Baric and temperature dependences for the thermal conductivity of sedimentary rocks

The effective thermal conductivity of secondary rocks (sandstone, dolomite, aleurolite) is studied under high pressures of up to 400 MPa and temperatures of 273–523 K. It is established that the temperature and baric functions of thermal conductivity depend substantially on the degree of crystallization and the mosaicity of rock-forming compounds.     

Lattice thermal conductivity of polyvinyl acetate at low temperatures

The lattice thermal conductivity of a non-crystalline polymer has been studied at low temperatures in the frame of the density fluctuation model by calculating the total lattice thermal conductivity of polyvinyl acetate in the temperature range 0.1–4K as an example and a very good agreement has been reported between the calculated and the experimental values of the lattice thermal conductivity in the entire temperature range of study. It is also found that at low temperatures, the lattice thermal resistivity of a non-crystalline polymer is mainly due to scattering of phonons by empty spaces.     

Role of thermal conduction in single-bubble cavitation

Effect of thermal conduction on radiation from a single cavitating bubble has been studied in a hydrochemical framework including variation of heat conductivity of noble gases up to 2500 K. Results of numerical simulation show that thermal conductivity plays an important role in determining ultimate cavitation temperature. Higher thermal conductivity of lighter noble gases causes to more thermal dissipation during the bubble collapse, leading to a lower peak temperature. Moreover, at the same driving conditions, radius of light emitting region is greater for heavier noble bubbles. Therefore, sonoluminescence radiation is more intensive from heavier noble gases. Phase diagrams of single-bubble sonoluminescence have also been calculated and in comparison with available experimental data, there is a relatively good agreement between the theory and experiment for noble gases.     

Ab initio calculations of thermal conductivity of metals with hot electrons

Warm dense matter (WDM) is a state of a substance with a solid-state density and temperature from 1 to 100 eV. Researchers believe that such a state exists in the cores of giant planets. Investigation of WDM is important for some applications, such as surface treatment on the nanometer scale, laser ablation, and the formation of the plasma sources of the X-ray radiation into the inertial synthesis. In this study, the conductivity and the thermal conductivity are calculated based on density functional theory and the Kubo-Greenwood theory. This approach was already used to simulate the transport properties in a broad range of densities and temperatures, and its efficiency has been demonstrated. The conductivity and the thermal conductivity of aluminum and gold are investigated. Both the isothermal state, when the electron temperature equals the ion temperature, and the two-temperature state, when the electron temperature exceeds the ion temperature, are considered. The calculations were performed for a solid body and liquid in the range of electron temperatures from 0 to 6 eV.     

Experimental and theoretical studies on high-temperature thermal properties of fibrous insulation

In the present paper, an experimental apparatus has been developed to measure heat transfer through high-alumina fibrous insulation for thermal protection system. Effective thermal conductivities of the fibrous insulation were measured over a wide range of temperature (300-973 K) and pressure (10⁻²-10⁵ Pa) using the developed apparatus. The specific heat and the transmittance spectra in the wavelength range of 2.5-25 μm were also measured. The spectral extinction coefficients and Rosseland mean extinction coefficients were obtained from transmittance data at various temperatures to investigate the radiative heat transfer in fibrous insulation. A one-dimensional finite volume numerical model combined radiation and conduction heat transfer was developed to predict the behavior of the effective thermal conductivity of the fibrous insulation at various temperatures and pressures. The two-flux approximation was used to model the radiation heat transfer through the insulation. The experimentally measured specific heat and Rosseland mean extinction coefficients were used in the numerical heat transfer model to calculate the effective thermal conductivity. The average deviation between the numerical results for different values of albedo of scattering and the experimental results was investigated. The numerical results for ω=1 and experimental data were compared. It was found that the calculated values corresponded with the experimental values within an average of 13.5 percent. Numerical results were consistent with experimental results through the environmental conditions under examination.     

辐照损伤对钨晶格热导率影响的分子动力学研究

钨是最具应用前景的面向等离子体候选材料,但核聚变堆内强烈的辐照环境会使钨的近表面区域产生辐照损伤,进而影响其关键的导热性能.本文构建了包含辐照损伤相关缺陷的晶体钨模型,并采用非平衡分子动力学的方法定量研究了这些缺陷对钨导热性能的影响.结果表明,随中子辐射能量的增加,晶体内部留下的Frenkel缺陷数目增多进而导致钨的晶格热导率降低;间隙原子比空位更易于向晶界偏聚,且钨中的间隙钨原子与空位相比,使晶格热导率下降程度更大.纳米级氦气泡导致晶格热导率的显著降低,气孔率为2.1%时晶格热导率降至完美晶体的约25%.这些不同的缺陷造成不同程度的周围晶格扭曲,增加了声子散射几率,是导致晶格热导率下降的根源.     

