Energy transport in silicon–aluminum composite thin film during laser short-pulse irradiation

Energy transport in silicon–aluminum composite thin films due to short-pulse laser irradiation is examined. Frequency dependent phonon transport in the silicon film is considered to formulate equivalent equilibrium temperature while modified two-equation model is used in the aluminum film to obtain electron and phonon temperatures. Thermal boundary resistance across the films is incorporated in the analysis. Transmittance, reflectance, and absorption of the incident laser beam are determined using the transfer matrix method. Equivalent equilibrium temperatures resulted from frequency dependent and frequency independent solutions are compared. It is found that phonon temperature increase at the aluminum interface is suppressed by phonon transport to the silicon film, which is more pronounced at low laser pulse intensities. The influence of the ballistic phonons on equivalent equilibrium temperature in the silicon film is found to be significant.     

Laser short-pulse heating of silicon-aluminum thin films

Energy transport in silicon-aluminum thin films is examined during the laser short-pulse irradiation subjected to the silicon film. The silicon film is considered to be at the top of the aluminum film. Thermal boundary resistance at the interface of the films is incorporated in the analysis. The absorption of laser radiation in the silicon and aluminum films is modeled using the transfer matrix method. Since the silicon film is dielectric, the phonon radiative transport basing the Boltzmann transport equation is incorporated to determine equivalent equilibrium temperature in the film while modified two-equation model is used to account for the non-equilibrium energy transport due to thermal separation of electron and phonon sub-systems in the aluminum film during the laser short-pulse heating process.     

Phonon transport in silicon-silicon and silicon-diamond thin films: Consideration of thermal boundary resistance at interface

Phonon transport across the silicon-silicon and silicon-diamond dielectric films is examined. To simulate the phonon transport in the films EPRT is accounted and numerical solutions are obtained with the consideration of 1 K difference across the films prior to the initiation of the phonon transport. The diffuse mismatch model is introduced to account for the thermal boundary resistance at the interface of the films. To validate the code developed, the steady and transient cases for phonon transport in silicon film are carried out. It is found that the equilibrium temperature of phonons attains higher value at the interface of silicon films in silicon-silicon films than that corresponding to silicon-diamond films. The predictions of phonon temperature distribution in the silicon film agree well with its counterpart reported in the previous studies.     

Effect of temperature oscillation on thermal characteristics of an aluminum thin film

Energy transport in aluminum thin film is examined due to temperature disturbance at the film edge. Thermal separation of electron and lattice systems is considered in the analysis, and temperature variation in each sub-system is formulated. The transient analysis of frequency-dependent and frequency-independent phonon radiative transport incorporating electron–phonon coupling is carried out in the thin film. The dispersion relations of aluminum are used in the frequency-dependent analysis. Temperature at one edge of the film is oscillated at various frequencies, and temporal response of phonon intensity distribution in the film is predicted numerically using the discrete ordinate method. To assess the phonon transport characteristics, equivalent equilibrium temperature is introduced. It is found that equivalent equilibrium temperature in the electron and lattice sub-systems oscillates due to temperature oscillation at the film edge. The amplitude of temperature oscillation reduces as the distance along the film thickness increases toward the low-temperature edge of the film. Equivalent equilibrium temperature attains lower values for the frequency-dependent solution of the phonon transport equation than that corresponding to frequency-independent solution.     

Laser short-pulse heating of silicon film with the presence of metallic substrate

Laser interaction of silicon film located at he top of metallic substrate is examined and energy transport in electron and lattice sub-systems are formulated using the electron kinetic theory approach. The simulations are repeated for different substrate materials, namely gold, silver, and copper. It is found that electron temperature in the silicon film rises in the vicinity of the silicon–metallic substrate interface, despite the fact that energy absorption from the irradiated filed is significantly low in the silicon film. Lattice site temperature rises rapidly in the early heating period at the interface. In addition, lattice site temperature increase is higher in the silicon film than that corresponding to the metallic substrate.     

Size effect on phonon transport in two-dimensional silicon film

Phonon transport in two-dimensional silicon film is investigated and frequency dependent Boltzmann transport equation is solved numerically using discrete ordinate method. The transient effects of phonon transport in the film are incorporated in the analysis. The influence of film size on phonon transport is examined through equivalent equilibrium temperature in the film. It is found that increasing film thickness enhances phonon scattering and dispersion in the film while increasing equivalent equilibrium temperature. The rate of equivalent equilibrium temperature increase is high in the early heating period ( \(\hbox {t} \le 50\,\hbox {ps}\) ) and the rate of temperature increase becomes gradual in the film as the heating period progresses.     

