Prediction of the Thermal Conductivity of ZnO Nanostructures

2012 ◽  
Vol 134 (4) ◽  
Author(s):  
P. Chantrenne ◽  
C. Ould-Lahoucine
Keyword(s):  
Thermal Conductivity ◽  
Relaxation Time ◽  
Specific Heat ◽  
Phonon Dispersion ◽  
Measurement Data ◽  
Md Simulations ◽  
Bulk Sample ◽  
Time Parameter ◽  
Zno Nanostructures ◽  
Sample Measurement

The kinetic theory of gas is used to predict the specific heat and thermal conductivity of ZnO nanostructures. In this model, phonons are considered as a gas whose basic properties are given by phonon dispersion curves. The model also requires knowledge of the boundary relaxation time parameter (F), the defect relaxation time parameter D, and the relaxation time parameters which take into account lattice anisotropy. These parameters can be determined independently from experimental measurements. Excellent agreements were found when comparing both the estimated specific heat and thermal conductivity to bulk sample measurement data. Comparison with previous results obtained with molecular dynamics (MD) simulations leads to the conclusion that for ultra narrow nanobelts, thermal conductivity depends on their length. Behavior of the thermal conductivity of nanofilms is also studied. The results are consistent with previous works on 1D and 2 D systems. Finally, the thermal conductivity of nanobelts is presented as are the influences of boundary and defect parameters.

Effect of Tensile Strain on Thermal Properties of Graphene

2014 ◽  
Vol 1661 ◽  
Author(s):  
Ayman Salman Alofi ◽  
Gyaneshwar P. Srivastava
Keyword(s):  
Thermal Conductivity ◽  
Relaxation Time ◽  
Thermal Properties ◽  
Specific Heat ◽  
Density Of States ◽  
Tensile Strain ◽  
Phonon Dispersion ◽  
Analytical Expressions ◽  
Vibrational Density ◽  
Phonon Dispersion Relations

ABSTRACTWe have employed a semicontinuum model to investigate the effect of tensile strain on thermal properties of graphene. Analytical expressions derived by Nihira and Iwata for phonon dispersion relations and vibrational density of states are employed, based on the semicontinuum model proposed by Komatsu and Nagamiya. The thermal conductivity is computed within the framework of Callaway’s effective relaxation time theory. It is found that thermal properties of graphene are quite sensitive to tensile strain. In the presence of tensile strain, the specific heat increases but the thermal conductivity decreases.

Thermal Properties of Nanotubes and Nanowires With Acoustically Stiffened Surfaces

2011 ◽  
Author(s):  
Michael F. P. Bifano ◽  
Vikas Prakash
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Specific Heat ◽  
Phonon Dispersion ◽  
Thermal Conductance ◽  
Frequency Equation ◽  
Outer Diameter ◽  
Phonon Confinement ◽  
Maximum Increase ◽  
Acoustic Tuning

A core-shell elasticity model is employed to investigate the effect of a nanowire and nanotube’s increased surface moduli on specific heat, ballistic thermal conductance, and thermal conductivity as a function of temperature. Phonon confinement is analyzed using approximated phonon dispersion relations that result from solutions to the frequency equation of a vibrating rod and tube. The results indicate a maximum 10% decrease in lattice thermal conductivity and ballistic thermal conductance near 160 K for a 10 nm outer diameter nanotube with an inner diameter of 5 nm when the average Young’s Modulus of both the inner and outer free surfaces is increased by a factor of 1.53. In the presence of the acoustically stiffened surfaces, the specific heat of the nanotube is found to decrease by up to 20% at 160 K. Near room temperature, changes in thermal properties are less severe. In contrast, a 10 nm outer diameter nanowire composed of similar material exhibits up to a 12% maximum increase in thermal conductivity at 600 K, a 25% increase in ballistic thermal conductance at 400 K, and a 48% increase in specific heat at 470 K when its outer free surface is acoustically stiffened to the same degree. Our simplified model may be extended to investigate the acoustic tuning of nanowires and nanotubes by inducing surface stiffening or softening via appropriate surface chemical functionalization and coatings.

