorder anharmonic and harmonic chains. A natural problem concerns the higher-dimensional disordered lattice system. This paper gives a 2D harmonic lattice model with missing bond defects. When the defect density is large enough, a temperature gradient builds up and a finite heat conduction is found in this model.     

Different kinds of discrete breathers in a Sine–Gordon lattice

We study a one-dimensional Sine–Gordon lattice of anharmonic oscillators with cubic and quartic nearest-neighbor interactions, in which discrete breathers can be explicitly constructed by an exact separation of their time and space dependence. DBs can stably exist in the one-dimensional Sine–Gordon lattice no matter whether the nonlinear interaction is cubic or quartic. When a parametric driving term is introduced in the factor multiplying the harmonic part of the on-site potential of the system, we can obtain the stable quasiperiodic discrete breathers and chaotic discrete breathers by changing the amplitude of the driver.     

Different kinds of discrete breathers in a Sine-Gordon lattice

We study a one-dimensional Sine-Gordon lattice of anharmonic oscillators with cubic and quartic nearest-neighbor interactions, in which discrete breathers can be explicitly constructed by an exact separation of their time and space dependence. DBs can stably exist in the one-dimensional Sine-Gordon lattice no matter whether the nonlinear interaction is cubic or quartic. When a parametric driving term is introduced in the factor multiplying the harmonic part of the on-site potential of the system, we can obtain the stable quasiperiodic discrete breathers and chaotic discrete breathers by changing the amplitude of the driver.     

Heat transport in low-dimensional systems

Recent results on theoretical studies of heat conduction in low-dimensional systems are presented. These studies are on simple, yet non-trivial, models. Most of these are classical systems, but some quantum-mechanical work is also reported. Much of the work has been on lattice models corresponding to phononic systems, and some on hard-particle and hard-disc systems. A recently developed approach, using generalized Langevin equations and phonon Green's functions, is explained and several applications to harmonic systems are given. For interacting systems, various analytic approaches based on the Green–Kubo formula are described, and their predictions are compared with the latest results from simulation. These results indicate that for momentum-conserving systems, transport is anomalous in one and two dimensions, and the thermal conductivity κ diverges with system size L as κ ～ L ^α. For one-dimensional interacting systems there is strong numerical evidence for a universal exponent α = 1/3, but there is no exact proof for this so far. A brief discussion of some of the experiments on heat conduction in nanowires and nanotubes is also given.     

PARAMETRIC SIMULTONS IN ONE-DIMENSIONAL NONLINEAR LATTICES

Parametric simultaneous solitary wave (simulton) excitations are shown to be possible in nonlinear lattices. Taking a one-dimensional diatomic lattice with a cubic potential as an example, we consider the nonlinear coupling between the upper cut-off mode of acoustic branch (as a fundamental wave) and the upper cut-off mode of optical branch (as a second harmonic wave). Based on a quasi-discreteness approach the Karamzin－Sukhorukov equations for two slowly varying amplitudes of the fundamental and the second harmonic waves in the lattice are derived when the condition of second harmonic generation is satisfied. The lattice simulton solutions are given explicitly and the results show that these lattice simultons can be nonpropagating when the wave vectors of the fundamental wave and the second harmonic waves are exactly at π/a (where a is the lattice constant) and zero, respectively.     

The effect of three-body interactions on thermal desorption spectra

Thermal desorption spectra are calculated for a one-dimensional chain and for a two-dimensional square lattice using the transfer-matrix technique and Monte Carlo simulations. Lateral interactions of adsorbed particles cause a splitting of spectra. The repulsive three-body interactions are shown to lead to an inequality of the integral intensities of the thermal desorption peaks.     

Phonon relaxation and heat conduction in one-dimensional Fermiben Pastaben Ulam β lattices by molecular dynamics simulations

The phonon relaxation and heat conduction in one-dimensional Fermi-Pasta-Ulam (FPU) β lattices are studied by using molecular dynamics simulations. The phonon relaxation rate, which dominates the length dependence of the FPU β lattice, is first calculated from the energy autocorrelation function for different modes at various temperatures through equilibrium molecular dynamics simulations. We find that the relaxation rate as a function of wave number k is proportional to k^1.688, which leads to a N^0.41 divergence of the thermal conductivity in the framework of Green-Kubo relation. This is also in good agreement with the data obtained by non-equilibrium molecular dynamics simulations which estimate the length dependence exponent of the thermal conductivity as 0.415. Our results confirm the N^2/5 divergence in one-dimensional FPU β lattices. The effects of the heat flux on the thermal conductivity are also studied by imposing different temperature differences on the two ends of the lattices. We find that the thermal conductivity is insensitive to the heat flux under our simulation conditions. It implies that the linear response theory is applicable towards the heat conduction in one-dimensional FPU β lattices.     

