Thermal Conductivity of Zinc Oxide: From Green to Sintered State

Olorunyolemi, Tayo; Birnboim, A.; Carmel, Y.; Wilson, Otto C.; Lloyd, Isabel K.; Smith, Stephen; Campbell, Rob

doi:10.1111/j.1151-2916.2002.tb00253.x

Cited by 102 publications

(62 citation statements)

References 22 publications

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“…Wurtzite zinc oxide (ZnO) is another well-characterized system. Olorunyolemi et al 91 and Barrado et al 92 reported κ ' of polycrystalline ZnO with an average particle size of 20 and 1000 nm, respectively. AAPL, performed with average grain size of 500 nm, is in very good agreement with the experimental results capturing the effects of the grain boundaries' scattering (Fig.…”

Section: Validation With Experimentsmentioning

confidence: 99%

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

et al. 2017

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One of the most accurate approaches for calculating lattice thermal conductivity, κ ' , is solving the Boltzmann transport equation starting from third-order anharmonic force constants. In addition to the underlying approximations of ab-initio parameterization, two main challenges are associated with this path: high computational costs and lack of automation in the frameworks using this methodology, which affect the discovery rate of novel materials with ad-hoc properties. Here, the Automatic Anharmonic Phonon Library (AAPL) is presented. It efficiently computes interatomic force constants by making effective use of crystal symmetry analysis, it solves the Boltzmann transport equation to obtain κ ' , and allows a fully integrated operation with minimum user intervention, a rational addition to the current high-throughput accelerated materials development framework AFLOW. An "experiment vs. theory" study of the approach is shown, comparing accuracy and speed with respect to other available packages, and for materials characterized by strong electron localization and correlation. Combining AAPL with the pseudo-hybrid functional ACBN0 is possible to improve accuracy without increasing computational requirements.

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Section: Validation With Experimentsmentioning

confidence: 99%

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

et al. 2017

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“…At t = 0 the surface temperature at z = 0 is instantaneously raised to a constant temperature T S . Using the results of measurements of the thermal conductivity in ZnO [3], we can formulate the problem by writing…”

Section: · Heat Transfer In Znomentioning

confidence: 99%

“…This article aims to show that Bürmann's theorem can serve as a powerful tool for gaining approximations fulfilling such demands. We have chosen canonical examples [1,2,3] from the field of linear and nonlinear heat transfer to illustrate this technique.…”

Section: ‡ Introductionmentioning

confidence: 99%

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On Bürmann’s Theorem and Its Application to Problems of Linear and Nonlinear Heat Transfer and Diffusion

Schöpf¹,

Supancic²

2014

TMJ

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This article presents a compact analytic approximation to the solution of a nonlinear partial differential equation of the diffusion type by using Bürmannʼs theorem. Expanding an analytic function in powers of its derivative is shown to be a useful approach for solutions satisfying an integral relation, such as the error function and the heat integral for nonlinear heat transfer. Based on this approach, series expansions for solutions of nonlinear equations are constructed. The convergence of a Bürmann series can be enhanced by introducing basis functions depending on an additional parameter, which is determined by the boundary conditions. A nonlinear example, illustrating this enhancement, is embedded into a comprehensive presentation of Bürmannʼs theorem. Besides a recursive scheme for elementary cases, a fast algorithm for multivalued Bürmann expansions and inverse functions is developed using integer partitions. The present approach facilitates the search for expansions of analytic functions superior to commonly used Taylor series and shows how to apply these expansions to nonlinear PDEs of the diffusion type.

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“…[16] The bulk value of s for ZnO equal to 0.1 J m À2 is used. [17] The dependence of S on the reactor temperature is shown in Figure 1b. It can be noticed that the partial pressure of ZnO monomer ( p) becomes constant after 500 8C.…”

mentioning

confidence: 98%

A Novel Approach for Chemical Vapor Synthesis of ZnO Nanocrystals: Optimization of Yield, Crystallinity

Ali

Friedenberger

Spasova

et al. 2009

Chemical Vapor Deposition

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The experimental yield of ZnO nanocrystals decreases drastically with increasing reactor temperature in a typical chemical vapor synthesis (CVS) of ZnO nanocrystals from diethylzinc. A novel CVS set-up -a microwave plasma combined with a hotwall zone -is described to minimize the loss of particles at higher reactor temperatures. The powder samples have been characterized by transmission electron microscopy (TEM) and X-ray diffraction (XRD). It is observed that the synthesis set-up and reaction temperature have substantial influence not only on yield but also on crystallite size and crystallinity of the pure wurtzite-type ZnO nanocrystals. The lattice constants of ZnO nanocrystals increase with decreasing crystallite size. Defect densities (twin and stacking faults), as well as microstrain, decrease with increasing reactor temperature, whereas crystallinity increases.

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Thermal Conductivity of Zinc Oxide: From Green to Sintered State

Cited by 102 publications

References 22 publications

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

On Bürmann’s Theorem and Its Application to Problems of Linear and Nonlinear Heat Transfer and Diffusion

A Novel Approach for Chemical Vapor Synthesis of ZnO Nanocrystals: Optimization of Yield, Crystallinity

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