scholarly journals Thermal conductivity of silicon doped by phosphorus: ab initio study

2018 ◽  
Vol 35 (4) ◽  
pp. 717-724
Author(s):  
B. Andriyevsky ◽  
W. Janke ◽  
V.Yo. Stadnyk ◽  
M.O. Romanyuk
Keyword(s):  
Thermal Conductivity ◽  
Heat Conductivity ◽  
Phonon Scattering ◽  
Theoretical Calculations ◽  
Doped Semiconductors ◽  
Silicon Crystals ◽  
Coefficient Of Thermal Conductivity ◽  
Silicon Doped ◽  
Scattering Time ◽  
Phosphorus Doped

Abstract An original approach to the theoretical calculations of the heat conductivity of crystals based on the first principles molecular dynamics has been proposed. The proposed approach exploits the kinetic theory of phonon heat conductivity and permits calculating several material properties at certain temperature: specific heat, elastic constant, acoustic velocity, mean phonon scattering time and coefficient of thermal conductivity. The method has been applied to silicon and phosphorus doped silicon crystals and the obtained results have been found to be in satisfactory agreement with corresponding experimental data. The proposed computation technique may be applied to the calculations of heat conductivity of pure and doped semiconductors and isolators.

scholarly journals Теплопроводность цепочки ротаторов с двухбарьерным потенциалом взаимодействия

2021 ◽  
Vol 63 (7) ◽  
pp. 975
Author(s):  
А.П. Клинов ◽  
М.А. Мазо ◽  
В.В. Смирнов
Keyword(s):  
Thermal Conductivity ◽  
Heat Conductivity ◽  
Normal Modes ◽  
Double Barrier ◽  
One Dimensional ◽  
Internal Barrier ◽  
Local Fluctuations ◽  
Small Height ◽  
Coefficient Of Thermal Conductivity ◽  
Height Dependence

The thermal conductivity of a one-dimensional chain of rotators with a double-barrier interaction potential of nearest neighbors has been studied numerically. We show that the height of the "internal" barrier, which separates topologically nonequivalent degenerate states, significantly affects the temperature dependence of the heat conductivity of the system. The small height of this barrier leads to the dominant contribution of the non-linear normal modes at low temperatures. In such a case the coefficient of thermal conductivity turns out to be the risen function of the temperature. The growth of the coefficient is limited by local fluctuations corresponding to jumps over the barriers. At higher values of the internal barrier height, dependence of the heat conductivity on temperature is similar to that of classical rotators.

Effective heat conductivity of Honeycomb (porous) composite panel

2021 ◽  
Vol ahead-of-print (ahead-of-print) ◽  
Author(s):  
Cletus Matthew Magoda ◽  
Jasson Gryzagoridis ◽  
Kant Kanyarusoke
Keyword(s):  
Heat Transfer ◽  
Thermal Conductivity ◽  
Composite Material ◽  
Thermal Properties ◽  
Heat Conductivity ◽  
Composite Panel ◽  
Porous Composite ◽  
Content Type ◽  
One Dimensional ◽  
Coefficient Of Thermal Conductivity

Purpose The purpose of this paper is to validate an assumption of what to use as an effective (steady state) heat transfer coefficient of thermal conductivity for the honeycomb core sandwiched by Fiberglass face sheets composite. A one-dimensional model based on Fourier law is developed. The results are validated experimentally. Design/methodology/approach The results were obtained from the one-dimensional mathematical model of an overall or effective heat conductivity of the Honeycomb composite panel. These results were validated experimentally by applying heat flux on the specimen under controlled environment. The surface temperatures at different voltages were recorded and analysed. The skin of the sandwich composite material used in the investigation was Fiberglass sheet with a thickness of 0.5 mm at the bottom and 1.0 mm at the top surface. Both skins have a stacking sequence of zero degrees. Due to the presence of air cells in the core (Honeycomb), the model considers the conduction, convection and radiation heat transfer, across the thickness of the panel, combined as an effective conduction mode, whose value may be predicted by using the coefficient of thermal conductivity of the air based on the average temperature difference between the two skins. The experimental results for the heat transfer through the thickness of the panel provide validation of this assumption/prediction. Both infrared thermography and conventional temperature measurement techniques (thermocouples) were used to collect the data. Findings The heat transfer experiment and mathematical modeling were conducted. The data obtained were analyzed, and it was found that the effective thermal conductivity was temperature-dependent as expected. The effective thermal conductivity of the honeycomb panel was close to that of air, and its value could be predicted if the panel surface temperatures were known. It was also found that as temperature raised the variation between experimental and predicted effective air conduction raised up. This is because there was an increase in molecular diffusion and vibration. Therefore, the convection heat transfer increased at high temperatures and the air became an insulator. Originality/value Honeycomb composite panels have excellent physical and thermal properties that influence their performance. This study provides an appropriate method in determining thermal conductivity, which is one of the critical thermal properties of porous composite material. This paper also gives useful and practical data to industries that use or manufacture honeycomb composite panels.