阻尼作用下一维体系热传导性质的研究

利用分子动力学方法，研究了阻尼对一维体系热传导性质的影响.研究结果表明，当体系的可积性因阻尼的引入而被破坏时，在一维谐振子晶格体系中也能够形成线性的温度分布.弱阻尼对非可积体系的温度分布和热导率的影响是一种微扰，而对于可积体系是一种性态的改变.在强阻尼条件下，由于体系能量的过度耗散，体系中呈现出凹形的温度分布和收敛的热导率. 关键词： 非线性动力学 一维体系 能量传输 阻尼     

不变本征算符方法求解含不同在位势的一维双原子链的色散关系

本文运用全量子化的不变本征算符方法, 求解了含有不同简谐在位势的一维双原子链模型, 得到其色散关系并讨论了不同在位势系数之比和力常数对于色散关系高频支和低频支的影响, 分析发现在位势的存在使得低频支和高频支的频谱都有一定程度的抬高; 在一定的条件下, 布里渊区边界的高频支与低频支存在交点, 意味着在某些在位势下, 高频支与低频支的频隙为零. 关键词： 在位势 一维双原子链 不变本征算符方法 色散关系     

Discrete breathers in a model with Morse potentials

Under harmonic approximation, this paper discusses the linear dispersion relation of the one-dimensional chain. The existence and evolution of discrete breathers in a general one-dimensional chain are analysed for two particular examples of soft (Morse) and hard (quartic) on-site potentials. The existence of discrete breathers in one-dimensional and two-dimensional Morse lattices is proved by using rotating wave approximation, local anharmonic approximation and a numerical method. The localization and amplitude of discrete breathers in the two-dimensional Morse lattice with on-site harmonic potentials correlate closely to the Morse parameter a and the on-site parameter к.     

Intrinsically minimal thermal conductivity in cubic I-V-VI2 semiconductors

We report measurements of the thermal conductivity of high-quality crystals of the cubic I-V-VI2 semiconductors AgSbTe2 and AgBiSe2. The thermal conductivity is temperature independent from 80 to 300 K at a value of approximately 0.70 W/mK. Heat conduction is dominated by the lattice term, which we show is limited by umklapp and normal phonon-phonon scattering processes to a value that corresponds to the minimum possible, where the phonon mean free path equals the interatomic distance. Minimum thermal conductivity in cubic I-V-VI2 semiconductors is due to an extreme anharmonicity of the lattice vibrational spectrum that gives rise to a high Grüneisen parameter and strong phonon-phonon interactions. Members of this family of compounds are therefore most promising for thermoelectric applications, particularly as p-type materials.     

An Analytical Self-consistent Solution for the Free Energy of a 1-D Chain of Atoms Including Anharmonic Effects

The self-consistent method of lattice dynamics (SCLD) is used to obtain an analytical solution for the free energy of a periodic, one-dimensional, mono-atomic chain accounting for fourth-order anharmonic effects. For nearest-neighbor interactions, a closed-form analytical solution is obtained. In the case where more distant interactions are considered, a system of coupled nonlinear algebraic equations is obtained (as in the standard SCLD method) however with the number of equations dramatically reduced. The analytical SCLD solutions are compared with a numerical evaluation of the exact solution for simple cases and with molecular dynamics simulation results for a large system. The advantages of SCLD over methods based on the harmonic approximation are discussed as well as some limitations of the approach.     

