Improved two-temperature model including electron density of states effects for Au during femtosecond laser pulses

The electron temperature dependences of the electron–phonon coupling factor and electron heat capacity based on the electron density of states are investigated for precious metal Au under femtosecond laser irradiation. The thermal excitation of d band electrons is found to result in large deviations from the commonly used approximations of linear temperature dependence of the electron heat capacity, and the constant electron–phonon coupling factor. Results of the simulations performed with the two-temperature model demonstrate that the electron–phonon relaxation time becomes short for high fluence laser for Au. The satisfactory agreement between our numerical results and experimental data of threshold fluence indicates that the electron temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons should not be neglected under the condition that electron temperature is higher than 10⁴ K.     

Modeling of the processes of laser-nanoparticle interaction taking into account temperature dependences of parameters

Absorption, electron-phonon coupling and heating of nanoparticles (NPs) under action of short laser pulses on NPs and their cooling after the end of laser action usually has nonlinear character. Nonlinear electron-phonon coupling under action of pico- and femtosecond pulses on metal NPs depends on electron and lattice parameters. Optical (absorption, scattering, extinction) and thermo-physical (coefficient of thermal conductivity, heat capacity, etc.) parameters of different materials of NPs (metals, oxides, semiconductors, etc.) and environments (water, liquids, dielectrics, etc.) depend on temperature and determine nonlinear dynamics of NPs heating and cooling. It is very important to take into account the temperature dependence of optical and thermophysical parameters of NPs and surrounding media under investigation of absorption of laser radiation, electron-phonon coupling, nanoparticle (NP) heating, heat transfer and its cooling after the end of laser pulse action. Theoretical modeling of the processes of laser-NP interaction taking into account temperature dependences of parameters of NPs and environments was carried out. Influence of temperature dependences of these parameters on values and dynamics of the processes is determined.     

Substrate influence in electron-phonon coupling measurements in thin Au films

Accurate understanding and measurement of the energy transfer mechanisms during thermal nonequilibrium between electrons and the surrounding material systems is critical for a wide array of applications. With device dimensions decreasing to sizes on the order of the thermal penetration depth, the equilibration of the electrons could be effected by boundary effects in addition to electron-phonon coupling. In this study, the rate of electron equilibration in 20 nm thick Au films is measured with the Transient ThermoReflectance (TTR) technique. At very large incident laser fluences which result in very high electron temperatures, the electron-phonon coupling factors determined from TTR measurements deduced using traditional models are almost an order of magnitude greater than predicted from theory. By taking excess electron energy loss via electron-substrate transport into account with a proposed three temperature model, TTR electron-phonon coupling factor measurements are more in line with theory, indicating that in highly nonequilibrium situations, the high temperature electron system looses substantial energy to the substrate in addition to that transferred to the film lattice through coupling.     

物理参数变化对短脉冲激光激励温度场的影响

 为研究多物理参数（耦合系数、电子热导率、电子热容、晶格热容）同时随温度变化对短脉冲激光辐照金属材料产生温度场分布的影响,基于双温耦合理论,建立了短脉冲激光辐照金属材料金的加热过程的有限元求解模型。在同时考虑脉冲激光的空间、时间分布和多参数同时随温度变化的情况下,得到短脉冲激光辐照金属材料金激励产生的温度场二维瞬态分布,并进一步比较了多物理参数同时随温度变化和采用室温物理参数两种情况下温度场分布的区别。数值结果表明：多物理参数同时随温度变化使电子温度和晶格温度的上升变快,最大值变大,而且使得材料中激光穿透直接辐照到的区域温度变高。     

High-temperature electronic and thermal properties of icosahedral quasicrystals

We discuss the high-temperature electronic and thermal properties of an icosahedral quasicrystal within the framework of the fractional multicomponent Fermi-surface model. When intervalley electron-phonon scattering sets in above a characteristic temperature T^∗ of the order of the Debye temperature ΘD the quasicrystal becomes more “metallic”. In this regime the electrical conductivity and the electronic contribution to the thermal conductivity vary as T and T², respectively. We predict that at elevated temperatures the electronic specific heat will vary faster than γT and the low-frequency Drude-type component of the optical conductivity σ₁(ω) will gain weight.     

Luminescence in amorphous semiconductors

A review of the luminescence properties of amorphous semiconductors is presented. The materials covered are chalcogenide glasses, silicon and arsenic. Luminescence spectra, excitation spectra, temperature dependences and lifetimes are described.

The radiative transition in chalcogenides is the recombination of an electron in the conduction band tail and a trapped hole. A strong electron-phonon coupling distorts the lattice near the trapped hole, lowering its energy. This interaction is responsible for the broadness of the luminescence band and its position at about half the band gap energy. The recombination centre is thought to be a charged dangling bond with density 10¹⁷ cm^-3 in arsenic chalcogenides and 10¹⁶ cm^-3 in selenium. The same centre is observed in the hole drift mobility, and thermally stimulated conductivity.