The role of three-phonon Normal processes in the thermal conductivity of graphene

2012 ◽  
Vol 1404 ◽  
Author(s):  
Ayman Alofi ◽  
Gyaneshwar P. Srivastava
Keyword(s):  
Thermal Conductivity ◽  
Relaxation Time ◽  
Room Temperature ◽  
Phonon Dispersion ◽  
Correction Term ◽  
Single Mode ◽  
Analytical Expressions ◽  
Phonon Dispersion Relations ◽  
Time Theory

ABSTRACTWe have studied the thermal conductivity of graphene using Callaway’s effective relax-ation time theory and by employing analytical expressions for phonon dispersion relations and vibrational density of states based on the semicontinuum model by Nihira and Iwata. It is found that consideration of the momentum conserving nature of three-phonon Normal pro-cesses is very important for explaining the magnitude as well as the temperature dependence of the experimentally measured results. At room temperature, the N-drift contribution (the correction term in Callaway’s theory) provides 94% addition to the result obtained from the single-mode relaxation time theory, clearly suggesting that the single-mode relaxation time approach is inadequate for describing the phonon conductivity of graphene.

Role of Phonon Dispersion in Lattice Thermal Conductivity Modeling

2004 ◽  
Vol 126 (3) ◽  
pp. 376-380 ◽  
Author(s):  
J. D. Chung ◽  
A. J. H. McGaughey ◽  
M. Kaviany
Keyword(s):  
Thermal Conductivity ◽  
Relaxation Time ◽  
Lattice Thermal Conductivity ◽  
Phonon Dispersion ◽  
Phonon Relaxation Time ◽  
Dynamics Simulations ◽  
Transfer Mechanisms ◽  
Conductivity Modeling ◽  
Fitting Parameters

The role of phonon dispersion in the prediction of the thermal conductivity of germanium between temperatures of 2 K and 1000 K is investigated using the Holland approach. If no dispersion is assumed, a large, nonphysical discontinuity is found in the transverse phonon relaxation time over the entire temperature range. However, this effect is masked in the final prediction of the thermal conductivity by the use of fitting parameters. As the treatment of the dispersion is refined, the magnitude of the discontinuity is reduced. At the same time, discrepancies between the high temperature predictions and experimental data become apparent, indicating that the assumed heat transfer mechanisms (i.e., the relaxation time models) are not sufficient to account for the expected thermal transport. Molecular dynamics simulations may be the most suitable tool available for addressing this issue.

Thermal Characterization of Carbon-Carbon Composites

2011 ◽  
Author(s):  
Messiha Saad ◽  
Darryl Baker ◽  
Rhys Reaves
Keyword(s):  
Thermal Conductivity ◽  
Thermal Properties ◽  
Thermal Diffusivity ◽  
Specific Heat ◽  
Critical Role ◽  
Carbon Composite ◽  
Flash Method ◽  
Carbon Composites ◽  
Energy Storage Devices ◽  
Graphitized Carbon

Thermal properties of materials such as specific heat, thermal diffusivity, and thermal conductivity are very important in the engineering design process and analysis of aerospace vehicles as well as space systems. These properties are also important in power generation, transportation, and energy storage devices including fuel cells and solar cells. Thermal conductivity plays a critical role in the performance of materials in high temperature applications. Thermal conductivity is the property that determines the working temperature levels of the material, and it is an important parameter in problems involving heat transfer and thermal structures. The objective of this research is to develop thermal properties data base for carbon-carbon and graphitized carbon-carbon composite materials. The carbon-carbon composites tested were produced by the Resin Transfer Molding (RTM) process using T300 2-D carbon fabric and Primaset PT-30 cyanate ester. The graphitized carbon-carbon composite was heat treated to 2500°C. The flash method was used to measure the thermal diffusivity of the materials; this method is based on America Society for Testing and Materials, ASTM E1461 standard. In addition, the differential scanning calorimeter was used in accordance with the ASTM E1269 standard to determine the specific heat. The thermal conductivity was determined using the measured values of their thermal diffusivity, specific heat, and the density of the materials.