Heat Transport in Harmonic Lattices

We work out the non-equilibrium steady state properties of a harmonic lattice which is connected to heat reservoirs at different temperatures. The heat reservoirs are themselves modeled as harmonic systems. Our approach is to write quantum Langevin equations for the system and solve these to obtain steady state properties such as currents and other second moments involving the position and momentum operators. The resulting expressions will be seen to be similar in form to results obtained for electronic transport using the non-equilibrium Green’s function formalism. As an application of the formalism we discuss heat conduction in a harmonic chain connected to self-consistent reservoirs. We obtain a temperature dependent thermal conductivity which, in the high-temperature classical limit, reproduces the exact result on this model obtained recently by Bonetto, Lebowitz and Lukkarinen.     

Size Dependent Heat Conduction in One-Dimensional Diatomic Lattices

We study the size dependency of heat conduction in one-dimensional diatomic FPU-β lattices and establish that for low dimensional material,contribution from optical phonons is found more effective to the thermal conductivity and enhance heat transport in the thermodynamic limit N →∞.For the finite size,thermal conductivity of 1D diatomic lattice is found to be lower than 1D monoatomic chain of the same size made up of the constituent particle of the diatomic chain.For the present 1D diatomic chain,obtained value of power divergent exponent of thermal conductivity0.428±0.001 and diffusion exponent 1.2723 lead to the conclusions that increase in the system size,increases the thermal conductivity and existence of anomalous energy diffusion.Existing numerical data supports our findings.     

Lattice bosons in a quasi-disordered environment

In this paper, we study non-interacting bosons in a quasi-disordered one-dimensional optical lattice in a harmonic potential. We consider the case of deterministic quasi-disorder produced by an Aubry–André potential. Using exact diagonalization, we investigate both the zero temperature and the finite temperature properties. We investigate the localization properties by using an entanglement measure. We find that the extreme sensitivity of the localization properties to the number of lattice sites in finite size closed chains disappear in open chains. This feature continues to be present in the presence of a harmonic confining potential. The quasi-disorder is found to strongly reduce the Bose–Einstein condensation temperature and the condensate fraction in open chains. The low temperature thermal depletion rate of the condensate fraction increases considerably with increasing quasi-disorder strength. We also find that the critical quasi-disorder strength required for localization increases with increasing strength of the harmonic potential. Further, we find that the low temperature condensate fraction undergoes a sharp drop to 0.5 in the localization transition region. The temperature dependence of the specific heat is found to be only marginally affected by the quasi-disorder.     

Phonons and periodons in IV–VI semiconductor superlattices

We have calculated the phonon and periodon dispersion relations in IV–VI semi-conducting bulk PbTe and SnTe and their superlattice structure. The model used here is a one-dimensional lattice which includes harmonic interactions up to second neighbours as well as on-site nonlinear electron-ion interactions at the anion site. We calculate the phonon and periodon dispersion relations in bulk and PbTe-SnTe superlattice for the transverse optic and acoustic modes using the transfer matrix method. Our analysis has predicted correct nature of the folding of acoustic and confinement of optical phonons at various frequency intervals corresponding to pass and stop bands of the superlattices.     

Energy Transport in Weakly Anharmonic Chains

We investigate the energy transport in a one-dimensional lattice of oscillators with a harmonic nearest neighbor coupling and a harmonic plus quartic on-site potential. As numerically observed for particular coupling parameters before, and confirmed by our study, such chains satisfy Fourier’s law: a chain of length N coupled to thermal reservoirs at both ends has an average steady state energy current proportional to 1/N. On the theoretical level we employ the Peierls transport equation for phonons and note that beyond a mere exchange of labels it admits nondegenerate phonon collisions. These collisions are responsible for a finite heat conductivity. The predictions of kinetic theory are compared with molecular dynamics simulations. In the range of weak anharmonicity, respectively low temperatures, reasonable agreement is observed.     

Entanglement and criticality in translationally invariant harmonic lattice systems with finite-range interactions

We discuss the relation between entanglement and criticality in translationally invariant harmonic lattice systems with nonrandom, finite-range interactions. We show that the criticality of the system as well as validity or breakdown of the entanglement area law are solely determined by the analytic properties of the spectral function of the oscillator system, which can easily be computed. In particular, for finite-range couplings we find a one-to-one correspondence between an area-law scaling of the bipartite entanglement and a finite correlation length. This relation is strict in the one-dimensional case and there is strong evidence for the multidimensional case. We also discuss generalizations to couplings with infinite range. Finally, to illustrate our results, a specific 1D example with nearest and next-nearest-neighbor coupling is analyzed.