A molecular dynamics simulation: the effect of finite size on the thermal conductivity in a single crystal silicon

Non-equilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal conductivity. The environment-dependent interatomic potential (EDIP) potential on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium and statistical averaging. The simulation results by non-equilibrium molecular dynamics show that the calculated thermal conductivity decreases almost linearly as the film thickness reduced at the nanometre scale. The effect of size on the thermal conductivity is also obtained by a theoretic analysis of the kinetic theory and formulas of the heat capacity. The analysis reveals that the contributions of phonon mean free path (MFP) and phonon number in a finite cell to thermal conductivity are very important.     

Electrophysical properties of the rayleigh three-dimensional model

A new approach to solving the problem of conductivity of composites with a regular structure is suggested that provides a fundamental possibility of analyzing media with arbitrarily shaped inclusions. The conductivity, its derivatives with respect to both arguments, and the two-parameter function entering into the expression for the effective Hall constant are considered using the Rayleigh three-dimensional model, a periodic system with spherical inclusions, as an example. The results of the numerical analysis of general equations obtained in this way are represented in graphic form.     

Investigation of ionic conduction in the mixed AgI-PbI2 system

Study of ionic conductivity in AgI-PbI₂ system has a function of composition and temperature shows that PbI₂ has a definite role in the process of superionic phase transition. It has been found that at 80 mole % of AgI, superionic phase transition temperature passes through a minimum value of as low as 105°C. The maximum conductivity (at room temperature) is also obtained in this region. The results are discussed qualitatively in terms of a lattice loosening model.     

准一维多链无序体系跳跃电导特性

在单电子紧束缚近似下,建立了准一维多链无序体系直流、交流电子跳跃输运模型,通过计算探讨了无序模式、维度效应、温度及外场对其直流、交流电导率的影响.计算结果表明:准一维多链无序体系的直流、交流电导率随着格点能量无序度的增大而减小,非对角无序具有增强体系电子输运能力的作用.随着链数的增加,体系的直流、交流电导率增大,但格点能量无序度较小时,维度效应的影响不明显.在对角无序情况下准一维多链无序体系的交流电导率随温度的升高而增大,而在非对角无序模式下却随温度的升高而减小,但对于直流情况,体系的直流电导率随温度的升     

Conductivity of structurally anisotropic 2D composites

The character of electric conduction in a two-dimensional structurally anisotropic composite containing elliptic inclusions with a large ratio of the semiaxis. Dielectric and ideally conducting inclusions were considered. It was demonstrated that the approximation linear in concentration of inclusions fails beginning from rather small concentrations. The region of intermediate concentrations was studied using approximate methods based on the analogy between electric conductivity and the diffusion of a single particle in a nonuniform medium. The conductivity of the model system under study was analyzed over a wide concentration range with the use of the effective medium theory; the results are in close agreement with those obtained by qualitative methods. The behavior of conductivity near the percolation threshold (metal-to-dielectric phase transition) was examined using the similarity. The conductivity of thin composite films with inclusions in the form of carbon nanotubes was examined, as an example.     

Utilization of the magnetogranulometric analysis to estimate the thermal conductivity of magnetic fluids

In this study, the semi-empirical equation for the effective thermal conductivity of the Holotescu-Stoian model was applied to a set of four dilutions of a transformer oil based magnetic fluid with magnetite nanoparticles as magnetic phase, using the results obtained for the size distributions from the magnetogranulometry analysis, followed by a comparison with the measured values of the effective thermal conductivity obtained by the hot ball method. The link between the size distribution by number and by volume used in the magnetogranulometry analysis and the Holotescu-Stoian model adaptation to the lognormal distribution were presented. The comparison between the results given by the model and the corresponding experimental data showed that by using the approximated size distribution to calculate the effective thermal conductivity the analytical results much closer to the experimental ones are obtained, compared to those given by the Maxwell classical model.     