scholarly journals Influence of alkaline modification on selected properties of banana fiber paperbricks

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Abayomi A. Akinwande ◽  
Adeolu A. Adediran ◽  
Oluwatosin A. Balogun ◽  
Oluwaseyi S. Olusoju ◽  
Olanrewaju S. Adesina
Keyword(s):  
Thermal Conductivity ◽  
Heat Capacity ◽  
Specific Heat ◽  
Specific Heat Capacity ◽  
Moisture Absorption ◽  
Water Volume ◽  
Banana Fiber ◽  
Fiber Loading ◽  
Banana Fibers ◽  
Alkaline Modification

AbstractIn a bid to develop paper bricks as alternative masonry units, unmodified banana fibers (UMBF) and alkaline (1 Molar aqueous sodium hydroxide) modified banana fibers (AMBF), fine sand, and ordinary Portland cement were blended with waste paper pulp. The fibers were introduced in varying proportions of 0, 0.5, 1.0 1.5, 2.0, and 2.5 wt% (by weight of the pulp) and curing was done for 28 and 56 days. Properties such as water and moisture absorption, compressive, flexural, and splitting tensile strengths, thermal conductivity, and specific heat capacity were appraised. The outcome of the examinations carried out revealed that water absorption rose with fiber loading while AMBF reinforced samples absorbed lesser water volume than UMBF reinforced samples; a feat occasioned by alkaline treatment of banana fiber. Moisture absorption increased with paper bricks doped with UMBF, while in the case of AMBF-paper bricks, property value was noted to depreciate with increment in AMBF proportion. Fiber loading resulted in improvement of compressive, flexural, and splitting tensile strengths and it was noted that AMBF reinforced samples performed better. The result of the thermal test showed that incorporation of UMBF led to depreciation in thermal conductivity while AMBF infusion in the bricks initiated increment in value. Opposite behaviour was observed for specific heat capacity as UMBF enhanced heat capacity while AMBF led to depreciation. Experimental trend analysis carried out indicates that curing length and alkaline modification of fiber were effective in maximizing the properties of paperbricks for masonry construction.

scholarly journals Thermophysical Properties of Cement Mortar Containing Waste Glass Powder

Crystals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 488
Author(s):  
Oumaima Nasry ◽  
Abderrahim Samaouali ◽  
Sara Belarouf ◽  
Abdelkrim Moufakkir ◽  
Hanane Sghiouri El Idrissi ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Specific Heat ◽  
Thermophysical Properties ◽  
Glass Powder ◽  
Cement Mortar ◽  
Soda Lime ◽  
Waste Glass ◽  
Soda Lime Glass ◽  
Volumetric Specific Heat ◽  
Waste Glass Powder

This study aims to provide a thermophysical characterization of a new economical and green mortar. This material is characterized by partially replacing the cement with recycled soda lime glass. The cement was partially substituted (10, 20, 30, 40, 50 and 60% in weight) by glass powder with a water/cement ratio of 0.4. The glass powder and four of the seven samples were analyzed using a scanning electron microscope (SEM). The thermophysical properties, such as thermal conductivity and volumetric specific heat, were experimentally measured in both dry and wet (water saturated) states. These properties were determined as a function of the glass powder percentage by using a CT-Meter at different temperatures (20 °C, 30 °C, 40 °C and 50 °C) in a temperature-controlled box. The results show that the thermophysical parameters decreased linearly when 60% glass powder was added to cement mortar: 37% for thermal conductivity, 18% for volumetric specific heat and 22% for thermal diffusivity. The density of the mortar also decreased by about 11% in dry state and 5% in wet state. The use of waste glass powder as a cement replacement affects the thermophysical properties of cement mortar due to its porosity as compared with the control mortar. The results indicate that thermal conductivity and volumetric specific heat increases with temperature increase and/or the substitution rate decrease. Therefore, the addition of waste glass powder can significantly affect the thermophysical properties of ordinary cement mortar.