硅纳米薄膜法向热导率的进一步分析

应用非平衡分子动力学方法进一步研究了平均温度为300K、厚度为2.715nm-43.44nm的单晶硅薄膜的法向热导率,模拟结果表明,薄膜热导率低于同温度下单晶硅的实验值,存在显著的尺寸效应,当膜厚度在20nm以下时,法向热导率随尺度减小而线性减小,当膜厚度大于20nm时法向热导率随尺度呈现二阶多项式变化。法向热导率的变化规律与面向热导率的变化规律类似,表明薄膜厚度和表面晶格结构对声子传热影响的复杂性。     

考虑界面散射的金属纳米线热导率修正

理论分析了声子和电子输运对Cu, Ag金属纳米线热导率的贡献. 采用镶嵌原子作用势模型描述纳米尺寸下金属原子间的相互作用, 应用平衡分子动力学方法和Green-Kubo函数模拟了金属纳米线的声子热导率; 采用玻尔兹曼输运理论和Wiedemann-Franz定律计算电子热导率; 并通过散射失配模型和Mayadas-Shatzkes模型引入晶界散射的影响. 在此基础上, 考察分析了纳米线尺度和温度的影响. 研究结果表明: Cu, Ag纳米线热导率的变化规律相似; 电子输运对金属纳米线的导热占主导地位, 而声子热导率的贡献也不容忽视; 晶界散射导致热导率减小, 尤其对电子热导率作用显著; 纳米线总热导率随着温度的升高而降低; 随着截面尺寸减小而减小, 但声子热导率所占份额有所增加. 关键词： 纳米线 热导率 表面散射 晶界散射     

An electrohydrodynamics model for non-equilibrium electron and phonon transport in metal films after ultra-short pulse laser heating

The electrons and phonons in metal films after ultra-short pulse laser heating are in highly non-equilibrium states not only between the electrons and the phonons but also within the electrons. An electrohydrodynamics model consisting of the balance equations of electron density, energy density of electrons, and energy density of phonons is derived from the coupled non-equilibrium electron and phonon Boltzmann transport equations to study the nonlinear thermal transport by considering the electron density fluctuation and the transient electric current in metal films, after ultra-short pulse laser heating. The temperature evolution is calculated by the coupled electron and phonon Boltzmann transport equations, the electrohydrodynamics model derived in this work, and the two-temperature model. Different laser pulse durations, film thicknesses, and laser fluences are considered. We find that the two-temperature model overestimates the electron temperature at the front surface of the film and underestimates the damage threshold when the nonlinear thermal transport of electrons is important. The electrohydrodynamics model proposed in this work could be a more accurate prediction tool to study the non-equilibrium electron and phonon transport process than the two-temperature model and it is much easier to be solved than the Boltzmann transport equations.     

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.     

单晶硅薄膜法向热导率分子动力学研究

采用非平衡分子动力学方法（NEMD）研究了平均温度为 500K、厚度为 2～32nm的单晶硅薄膜的法向热导率。模拟结果表明,薄膜热导率显著低于对应温度下的体硅单晶的实验值,并随膜厚度减小以接近线性的规律减小。用声子气动力论模型的分析结果与NEMD模拟相一致,表明纳米单晶硅薄膜中声子平均自由程显著减小。     

Unexpected large thermal rectification in asymmetric grain boundary of graphene

We have investigated the lattice thermal transport across the asymmetric tilt grain boundary between armchair and zigzag graphene by nonequilibrium molecular dynamics (NEMD). We have observed significant temperature drop and ultra-low temperature-dependent thermal boundary resistance. More importantly, we find an unexpected thermal rectification phenomenon. The thermal conductivity and Kapitza conductance is direction-dependent. The effect of thermal rectification could be amplified by increasing the difference of temperature imposed on two sides. Our results propose a promising kind of thermal rectifier and phonon diodes based on polycrystalline graphene without delicate manipulation of the atomic structure.     

Effect of intense laser irradiation on the lattice stability of semiconductors and metals

The effect of intense ultrashort irradiation on interatomic forces, crystal stability, and possible melting transition of the underlying lattice is not completely elucidated. By using ab initio linear response to compute the phonon spectrum of gold, silicon, and aluminum, we found that silicon and gold behave in opposite ways when increasing radiation intensity: whereas a weakening of the silicon bond induces a lattice instability, gold undergoes a sharp increase of its melting temperature, while a significantly smaller effect is observed for aluminum for electronic temperatures up to 6 eV.     

Transmission of high-frequency phonons through thin glass films

By means of phonon spectroscopy we measured the transmission of high-frequency phonons through thin glass films in the frequency range from 100 to 300 GHz. The films were prepared by thermal oxydation of silicon single crystals. Our data obtained from films with different thicknesses suggest that the observed phonon attenuation is due to scattering processes at the silicon-glass interface and not to a bulk effect in the glass film. The phonon mean free path at 300 GHz turns out to be larger than 4microm. We find evidence for the absence of inelastic scattering processes.     

