含半圆弧形腔的量子波导中声学声子输运和热导特性

采用散射矩阵方法,研究了在应力自由和硬壁两种典型的边界条件下含半圆弧形腔的量子波导中声学声子输运和热导性质.结果表明在两种边界条件下声子透射谱和热导有着不同的特征.在应力自由边界条件下,能观察到普适的量子化热导现象,当结构为一理想的量子线时,在低温区域有一个量子化平台出现,而当半圆弧形结构存在时,非均匀横向宽度引发的弹性散射使得量子化平台被破坏;在硬壁边界条件下,不可能观察到量子化热导现象,热导随温度的增加单调上升;计算结果表明还可以通过调节半圆弧形结构的半径来调控声子的输运概率和热导. 关键词： 声学声子输运 热导 量子体系     

低温下多通道量子结构中的弹性声子输运和热导

利用弹性近似模型和散射矩阵方法,研究了低温下多通道量子结构中的弹性声学声子输运的性质. 计算结果表明,对于低频声学声子,只要通道的横向宽度相同,各通道中最低阶模的透射概率几乎不受其他结构参数的影响,且其数值都接近于0.25;而高频声学声子在各通道中的透射概率与结构参数密切相关,不同通道中的透射概率不同;当温度非常低时,各通道的热导都接近于量子化热导π²k²_BT/(3h)的四分之一;随着温度的升高,各通道的热导增减 关键词： 声学声子输运 热导 量子结构     

含双T形量子结构的量子波导中声学声子输运和热导

采用散射矩阵方法, 研究了含双T形量子结构的量子波导中声学声子输运和热导性质. 结果表明: 在极低温度, 双T形量子结构能增强低温热导; 相反地, 在相对较高的温度范围, 双T形量子结构能降低低温热导. 而在整个低温范围内, 增加散射区域最窄处的宽度能增强低温热导. 计算结果表明可以通过调节含双T形量子结构的量子波导结构来调控声子的输运概率和热导. 关键词： 声学声子输运 热导 量子结构     

量子点调制的一维量子波导中声学声子输运和热导

利用散射矩阵方法,比较了被一维凸形量子点、凹形量子点调制的量子线中膨胀模的声子输运和热导性质. 研究结果表明: 声子的输运概率与热导受制于量子点几何结构,具有凸形量子点结构的量子线中声子输运概率与热导K_CV大于具有凹形量子点结构的量子线中声子输运概率与热导K_CC. 两者热导之比K_CV/K_CC依赖于一维量子点的具体结构,且随着温度及主量子线与量子点横截面的边长差Δ_SL的增加而增加. 两种具有不同散射结构的一维量子线中热输运性质的区别在于凸形量子点结构中膨胀模数量总是大于凹形量子点结构中膨胀模数量的缘故. 关键词： 声学声子输运 热导 量子结构     

多层异质结构中的声学声子输运

在连续弹性近似下，采用转移矩阵方法，研究了由不同含Al浓度的异质结(GaAs/Al_{xiGa1-xiAs)所构成的对称多层异质结构中的声学声子输运性质.结果表明：该结构中的声子透射谱具有与同组分厚度超晶格(GaAs/AlAs )不一样的特征，具体体现在透射曲线振荡幅度与频率等方面；声子透射谱特征与对称异质结构中AlxiGa1-xiAs层的含Al浓度xi(i表示对称轴两边的第i层)的分布有很大的关系，具体表现为：当xi随i的增加而递减时，透射谱线除主波谷外较平滑；而当xi随i的增加而递增时，透射谱振荡明显增大，且主波谷被分裂.声子透射系数还依赖于异质结组分层的厚度，尤其是AlxiGa1-xiAs的厚度.另外，异质结的层数对声子输运也产生一定的影响. 关键词： 输运 声子 异质结}     

拓扑声子与声子霍尔效应

拓扑学与物理的结合是近几十年物理学蓬勃发展的一个新领域,它不仅活跃在量子场理论以及高能物理中,更广泛地存在于凝聚态物理体系中,包括量子(反常、自旋)霍尔效应和拓扑绝缘体(超导体)等.声子是凝聚态体系中热输运的主要载体;最近由于各种声子器件的发现,声子学得到了广泛的关注.本文介绍了声子的拓扑性质以及声子的霍尔效应现象,分别评述了在破坏时间反演对称、破坏空间反演对称、以及同时破坏时间和空间反演对称三种情况下所产生的声子霍尔效应、声子谷霍尔效应等相关物理研究进展.最后对拓扑学在其他声学体系中的应用做了简单介绍,并进一步讨论了其未来的发展方向.     