scholarly journals Effects of SiO2 Nanoparticle Dispersion on The Heat Storage Property of the Solar Salt for Solar Power Applications

Energies ◽  
2021 ◽  
Vol 14 (3) ◽  
pp. 703
Author(s):  
Zhao Li ◽  
Liu Cui ◽  
Baorang Li ◽  
Xiaoze Du
Keyword(s):  
Heat Capacity ◽  
Specific Heat ◽  
Specific Heat Capacity ◽  
Heat Storage ◽  
Md Simulations ◽  
Interfacial Thermal Resistance ◽  
Solar Salt ◽  
Salt Ions ◽  
Base Salt ◽  
Storage Property

The effects of SiO2 nanoparticles on the heat storage properties of Solar Salt (NaNO3-KNO3) are studied using experimental and molecular dynamics (MD) simulations. The experiment results show the specific heat capacity of the molten salt-based nanofluids is higher than that of the pure base salt. We focus on the inference regarding the possible mechanisms behind the enhancement of the specific heat capacity which are considered more acceptable by the majority of researchers, the energy and force in the system are analyzed by MD simulations. The results demonstrate that the higher specific heat capacity of the nanoparticle is not the reason leading to the heat storage enhancement. Additionally, the analysis of potential energy and system configuration shows that the other possible mechanisms (i.e., interfacial thermal resistance theory and compressed layer theory) are only superficial. The forces between the nanoparticle atoms and base salt ions construct the constraint of the base salt ions, further forms the interfacial thermal resistance, and the compressed layer around the nanoparticle. This constraint has a more stable state and requires more energy to deform it, leading to the improvement of the heat storage property of nanofluids. Our findings uncover the mechanisms of specific heat capacity enhancement and guide the preparation of molten salt-based nanofluids.

scholarly journals A Molecular Model of PEMFC Catalyst Layer: Simulation on Reactant Transport and Thermal Conduction

Membranes ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 148
Author(s):  
Wenkai Wang ◽  
Zhiguo Qu ◽  
Xueliang Wang ◽  
Jianfei Zhang
Keyword(s):  
Thermal Conductivity ◽  
Proton Exchange Membrane ◽  
Molecular Model ◽  
Phase Interface ◽  
Catalyst Layer ◽  
Md Simulations ◽  
Distribution Functions ◽  
Proton Exchange ◽  
Pt Catalyst ◽  
Reaction Efficiency

Minimizing platinum (Pt) loading while reserving high reaction efficiency in the catalyst layer (CL) has been confirmed as one of the key issues in improving the performance and application of proton exchange membrane fuel cells (PEMFCs). To enhance the reaction efficiency of Pt catalyst in CL, the interfacial interactions in the three-phase interface, i.e., carbon, Pt, and ionomer should be first clarified. In this study, a molecular model containing carbon, Pt, and ionomer compositions is built and the radial distribution functions (RDFs), diffusion coefficient, water cluster morphology, and thermal conductivity are investigated after the equilibrium molecular dynamics (MD) and nonequilibrium MD simulations. The results indicate that increasing water content improves water aggregation and cluster interconnection, both of which benefit the transport of oxygen and proton in the CL. The growing amount of ionomer promotes proton transport but generates additional resistance to oxygen. Both the increase of water and ionomer improve the thermal conductivity of the C. The above-mentioned findings are expected to help design catalyst layers with optimized Pt content and enhanced reaction efficiency, and further improve the performance of PEMFCs.

Sign in / Sign up

Export Citation Format

Share Document