Enhanced conductivity in ionic conductor-insulator composites: numerical models in two and three dimensions

We describe a two-dimensional (2D) and a three-dimensional (3D) percolation model for ionic conductor-insulator composites such as copper(I) bromide-titanium dioxide (CuBr-TiO₂) or lithium iodide-alumina (LiI-Al₂O₃). These composites present an enhanced conductivity closely related to the insulator concentration. This effect is explained by the formation of highly conducting space charge regions near the phase boundaries which are represented by good conductor bonds. Our numerical model takes into account grain size and correlation effects. The dimension has a leading role for the conduction properties. In the 2D case, the good conductor bonds do not percolate, whatever the insulator concentration, and the maximum conductivity of the composite samples is of the same order as that of the ionic conductor grains. The behavior of the system is very different in the 3D case where, for a large domain of composition, the good conductors percolate through the regions between the conductor grains. For the CuBr-TiO₂ composites the conductivity versus composition curve is bell-shaped. Conversely, in the LiI-Al₂O₃ system, a linear relation between the conductivity and the insulator volume fraction is obtained in the experiments. Our model gives a plausible interpretation of the conductivity in both systems. Received 10 April 2001     

Thermal conductivity in superionic conductors

The contribution of mobile ions to the thermal conductivity in superionic conductors is investigated by making use of the lattice gas model with a hopping term. The thermal conductivity is obtained as a function of an ion concentration and a repulsive interaction energy between the nearest neighbors. It is shown that the contribution of mobile ions to the thermal conductivity is of an Arrhenius type in the usual temperature region in which measurements are conducted.     

Transport properties determinations of the one-dimensional,half-filled band Holstein-Frölich modified Hubbard model

The magnetic susceptibility, electrical conductivity, and specific heat of the Holstein-Fröhlich modified Hubbard model are obtained with the restriction that the chemical potential μ be identically equal to one-half the intra-atomic electronic Coulomb repulsion U. Contributions to the conductivity for all driving frequencies ω are obtained. The specific heat calculation yields electron-phonon interaction corrections, but the susceptibility results are the same as those for the insulator limit Hubbard model.     

Investigation of thermal transport in colloidal silica dispersions (nanofluids)

Thermal conductivity enhancement in colloidal silica dispersions (nanofluids) is investigated experimentally using a novel optical technique. The effects of nanoparticle size, concentration, and state of aggregation are examined. New data on well dispersed systems are compared to published data obtained using the more conventional transient hot-wire technique and good agreement was found. Experimental results are also compared with model predictions for relative thermal conductivity based on effective medium theory. For systems composed of larger diameter nanoparticles (~30 nm), good agreement was found between the measured thermal conductivity enhancement and that predicted by the classical Maxwell-Garnett model. For systems composed of smaller nanoparticles (∼10 and 20 nm), thermal conductivity enhancement was reduced by as much as 10%, presumably because interfacial thermal resistance effects become important. Measurements on two systems that were induced to form gels exhibited an increase in thermal conductivity of approximately 5% relative to the well-dispersed systems. The observed increase in thermal conductivity is larger than that predicted by a recently proposed model for aggregated nanofluids.     

激光辐照InSb（PV）型探测器的温升计算

用一维热传导模型计算得出了激光辐照下InSb(PV)型探测器p-n结处的温升变化。计算和讨论了胶层的热传导率、厚度对激光破坏阈值及热恢复时间的影响。指出选用大热导率的胶并使胶层尽可能薄是提高探测器抗激光性能的有效方法。     

The thermophysical properties of low‐temperature Pb plasma

The thermophysical properties of low‐temperature Pb plasma are calculated at temperatures 10–100 kK and densities below 0.2 of the solid‐state value. The thermodynamic values (pressure and internal energy) and transport coefficients (electrical conductivity, thermal conductivity, and thermal power) are considered. The plasma composition and thermodynamic parameters are obtained within the chemical approach, namely by means of the solution of the corresponding system of the coupled mass action law equations. Atom ionization up to +4 is taken into consideration. The electronic transport coefficients are calculated within the relaxation time approximation. The results obtained by means of the present model are compared with the available data of other models and experiments.     

Thermospin effects in parallel coupled double quantum dots in the presence of the Rashba spin-orbit interaction and Zeeman splitting

The thermoelectric and the thermospin transport properties,including electrical conductivity,Seebeck coefficient,thermal conductivity,and thermoelectric figure of merit,of a parallel coupled double-quantum-dot Aharonov-Bohm interferometer are investigated by means of the Green function technique.The periodic Anderson model is used to describe the quantum dot system,the Rashba spin-orbit interaction and the Zeeman splitting under a magnetic field are considered.The theoretical results show the constructive contribution of the Rashba effect and the influence of the magnetic field on the thermospin effects.We also show theoretically that material with a high figure of merit can be obtained by tuning the Zeeman splitting energy only.     