飞秒激光抽运探测热反射法对金属纳米薄膜超快非平衡传热的研究

随着微电子器件尺寸的减小、 工作频率的提高, 金属薄膜中电子与声子将处于非平衡状态, 这将导致微电子器件的热阻增大. 为准确地对这些微电子器件进行热管理, 电子-声子耦合系数的测量变得越来越重要. 本文采用飞秒激光抽运-探测热 反射法研究了不同厚度的金属纳米薄膜的非平衡传热过程. 通过抛物两步模型对实验数据进行拟合, 在拟合过程中引入电子温度与声子温度对反射率影响的比例关系, 从而优化了拟合结果. 通过对不同厚度的Ni膜与Al膜的电子-声子耦合系数的研究, 表明金属薄膜中的电子-声子耦合系数并不随薄膜厚度的改变发生变化. 实验结果还验证了探测光的反射率同时受到电子温度和声子温度的影响, 并通过数据分析量化了电子温度和声子温度对反射率的影响系数.     

硅纳米薄膜中声子弹道扩散导热的蒙特卡罗模拟

通过建立声子散射概率函数描述声子在输运过程中的散射,提出了一种模拟声子弹道扩散导热的蒙特卡罗方法,并将其应用于硅纳米薄膜中的稳态和瞬态弹道扩散导热过程的研究. 提出的蒙特卡罗方法对边界发射的声子束进行跟踪,根据散射概率函数模拟声子束在传播区域内经历的散射过程,并通过统计声子束的分布得到温度分布. 稳态导热过程的模拟发现,尺寸效应会引起边界温度跳跃,其值随着Knudsen数的增大而增大;计算的硅纳米薄膜的热导率随着厚度的增大而增大,与文献中的实验数据和理论模型相符. 通过瞬态导热过程的模拟得到了纳米薄膜内的温度分布随时间的变化,发现瞬态导热过程中的热波现象与空间尺度相关,材料尺寸越小,弹道输运越强,薄膜中的热波现象也越显著. 关键词： 纳米薄膜 弹道扩散导热 蒙特卡罗模拟 尺寸效应     

六方氮化硼薄膜对石墨烯-碳化硅结构近场热辐射的增强

六方氮化硼(hBN)具有跟石墨烯类似的层状结构和晶格参数,研究发现hBN薄膜具有良好的热传导、电绝缘、光学和力学等性能。本文从理论上研究了hBN薄膜对石墨烯-碳化硅(G/S)结构的近场热辐射的影响。研究发现在红外频段.hBN薄膜在低频率区和高频率区会增强G/S结构的近场热辐射,经计算在G/S结构中加入厚度为10 nm的hBN薄膜时获得的辐射热流是同物理条件下G/S结构的1.5倍;而在中频率区hBN薄膜的厚度阻碍了石墨烯表面等离激元和碳化硅表面声子极化激元的耦合,使得近场热辐射热流随hBN薄膜厚度增加而逐渐减弱。本研究的结果可为下一步实验与应用中对hBN薄膜厚度的选择提供理论基础。     

氢化非晶硅薄膜的热导率研究

采用铂电极为加热电阻,研究了厚度为300—370nm等离子体化学气相沉积(PECVD)工艺制备的氢化非晶硅(a-Si：H)薄膜的热导率随衬底温度的变化规律.用光谱式椭偏仪拟合测量薄膜的厚度,得到了沉积速率随衬底温度变化规律,傅里叶红外(FTIR)表征了在KBr晶片衬底上制备的a-Si：H薄膜的红外光谱特性,SiH原子团键合模的震动对热量的吸收降低了薄膜热导率.从动力学角度分析了薄膜热导率随平均温度升高而增大的原因,并比较了声子传播和自由电子移动在a-Si：H薄膜热导率变化上的作用差异. 关键词： 非晶硅 热导率 薄膜 热能     

单晶硅薄膜面向热导率分子动力学研究

采用非平衡分子动力学方法(NEMD)研究了室温(300 K)下厚度为2～32 nm的单晶硅薄膜的沿膜平面方向的热导率,并使用Debye-Einstein模型对模拟温度进行了量子修正。模拟表明薄膜面向热导率小于相应的大体积值,并随膜厚度减小而减小,具有显著的尺寸效应。在模拟范围内膜面向热导率略大于其法向热导率;与声子气动力论的定性结果一致。晶体的表面弛豫和表面重构现象导致了MD模拟中体系总内能的升高。     

带孔硅纳米薄膜热整流及声子散射特性研究

本文基于非平衡的分子动力学模拟方法计算了带有三角形孔的硅纳米薄膜的界面热阻特性,结果表明300-1100 K范围内随着热流方向的改变,在含有三角形孔的硅纳米薄膜中存在热整流效应,热整流系数达28％.同时借助于声子波包动力学模拟方法,获得了不同频率下的纵波声子在三角形孔处的散射特性,结果表明纵波声子在散射过程中产生了横波声子,并且从三角形底部向顶部入射的声子能量透射系数比反向时平均低22％.不对称结构引起的声子透射率的差异是引起热整流效应的主要因素.