Investigating the thermal conductivity of materials by analyzing the temperature distribution in diamond anvils cell under high pressure

Investigating the thermal transport properties of materials is of great importance in the field of earth science and for the development of materials under extremely high temperatures and pressures. However, it is an enormous challenge to characterize the thermal and physical properties of materials using the diamond anvil cell (DAC) platform. In the present study, a steady-state method is used with a DAC and a combination of thermocouple temperature measurement and numerical analysis is performed to calculate the thermal conductivity of the material. To this end, temperature distributions in the DAC under high pressure are analyzed. We propose a three-dimensional radiative-conductive coupled heat transfer model to simulate the temperature field in the main components of the DAC and calculate in situ thermal conductivity under high-temperature and high-pressure conditions. The proposed model is based on the finite volume method. The obtained results show that heat radiation has a great impact on the temperature field of the DAC, so that ignoring the radiation effect leads to large errors in calculating the heat transport properties of materials. Furthermore, the feasibility of studying the thermal conductivity of different materials is discussed through a numerical model combined with locally measured temperature in the DAC. This article is expected to become a reference for accurate measurement of in situ thermal conductivity in DACs at high-temperature and high-pressure conditions.     

Effect of thermal conductivity on ultrasonic attenuation in praseodymium monochalcogenides

The ultrasonic attenuation in intermetallic praseodymium monochalcogenides are evaluated in the temperature interval 100–500 K along the crystallographic directions 〈100〉, 〈110〉, and 〈111〉 for longitudinal and shear waves. A comparison has been made with lanthanum monochalcogenides and other similar materials. Ultrasonic attenuation at different temperatures is mainly affected by the lattice thermal conductivity values of the materials at these temperatures. Thermoelastic loss is very small in comparison to the attenuation due to phonon-phonon interaction mechanism at higher temperatures.     

Effect of dispersion on the phonon focusing and anisotropy of thermal conductivity of silicon single crystals in the boundary scattering regime

The effect of dispersion on the focusing of thermal phonons and on the thermal conductivity of silicon single crystals in the boundary scattering regime has been investigated. Analysis of the spectra of acoustic modes obtained for silicon single crystals from inelastic neutron scattering data has demonstrated that, upon transition from long-wavelength phonons to short-wavelength phonons, the directions of their focusing change. With an increase in temperature, this leads to a change in the anisotropy of thermal conductivity of phonons with different polarizations and, consequently, to a change in the anisotropy of the total thermal conductivity. Analysis of the temperature dependence of the thermal conductivity has revealed that the presence of extended flattened sections in the spectrum of short-wavelength transverse phonons indicates anomalously low values of the group velocity and, accordingly, a significant decrease in the contribution from these phonons to the thermal conductivity with increasing temperature. The contribution from longitudinal phonons to the thermal conductivity also significantly increases even at temperatures higher than 110 K and becomes dominant.     

钨/石墨烯/钨面向等离子体复合材料力学与热学及耐辐照性能衰减的第一性原理计算

通过第一性原理计算研究了钨/石墨烯/钨复合材料相比于纯钨金属在力学与热学性质方面的变化,并用氦原子-空位缔合缺陷模拟核聚变辐照损伤评估等离子体辐照条件下的性能。计算结果表明：钨/石墨烯/钨复合材料的体积弹性模量、杨氏模量与剪切模量呈现一定程度的下降,但是提升了钨基材料的延展性;钨/石墨烯/钨复合材料的热膨胀系数有所增加,但是具有较高的最小热导率。本文阐述了石墨烯界面层可以对基体杂质与缺陷进行吸附的独特机制,通过这种机制,钨/石墨烯/钨复合材料在力学、热膨胀系数以及最小热导率有更低程度的衰减,这显示了钨/石墨烯/钨复合材料在抗辐照性能方面具有较大的应用潜力。     

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.     

Thermal conductivity and thermal diffusivity of the R134a refrigerant in the liquid state

Thermal conductivity and thermal diffusivity of “ozone-safe” refrigerant R134a in liquid state within the range of temperatures 295.9–354.9 K and pressures from the liquid — vapor equilibrium line up to 4.08 MPa have been studied by high-frequency thermal-wave method. The experimental uncertainties of the temperature, pressure, thermal conductivity and thermal diffusivity measurement errors were estimated to be 0.1 K, 3 kPa, 1.5 and 2.5 %, respectively. Values of thermal conductivity and thermal diffusivity of liquid R134a on saturated line have been calculated. Approximation dependences for thermal conductivity and thermal diffusivity within the whole studied range of temperatures and pressures as well as on the saturated line have been obtained. The work was financially supported by the Russian Foundation for Basic Research (grant No. 07-08-00295-a).     

Contribution to the lattice thermal conductivity due to the correction term in the frame of the generalized callaway integral: Application to Ge

The contribution to the lattice thermal conductivity due to the correction term (due to the three phonon normal processes) has been studied at very low temperatures in the frame of the generalized Callaway integral by deriving analytical expressions for it. The contribution of the correction term towards total phonon conductivity of Ge has been calculated in the temperature range 1–5 K and negligible contribution is found due to it.     