Mo2C二维材料晶格热导率的第一性原理研究

Mo₂C是构建Mxene基器件的重要材料之一,对Mo₂C二维材料声子输运的理解非常必要.文章结合第一性原理方法和声子玻尔兹曼输运方程,研究了二维Mo₂C材料的晶格热导率.研究表明,室温下二维Mo₂C导热系数非常低,其锯齿方向和扶手椅方向的晶格热导率分别为7.20和5.04 W/mK.计算了声学振动和光学振动模式对晶格热导率的贡献,揭示总热导率主要由面内声学横波的振动模式所贡献.还进一步计算了声子群速度、声子弛豫时间、三声子散射空间和模式格林艾森参数,发现二维Mo₂C中的声子群速度和声子弛豫时间对晶格传输有重要的影响.     

表面低配位原子对声子的散射机制

由于纳米结构具有极高的表体比,声子-表面散射机制对声子的热输运性质起到关键作用.提出了表面低配位原子对声子的散射机制,并且结合量子微扰理论与键序理论推导出该机制的散射率.由于散射率正比于材料的表体比,这种散射机制对声子输运的重要性随着纳米结构尺寸的减小而增大.散射率正比于声子频率的4次方,所以这种散射机制对高频声子的作用远远强于对低频声子的作用.基于声子玻尔兹曼输运方程,计算了硅纳米薄膜和硅纳米线的热导率,发现本文模型比传统的声子-边界散射模型更接近实验值.此发现不仅有助于理解声子-表面散射的物理机制,也有助于应用声子表面工程调控纳米结构的热输运性质.     

微微秒时间间隔的晶格动力学

声学声子和光学声子的寿命以及寿命随温度、频率的变化影响固体的许多性质.例如,声学声子寿命对绝缘休、半导体和非晶固体的热输运性质的影响是极为重要的.光学声子的衰减动力学过程和光学声子与其它激发的耦合,对半导体的热电子输运,绝缘体中非平衡高频声学声子的产生等问题都起十分重要的作用.因此对声学及光学声子寿命的研究已成为固体物理中基本的和极感兴趣的课题. 高温下或在有短的平均自由程的材料中,声学声子激发的寿命通常是微微秒的范围.而频率为5—10THz的光学声子的寿命则是毫微微秒量级.最近两年,用微微秒与毫微微秒激光脉冲…     

双层薄膜界面声子输运的Monte Carlo模拟

界面声子热输运现象广泛地存在于纳米热电装置和微纳电子器件中,但其物理机制和介观模型仍不完善。本文将考虑真实色散关系的漫射失配(DMM)界面模型引入到高效、低噪的动力型声子Monte Carlo(MC)方法,建立了一个频谱穿透系数的界面声子输运数值模型。采用新的数值模型研究了室温下Si/Al薄膜中的界面声子输运,可准确捕捉法向输运和面向输运的非平衡效应。     

多约束纳米结构的声子热导率模型研究

纳米技术的快速发展使得对微纳尺度导热机理的深入研究变得至关重要. 理论和实验都表明, 在纳米尺度下声子热导率将表现出尺寸效应. 基于声子玻尔兹曼方程和修正声子平均自由程的方法得到了多约束纳米结构的声子热导率模型, 可以描述多个几何约束共同作用下热导率的尺寸效应. 不同几何约束对声子输运的限制作用可以分开计算, 总体影响则通过马西森定则进行耦合. 对于热流方向的约束, 采用扩散近似的方法求解声子玻尔兹曼方程; 对于侧面边界约束, 采用修正平均自由程的方法计算边界散射对热导率的影响. 得到的模型能够预测纳米薄膜(法向和面向)及有限长度方形纳米线的热导率随相应特征尺寸的变化. 与蒙特卡罗模拟及硅纳米结构热导率实验值的对比验证了模型的正确性.     

The scattering of phonons of arbitrary wavelength at a solid-solid interface: Model calculation and applications

A one-dimensional lattice model of a solid-solid interface is presented within which it is possible to characterize the scattering of phonons at the interface as a function of wavelength. The probability for a phonon to be transmitted across the interface is found generally to decrease with decreasing wavelength, although phenomena such as total reflexion and resonant transmission may occur. Conditions for the existence of a localized interface mode are given. The thermal boundary resistance for heat flow across the interface is expressed in terms of an average temperature-dependent phonon transmission coefficient which generally increases with decreasing temperature and approaches the continuum value at very low temperature. Applications of these results to three-dimensional interfaces in general, and particularly to heat dissipation in catalysts, high-frequency phonon radiators, and Kapitza resistance, are discussed.     

Effect of structural defect on phonon transmission quantization in low-dimensional superlattices

Using the scattering-matrix cascading method, we investigate the effect of structural defect on the acoustic phonon transmission quantization in a low-dimensional superlattice quantum waveguide. In the present system, the phonon transmission exhibits rather complex resonant behaviors. It is found that a lateral defect in an otherwise periodic structure modifies the transversal phonon transmission spectra nontrivially and completely washes away the transmission quantization due to the strong additional scattering by defect. However, the appreciable quantization survives in the presence of a longitudinal defect. Our results also show that by adjusting the geometric parameters of the structural defect, one can control the phonon transport of the structure to match practical requirements in devices.     