Thermospin effects in parallel coupled double quantum dots in the presence of the Rashba spinben orbit interaction and Zeeman splitting

The thermoelectric and the thermospin transport properties, including electrical conductivity, Seebeck coefficient, thermal conductivity, and thermoelectric figure of merit, of a parallel coupled double-quantum-dot Aharonov-Bohm interferometer are investigated by means of the Green function technique. The periodic Anderson model is used to describe the quantum dot system, the Rashba spin-orbit interaction and the Zeeman splitting under a magnetic field are considered. The theoretical results show the constructive contribution of the Rashba effect and the influence of the magnetic field on the thermospin effects. We also show theoretically that material with a high figure of merit can be obtained by tuning the Zeeman splitting energy only.     

The Influence of Bound States on the Electrical Conductivity of a Partially Ionized Plasma (Born Approximation)

The partially ionized plasma is described by a model Hamiltonian containing bound (localized) as well as orthogonalized free (itinerant) electron states. The equations of balance for the single particle states are given, and the correlation functions arising in the equations of balance are treatet in the Born approximation. The conductivity is obtained with the aid of the Kohler variational principle. The electron density dependence of the conductivity is presented for different values of the bound state energy level and of the temperature.     

新型导热塑料在蓄冰过程中的传热性能研究

在冰蓄冷空调系统中 ,载冷剂乙二醇溶液的腐蚀性对金属换热管道工作的长期稳定性产生严重影响 ,文中提出采用新型导热塑料来代替传统的金属管道。为了论证导热塑料的可行性 ,对在冰盘管蓄冰槽的蓄冰过程中 ,导热塑料的热导率对其传热性能的影响进行研究。建立了盘管蓄冰过程的物理数学模型 ,求出蓄冰时间随盘管材料热导率的变化曲线 ,并对三种盘管材料对盘管传热性能的影响作出比较 ,认为新型导热塑料制成的冰盘管具有较大的优越性 ,可在工程实际中采用。     

Quantum hall effect in an antidot lattice: Macroscopic limit

The quantum Hall effect in a 2D system with antidots is studied. The antidots are assumed to be large compared with the quantum and relaxation lengths. In this approximation the electric field in the system can be described by the continuity equation. It is found that the electric field in a system without conducting boundaries can be expressed in terms of the same system without a magnetic field. Specific problems of the electric field and current in structures containing one or two antidots and in a circular disk with point contacts are solved. The effective Hall and longitudinal conductivities in a sample containing a large number of randomly distributed antidots are found. In the limit of zero local longitudinal conductivity, the effective longitudinal conductivity also vanishes, and the Hall conductivity is equal to the local conductivity. The corrections to the conductivity tensor which are due to the finiteness of the local conductivity are obtained. Breakdown of the quantum Hall effect in a lattice of antidots is studied on the basis of the assumption that a high current density in narrow locations of the system results in overheating of the electrons. Local and nonlocal models of over-heating are studied. The high-frequency effective conductivity of a system with antidots and the shift of the cyclotron resonance frequency are found.     

一维二元非对角关联无序体系跳跃电导特性

在单电子紧束缚无序模型基础上，建立了一维二元关联无序体系电子跳跃输运直流电导模型，并推导了其直流电导公式，通过计算其直流电导率，探讨了格点能量无序度、非对角关联及温度、外场对体系跳跃电导的影响.计算结果表明，一维二元无序体系的直流电导率随着格点能量无序度的增大而减小；当引入非对角关联时，体系出现退局域化现象，从而使体系的直流电导率增大；温度对体系的电子输运的影响表现为体系的直流电导率随温度的升高而增大；在外加电场的调制下，体系的直流电导率在强场区随电场强度增加而增长很快，呈现出非欧姆定律特性，但在弱场区外场的作用不明显. 关键词： 二元无序体系 跳跃电导 格点能量无序度 非对角关联     

带状电缆的直流X射线辐照响应

对真空环境下带状电缆模型直流X射线辐照响应进行了实验和数值模拟研究;研制了电缆直流X射线辐照实验系统;使用蒙特卡罗模拟软件计算了直流X光机产生的X射线能谱、通量等参数;建立了带状电缆X射线辐照响应一维计算模型,该计算模型包括电缆导体与介质层间隙和介质层电导率模型。实验测量了两个带状电缆模型的直流X射线辐照响应电流波形,并对其进行了数值模拟。结果显示,在一定的电缆导体与介质层间隙大小假设条件下,采用带状电缆X射线辐照响应计算模型计算的结果与实验测量结果在波形特征和绝对幅度方面比较接近,说明了利用该模型描述电缆直流X射线辐照响应具有其合理性。