Temperature Dependence of the Thermal Conductivity and Phonon Scattering Time of a Bulk GaN Crystal

2002 ◽  
Vol 41 (Part 1, No. 8) ◽  
pp. 5034-5037 ◽  
Author(s):  
Masaru Kamano ◽  
Masanobu Haraguchi ◽  
Takahiro Niwaki ◽  
Masuo Fukui ◽  
Minoru Kuwahara ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Temperature Dependence ◽  
Phonon Scattering ◽  
Bulk Gan ◽  
Gan Crystal ◽  
Scattering Time

THERMAL TRANSPORT OF MgB2 SUPERCONDUCTORS: INTERPLAY BETWEEN ELECTRON AND LATTICE-IMPURITY SCATTERING

2007 ◽  
Vol 21 (26) ◽  
pp. 4517-4536 ◽  
Author(s):  
DINESH VARSHNEY ◽  
M. NAGAR ◽  
K. K. CHOUDHARY
Keyword(s):  
Heat Transfer ◽  
Thermal Conductivity ◽  
Phonon Scattering ◽  
Theoretical Calculations ◽  
Impurity Scattering ◽  
Metallic Phase ◽  
Scattering Mechanism ◽  
S Wave ◽  
Lattice Contribution ◽  
Relaxation Time Approximation

We use the Kubo model to calculate the lattice contribution to the thermal conductivity (κph) in MgB 2 superconductors. The theory is formulated when heat transfer is limited by the scattering of phonons from defects, grain boundaries, charge carriers, and phonons. The lattice thermal conductivity in normal state of MgB 2 superconductors dominates and is an artifact of strong phonon-impurity and -phonon scattering mechanism. Later on, the electronic contribution to the thermal conductivity (κe) is calculated within relaxation time approximation for π and σ band carriers with s wave symmetry. Such an estimate sets an upper bound on κe and is about 30% of the total heat transfer at room temperature. The validity of the Wiedemann Franz law is also examined and an enhanced Lorenz number is obtained. Both these channels for heat transfer are clubbed and κ tot develops a broad peak at about 120 K, before falling off at higher temperatures weakly. The anomalies reported are well-accounted in terms of the scattering mechanism by phonon and electron with impurities. It is shown that the behavior of the thermal conductivity is determined by competition among the several operating scattering mechanisms for the heat carriers and a balance between electron and lattice contributions. The contribution of carriers toward κ is substantial and is due to the fact that the carriers are condensed and do not carry entropy. We include comparisons with other theoretical calculations on κe and available experimental data. The numerical analysis of heat transfer in the metallic phase of MgB 2 shows similar results as those revealed from experiments.

How cerium filling fraction influences thermal factors and magnetism in CeyFe4-xNixSb12.

2000 ◽  
Vol 626 ◽  
Author(s):  
L. Chapon ◽  
D. Ravot ◽  
J.C. Tedenac ◽  
F. Bouree-Vigneron
Keyword(s):  
Thermal Conductivity ◽  
Rare Earth ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Theoretical Calculations ◽  
Filling Fraction ◽  
Rare Earth Atom ◽  
Filled Skutterudites ◽  
Order Of Magnitude ◽  
Mass Fluctuation

Since few years, cerium filled and partially filled skutterudites are intensively studied because they show a wide variety of fundamental and applied properties. One of them consists in high values of thermal factors for rare earth atom in antimony skutterudites [1,2]. Slack suggests [3,4] a incoherent rattling of this ion in the oversized cage “Sb12” surrounding the cerium which affects highly the phonon motion and thus lowers the lattice thermal conductivity (kl). As a rule, the lattice thermal conductivity is decreased by a factor of 5 or greater by filling entirely the voids of the binary filled skutterudites with rare earth atoms [5]. Besides, kl decreases for partially filled compounds in respect with totally filled ones [6,7]. Mass fluctuation mechanism between cerium atom and vacancy is obviously involved as the origin of this last reduction. On that purpose, theoretical calculations [7] demonstrate that the reduction belonging to mass fluctuation mechanism is an order of magnitude lower than the measured decrease. As the mass fluctuation added to the “rattling” on the cerium site is not sufficient to explain such low values of thermal conductivity, another phonon scattering mechanism must exist. In order to find another mechanism we present the influence of the filling fraction of cerium on thermal factors and the temperature dependence of this factor for a partially filled compound.