Structural acoustic silencers--design and experiment

The effectiveness of introducing flexible structural layers into air conveying ducts for controlling noise is investigated through theoretical and experimental means, focusing at low frequencies where conventional passive silencing technology is least effective. Previous theoretical work has shown that using flexible rather than rigid walls has the potential to achieve high transmission losses. The physical mechanisms responsible for structural acoustic silencing, including the relation between transmission loss peaks and structural resonance corresponding to different transverse structural modes, are presented. Sensitivity of the performance to acoustic and structural boundary conditions is discussed. To eliminate radiated noise from these walls (breakout noise), a rigid walled cavity is introduced under the flexible plate. The challenge is to find means to reject plane waves in the two-duct system. Designs that overcome these issues and achieve appreciable transmission loss are investigated. Results based on three-dimensional finite element simulations are compared with experimental results.     

Velocities of sound and the densities of phonon states in a uniformly strained flat graphene sheet

The effect of elastic strain on the mechanical and physical properties of graphene has been intensively studied in recent years. Using the molecular dynamics method, a surface has been built in the three-dimensional space of components of the plane strain tensor bounds the region of the structural stability of a flat graphene sheet without considering thermal vibrations and the influence of boundary conditions. The velocities of sound and the densities of phonon states in graphene subjected to an elastic strain within the region of the structural stability have been calculated. It has been shown that one of the velocities of sound becomes zero near the stability boundary of a flat graphene sheet. During biaxial tension of graphene, there is no gap in its phonon spectrum; however, it forms under uniaxial tension along the zigzag or armchair directions and also under combined tensile and compressive strains.     

Size-dependent phonon transmission across dissimilar material interfaces

In this paper, we study the size effects on the phonon transmission across material interfaces using the atomistic Green's function method. Layered Si and Ge or Ge-like structures are modeled with a variety of confined sizes in both transverse and longitudinal directions. The dynamical equation of the lattice vibration (phonon waves) is solved using the Green's function method and the phonon transmission is calculated through the obtained Green's function. Phonon transmission across a single interface of semi-infinite Si and Ge materials is studied first for the validation of the methodology. We show that phonon transmission across an interface can be tuned by changing the mass ratio of the two materials. Multi-layered superlattice-like structures with longitudinal size confinement are then studied. Frequency-dependent phonon transmission as a function of both the number of periods and the period thickness is reported. A converged phonon transmission after ten periods is observed due to the formation of phonon minibands. Frequency-dependent phonon transmission with transverse size confinement is also studied for the interface of Si and Ge nanowire-like structures. The phonon confinement induces new dips and peaks of phonon transmission when compared with the results for a bulk interface. With increasing size in the transverse direction, the phonon transmission approaches that of a bulk Si/Ge interface.     

Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?

The phonon thermal contribution to the melting temperature of nano-particles is inspected. The discrete summation of phonon states and its corresponding integration form as an approximation for a nano-particle or for a bulk system have been analyzed. The discrete phonon energy levels of pure size effect and the wave-vector shifts of boundary conditions are investigated in detail. Unlike in macroscopic thermodynamics, the integration volume of zero-mode of phonon for a nano-particle is not zero, and it plays an important role in pure size effect and boundary condition effect. We find that a nano-particle will have a rising melting temperature due to purely finite size effect; a lower melting temperature bound exists for a nano-particle in various environments, and the melting temperature of a nano-particle with free boundary condition reaches this lower bound. We suggest an easy procedure to estimation the melting temperature, in which the zero-mode contribution will be excluded, and only several bulk quantities will be used as input. We would like to emphasize that the quantum effect of discrete energy levels in nano-particles, which is not present in early thermodynamic studies on finite size corrections to melting temperature in small systems, should be included in future researches.     

Phonon absorbing boundary conditions for molecular dynamics

With the goal of minimizing the domain size for molecular dynamics (MD) simulations, we develop a new class of absorbing boundary conditions (ABCs) that mimic the phonon absorption properties of an unbounded exterior. The proposed MD-ABCs are extensions of perfectly matched discrete layers (PMDLs), originally developed as an absorbing boundary condition for continuous wave propagation problems. Called MD-PMDL, this extension carefully targets the absorption of phonons, the high frequency waves, whose propagation properties are completely different from continuous waves. This paper presents the derivation of MD-PMDL for general lattice systems, followed by explicit application to one-dimensional and two-dimensional square lattice systems. The accuracy of MD-PMDL for phonon absorption is proven by analyzing reflection coefficients, and demonstrated through numerical experiments. Unlike existing MD-ABCs, MD-PMDL is local in both space and time and thus more efficient. Based on their favorable properties, it is concluded that MD-PMDL could provide a more effective alternative to existing MD-ABCs.