Luminescence in amorphous silicon also originates from recombination between the band tails and deep centres, with three separate transitions identified. In contrast to chalcogenides the electron-phonon coupling is not strong. The shape and intensity of the spectra are very sensitive to sample preparation and treatment, and correlate with other electrical and optical properties of Si.     

Theory of the contribution of the electron-phonon interaction to the anisotropic electronic lifetime and transport properties of zine

Using pseudopotential theory for the phonons, electrons, and electron-phonon interaction of zine, we have calculated several electronic properties of this metal. Among these are the electron lifetime at three positions on the Fermi surface, the anisotropic electrical resistivity, the anisotropic thermal conductivity, and the ultrasonic attenuation, all due to the electron-phonon interaction, and all as a function of temperature. For the electrical resistivity, two solutions of the Boltzmann equation were obtained, one consisting of a single spherical harmonic, and the other made up of six spherical harmonics. The single spherical harmonic is not adequate at low temperatures.     

The effect of the electron-phonon coupling on the thermal conductivity of silicon nanowires

The thermal conductivity of free-standing silicon nanowires (SiNWs) with diameters from 1-3?nm has been studied by using the one-dimensional Boltzmann's transport equation. Our model explicitly accounts for the Umklapp scattering process and electron-phonon coupling effects in the calculation of the phonon scattering rates. The role of the electron-phonon coupling in the heat transport is relatively small for large silicon nanowires. It is found that the effect of the electron-phonon coupling on the thermal conduction is enhanced as the diameter of the silicon nanowires decreases. Electrons in the conduction band scatter low-energy phonons effectively where surface modes dominate, resulting in a smaller thermal conductivity. Neglecting the electron-phonon coupling leads to overestimation of the thermal transport for ultra-thin SiNWs. The detailed study of the phonon density of states from the surface atoms and central atoms shows a better understanding of the nontrivial size dependence of the heat transport in silicon nanowire.     

Investigating the range of working temperatures of single-crystal piezoelectric elements based on crystals of the langasite family

The mechanical properties, thermophysical parameters, and thermal stabilities of the phase composition of crystals of the langasite family are studied. The results from examining the temperature dependences of the thermophysical parameters (thermal conductivity, thermal capacity, and thermal expansion coefficient), phase composition, and mechanical strength of crystals allows us to predict the operation of piezodevices based on crystals of the langasite family in the temperature range of 25–1000°С in high-temperature modern sensor acoustic and piezoelectric equipment.     

Use of the temperature peak model for the description of track formation in semiconductor crystals irradiated by fast heavy ions

An attempt to apply the temperature peak model to describe the formation of defects and tracks in semiconductor crystals is made for the first time. The temperature dependences of model parameters, such as specific heat, thermal conductivity, and electron-phonon coupling coefficient are obtained. Agreement between the theoretical results and experimental data for InP and Ge crystals irradiated by ultrafast heavy ions indicates the adequacy of the model, with which one can evaluate the temperature of the local area near the ion trajectory, as well as the diameters of the molten region and experimentally observed track region. The diameter of the cylindrical molten region that forms along the path of 250-MeV Xe⁺ ions in InP is predicted to be 20 nm, and the measured cross-sectional diameters of the tracks fall into the range 7–15 nm.     

A nonlinear thermal spike model for pyrolytic graphite under irradiation with 86Kr and 209Bi high-energy heavy ions

The temperature dependences of the specific heat capacity and thermal conductivity are introduced for a highly oriented pyrolytic graphite; i.e., the nonlinear model of a thermal spike is considered and a comparative analysis of the obtained results and those for the linear model of a thermal spike is performed. The temperature effects observed in the highly oriented pyrolytic graphite with a change in the electron-phonon interaction coefficient g are investigated in detail. It is shown that, under irradiation of the highly oriented pyrolytic graphite by bismuth ions with an energy of 710 MeV, the temperature on the surface of the target within the framework of the nonlinear model can exceed the sublimation temperature, whereas the temperature on the surface of the target under irradiation by krypton ions with an energy of 253 MeV does not exceed the sublimation temperature. The characteristic range of variations in the electron-phonon interaction coefficient g is evaluated. For values of g in this range, the thermal spike model explains the experimental data on the presence of structures in the form of hillocks with craters at their centers on the surface of the highly oriented pyrolytic graphite exposed to irradiation by ²⁰⁹Bi ions and on the absence of such structures in the case of irradiation by ⁸⁶Kr ions.     

Thermal properties of manganese-doped ZnO polycrystalline films

The thermal conductivity and heat capacity of manganese-doped zinc oxide polycrystals have been studied in the temperature range 30–300 K. A substantial influence of the secondary phase or MnO clusters formed as a result of doping on the temperature dependences of thermophysical properties of polycrystalline zinc oxide films has been shown.     