Lattice Thermal Conductivity Modelling of a Diatomic Nanoscale Material

2020 ◽  
Vol 10 (5) ◽  
pp. 602-609
Author(s):  
Adil H. Awad
Keyword(s):  
Thermal Conductivity ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Correction Term ◽  
Nanoscale Material ◽  
New Approach ◽  
Two Samples ◽  
Conductivity Modelling ◽  
Callaway Model

Introduction: A new approach for expressing the lattice thermal conductivity of diatomic nanoscale materials is developed. Methods: The lattice thermal conductivity of two samples of GaAs nanobeam at 4-100K is calculated on the basis of monatomic dispersion relation. Phonons are scattered by nanobeam boundaries, point defects and other phonons via normal and Umklapp processes. Methods: A comparative study of the results of the present analysis and those obtained using Callaway formula is performed. We clearly demonstrate the importance of the utilised scattering mechanisms in lattice thermal conductivity by addressing the separate role of the phonon scattering relaxation rate. The formulas derived from the correction term are also presented, and their difference from Callaway model is evident. Furthermore their percentage contribution is sufficiently small to be neglected in calculating lattice thermal conductivity. Conclusion: Our model is successfully used to correlate the predicted lattice thermal conductivity with that of the experimental observation.

scholarly journals Scattering Mechanisms and Suppression of Bipolar Diffusion Effect in Bi2Te2.85Se0.15Ix Compounds

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1564
Author(s):  
Jin Hee Kim ◽  
Song Yi Back ◽  
Jae Hyun Yun ◽  
Ho Seong Lee ◽  
Jong-Soo Rhyee
Keyword(s):  
Thermal Conductivity ◽  
Carrier Concentration ◽  
Hall Mobility ◽  
Lattice Distortion ◽  
Phonon Scattering ◽  
Iodine Concentration ◽  
Mean Free Path ◽  
Bandgap Energy ◽  
Diffusion Effect ◽  
Iodine Doping

We investigated the anisotropic thermoelectric properties of the Bi2Te2.85Se0.15Ix (x = 0.0, 0.1, 0.3, 0.5 mol.%) compounds, synthesized by ball-milling and hot-press sintering. The electrical conductivities of the Bi2Te2.85Se0.15Ix were significantly improved by the increase of carrier concentration. The dominant electronic scattering mechanism was changed from the mixed (T ≤ 400 K) and ionization scattering (T ≥ 420 K) for pristine compound (x = 0.0) to the acoustic phonon scattering by the iodine doping. The Hall mobility was also enhanced with the increasing carrier concentration. The enhancement of Hall mobility was caused by the increase of the mean free path of the carrier from 10.8 to 17.7 nm by iodine doping, which was attributed to the reduction of point defects without the meaningful change of bandgap energy. From the electron diffraction patterns, a lattice distortion was observed in the iodine doped compounds. The modulation vector due to lattice distortion increased with increasing iodine concentration, indicating the shorter range lattice distortion in real space for the higher iodine concentration. The bipolar thermal conductivity was suppressed, and the effective masses were increased by iodine doping. It suggests that the iodine doping minimizes the ionization scattering giving rise to the suppression of the bipolar diffusion effect, due to the prohibition of the BiTe1 antisite defect, and induces the lattice distortion which decreases lattice thermal conductivity, resulting in the enhancement of thermoelectric performance.

scholarly journals First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs)

RSC Advances ◽  
2021 ◽  
Vol 11 (25) ◽  
pp. 15486-15496
Author(s):  
Enamul Haque
Keyword(s):  
Thermal Conductivity ◽  
Debye Temperature ◽  
Layered Structure ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Phonon Scattering ◽  
Thermoelectric Performance

The layered structure, and presence of heavier elements Rb/Cs and Sb induce high anharmonicity, low Debye temperature, intense phonon scattering, and hence, low lattice thermal conductivity.

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