Specific heat and thermal conductivity of low-stress amorphous Si-N membranes

We present values of the specific heat and thermal conductivity from 3-300 K of low-stress amorphous silicon-nitride thin-films determined from measurements using a membrane-based microcalorimeter. The thermal conductivity has a temperature dependence often seen in amorphous solids, but the magnitude is large, with the expected plateau occurring at significantly higher temperatures than seen in other amorphous systems. Specific heat measurements show that the expected ‘peak’ in the vibrational spectrum also occurs at relatively high temperatures. The estimated phonon mean-free-path at 300 K is ≈5 Å, comparable to the inter-atomic spacing, as seen in other amorphous solids. Below ≈ 20 K the mean free path is comparable to or exceeds the thickness of the membrane, indicating that surface scattering dominates the thermal transport. This surface scattering is found to be either specular or diffuse, depending on details of the membrane processing, which affects both the thermal conductivity and specific heat below 10 K.     

Simultaneous determination of specific heat,thermal conductivity and thermal diffusivity at low temperature via the photopyroelectric technique

The photopyroelectric effect has been used to measure simultaneously specific heat (c), thermal conductivity (k) and thermal diffusivity () at low temperatures. A calibration procedure which allows the use of a pyroelectric transducer at low temperatures is described. Simultaneous measurements of c, k, and over a high T _c superconducting phase transition are reported.     

Effect of pressure and temperature on the thermal conductivity of siltstone and dolomite

The effective thermal conductivity of rocks (siltstone and dolomite) at high pressures of up to 250 MPa and temperatures of 275–523 K is investigated. It is established that the degree of crystallization of rock-forming substances affects the temperature dependence of thermal conductivity. The thermal conductivity of amorphous and crystalline components in the structure of rock is calculated.     

Considerable increase in thermal conductivity of a polycrystalline CVD diamond upon isotope enrichment

We measured the temperature dependence of thermal conductivity of a polycrystalline CVD diamond with natural isotope composition and an isotope enriched (99.96% ¹²C) sample at temperatures from 5 to 420 K. The isotope enriched diamond demonstrates a considerable growth of thermal conductivity at temperatures above 80 K compared to the diamond with natural composition of isotopes. At room temperature the thermal conductivity reaches 24.3 W·cm^?1K^?1, and the isotope effect makes up not less than 34%.     

Temperature dependence of the thermal conductivity of water: a molecular dynamics simulation study using the SPC/E model

In this study, molecular dynamics simulations of SPC/E (extended simple point charge) water model have been carried out in the canonical (NVT fixed) ensemble over the range of temperatures 300–550 K with Ewald summation. The evaluated thermal conductivity for SPC/E water overestimates the experimental data at 300–550 K. In accordance with experimental data, SPC/E predicts a maximum in the thermal conductivity at 400 K. The temperature dependence of thermal conductivity of SPC/E water was discussed.     

An experimental correlation approach for predicting thermal conductivity of water-EG based nanofluids of zinc oxide

In this study, the effects of temperature (20 °C<T<50 °C) and volume fracti°n (0<φ<4%) on the thermal conductivity of zinc oxide/ethylene glycol-water nanofluid have been presented. Nanofluid samples were prepared by a two-step method and thermal conductivity measurements were performed by a KD2 pro instrument. Results showed that the thermal conductivity increases uniformly with increasing solid volume fraction and temperature. The results also revealed that the thermal conductivity of nanofluids significantly increases with increasing solid volume fraction at higher temperatures. Moreover, it can be seen that for more concentrated samples, the effect of temperature was more tangible. Experimental thermal conductivity enhancement of the nanofluid in comparison with the Maxwell model indicated that Maxwell model was unable to predict the thermal conductivity of the present nanofluid. Therefore, a new correlation was presented for predicting the thermal conductivity of ZnO/EG-water nanofluid.     

Phonon focusing and temperature dependences of the thermal conductivity of silicon nanowires

The influence of phonon focusing on the anisotropy and temperature dependences of the thermal conductivity of silicon nanowires (NWs) has been studied using the three-mode Callaway theory. The calculated temperature dependences of the thermal conductivity of silicon NWs with diameters above 50 nm agree well with experimental data in the 20–300 K range. The temperatures of transitions from the boundary-scattering to volume-relaxation mechanisms are determined. Variation of the thermal conductivity anisotropy depending on temperature is analyzed. The free paths of phonons with various polarizations in the boundary scattering regime in silicon NWs significantly differ and depend to a considerable degree on the phonon focusing. The free paths reach maxima in the directions of phonon focusing and exceed values for other oscillatory modes. However, in the isotropic medium model, the phonon free paths for various polarizations coincide and are fully determined by the geometric parameters of NWs.