Basic thermophysical parameters of langasite (La3Ga5SiO14), langatate (La3Ta0.5Ga5.5O14), and catangasite (Ca3TaGa3Si2O14) single crystals in a temperature range of 25 to 1000°C

The thermophysical parameters (thermal diffusivity ??, heat conductivity ??, thermal expansion, and specific heat c _p coefficients) of single crystals from the langasite family are investigated in the basic crystallographic directions of X, Y, and Z in temperature range of 300 to 1300 K. The temperature dependences of the parameters are determined. It is found that their anisotropy decreases with temperature.     

Temperature distribution in a film heated with a laser spot: Theory and measurement

For the measurement of the thermal capacity and the thermal conductivity of films, the thermal excitation of the sample is commonly performed by the absorption of light. This results in a spatial and temporal temperature distribution within the film. With a variety of methods static or dynamic temperature recordings are performed.Two problems with these methods are discussed, the calculation of the temperature distribution in the film and the measurement of the mean surface temperature of the film. An analytical solution of the heat conduction problem for a cylindrical geometry with any radial distribution of the absorbed light is given. Resistive bolometers are introduced for the measurement of the mean surface temperature of the film within a circular area. Experiments with a 25 m thick PVDF film give excellent agreement with the theoretical calculations within the modulation frequency range 10^–3 Hz to 10³ Hz, thus allowing a determination of various thermal parameters of the investigated film.     

Analysis of heat capacity of platinum: Electron-phonon effects and anharmonic contribution

The heat capacity results for platinum from 80 to 1000 K, reported in our previous paper, have been analyzed. The contributions of bare electrons and harmonic phonons to the heat capacity have been evaluated from the available data on the band structure and the phonon spectrum of platinum. At low temperatures, the present estimates for the temperature dependence of the electron-phonon enhancement agree qualitatively with those derived from theoretical calculations found in the literature. The anharmonic heat capacity obtained is negative and linear with temperature in the vicinity of the Debye temperature (237 K), and becomes constant above 450 K. The enhancement in the heat capacity above 1000 K has been analyzed and found to be due mainly to the enlargement of the dilation term corresponding to the similar enhancement in the thermal expansion.     

热物性参量对飞秒激光烧蚀金属影响的分子动力学模拟

利用结合双温模型的分子动力学模拟方法,研究了飞秒激光与金属相互作用的烧蚀机制.采用中心波长为800 nm,能量密度从0.043 J·cm~(-2)到0.40 J·cm~(-2)不等,脉宽分别为70 fs和200 fs的激光烧蚀金属镍和铝材料.靶材的温度、原子位型以及内部压力随时间的演化展示了材料热物性参量特性和激光参量对烧蚀结果的影响.结果显示材料电子热传导率对飞秒脉宽激光下的影响仍然较大;对比铝和镍的结果可知,铝的电子晶格耦合系数比镍的小,故电子晶格间的温度梯度持续时间较长;铝的电子热传导系数比镍的大,所以材料上下表面电子温度耦合的时间缩短.铝薄膜表面在能量密度为0.40 J·cm~(-2)激光烧蚀下呈现纳米尺寸的晶体结构.     

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.     

Modeling the Effect of Thermophysical Properties on Pyrolysis of Intumescent Fire-retardant Materials

Thermophysical properties of intumescent fire-retardant (IFR) materials are important input parameters to simulate the pyrolysis process of IFR materials in fire scenarios. In this article, the effects of the thermophysical properties on pyrolysis of IFR materials are simulated based on a pyrolysis model of IFR materials. The selected thermophysical properties here are the specific heat capacity of the virgin material, thermal conductivity of the virgin material and char layer, heat of decomposition, density of virgin material, intumescent temperature, and surface emissivity of virgin material and char layer. Simulated mass loss rates (MLR) for the IFR materials at an incident heat flux of 50 kW/m² are investigated for the varied thermophysical parameter values. The results show that changes in these property values can affect the pyrolysis behavior of materials profoundly. Comparison with experimental results indicates that the simulations of MLR are in reasonably good agreement with the experiments.     

Measurements of electron-phonon coupling factor and interfacial thermal resistance of metallic nano-films using a transient thermoreflectance technique

Using a transient thermoreflectance (TTR) technique,several Au films with different thicknesses on glass and SiC substrates are measured for thermal characterization of metallic nano-films,including the electron-phonon coupling factor G,interfacial thermal resistance R,and thermal conductivity K s of the substrate. The rear heating-front detecting (RF) method is used to ensure the femtosecond temporal resolution. An intense laser beam is focused on the rear surface to heat the film,and another weak laser beam is focused on the very spot of the front surface to detect the change in the electron temperature. By varying the optical path delay between the two beams,a complete electron temperature profile can be scanned. Different from the normally used single-layer model,the double-layer model involving interfacial thermal resistance is studied here. The electron temperature cooling profile can be affected by the electron energy transfer into the substrate or the electron-phonon interactions in the metallic films. For multiple-target optimization,the genetic algorithm (GA) is used to obtain both G and R. The experimental result gives a deep understanding of the mechanism of ultra-fast heat transfer in metals.