Showing papers on "Thermal expansion published in 2011"

An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids

Abstract: The thermodynamic properties of 254 end-members, including 210 mineral end-members, 18 silicate liquid end-members and 26 aqueous fluid species are presented in a revised and updated internally consistent thermodynamic data set. The PVT properties of the data set phases are now based on a modified Tait equation of state (EOS) for the solids and the Pitzer & Sterner (1995) equation for gaseous components. Thermal expansion and compressibility are linked within the modified Tait EOS (TEOS) by a thermal pressure formulation using an Einstein temperature to model the temperature dependence of both the thermal expansion and bulk modulus in a consistent way. The new EOS has led to improved fitting of the phase equilibrium experiments. Many new end-members have been added, including several deep mantle phases and, for the first time, sulphur-bearing minerals. Silicate liquid end-members are in good agreement with both phase equilibrium experiments and measured heat of melting. The new dataset considerably enhances the capabilities for thermodynamic calculation on rocks, melts and aqueous fluids under crustal to deep mantle conditions. Implementations are already available in thermocalc to take advantage of the new data set and its methodologies, as illustrated by example calculations on sapphirine-bearing equilibria, sulphur-bearing equilibria and calculations to 300 kbar and 2000 °C to extend to lower mantle conditions.

Negative thermal expansion coefficient of graphene measured by Raman spectroscopy.

Abstract: The thermal expansion coefficient (TEC) of single-layer graphene is estimated with temperature-dependent Raman spectroscopy in the temperature range between 200 and 400 K. It is found to be strongly dependent on temperature but remains negative in the whole temperature range with a room temperature value of (−8.0 ± 0.7) × 10–6 K–1. The strain caused by the TEC mismatch between graphene and the substrate plays a crucial role in determining the physical properties of graphene, and hence its effect must be accounted for in the interpretation of experimental data taken at cryogenic or elevated temperatures.

Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer

Abstract: The unusual property of negative thermal expansion is of fundamental interest and may be used to fabricate composites with zero or other controlled thermal expansion values. Here we report that colossal negative thermal expansion (defined as linear expansion <-10(-4) K(-1) over a temperature range ~100 K) is accessible in perovskite oxides showing charge-transfer transitions. BiNiO(3) shows a 2.6% volume reduction under pressure due to a Bi/Ni charge transfer that is shifted to ambient pressure through lanthanum substitution for Bi. Changing proportions of coexisting low- and high-temperature phases leads to smooth volume shrinkage on heating. The crystallographic linear expansion coefficient for Bi(0.95)La(0.05)NiO(3) is -137×10(-6) K(-1) and a value of -82×10(-6) K(-1) is observed between 320 and 380 K from a dilatometric measurement on a ceramic pellet. Colossal negative thermal expansion materials operating at ambient conditions may also be accessible through metal-insulator transitions driven by other phenomena such as ferroelectric orders.

Adjustable Zero Thermal Expansion in Antiperovskite Manganese Nitride

Abstract: A universal mechanism that controls the zero thermal expansion (ZTE) behavior of the antiperovskite manganese nitrides is discovered Modulating the Mn occupancy at its lattice sites leads to a drastic change in the thermal expansion behavior The Mn site occupancy can be reduced by nanostructuring the material, generating a form of "giant" ZTE

Negative Linear Compressibility and Massive Anisotropic Thermal Expansion in Methanol Monohydrate

Abstract: The vast majority of materials shrink in all directions when hydrostatically compressed; exceptions include certain metallic or polymer foam structures, which may exhibit negative linear compressibility (NLC) (that is, they expand in one or more directions under hydrostatic compression). Materials that exhibit this property at the molecular level-crystalline solids with intrinsic NLC-are extremely uncommon. With the use of neutron powder diffraction, we have discovered and characterized both NLC and extremely anisotropic thermal expansion, including negative thermal expansion (NTE) along the NLC axis, in a simple molecular crystal (the deuterated 1:1 compound of methanol and water). Apically linked rhombuses, which are formed by the bridging of hydroxyl-water chains with methyl groups, extend along the axis of NLC/NTE and lead to the observed behavior.

Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF 3

Abstract: Cubic scandium trifluoride (ScF_3) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF3 from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO_9 structure of ScF_3, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.

Site-Specific CO2 Adsorption and Zero Thermal Expansion in an Anisotropic Pore Network

Abstract: Detailed neutron powder diffraction (NPD) experiments were carried out on the parent and CO2 adsorbed Mg-MOF-74 (MOF: metal–organic framework). Data collected at low temperature revealed two CO2 adsorption sites on the pore surface and multiple changes in the framework as a function of CO2 loading. Upon heating the samples to room temperature, the data revealed minimal changes in expansivity upon adsorption of up to 0.94 CO2/Mg (≈ 25% mass fraction). Further, temperature-dependent data collected on the bare framework reveals net zero thermal expansion between 10 and 475 K.

Development of epoxy/BN composites with high thermal conductivity and sufficient dielectric breakdown strength partI - sample preparations and thermal conductivity

Abstract: The aim of this research is to find a way to achieve the epoxy composites with both high thermal conductivity and acceptable dielectric breakdown (BD) strength. As high thermal conductivity, low permittivity and low thermal expansion coefficient of filler can endow composite with higher thermal conductivity, higher BD strength and lower thermal expansion coefficient respectively, BN (boron nitride) with high thermal conductivity, low permittivity and low thermal expansion coefficient was adopted as main filler in the research. Thermal conductivity was investigated in this part. The BD strength of samples will be discussed in Part II. Neat epoxy and other 25 kinds of epoxy/BN composites were prepared by a hot press method. Most of BN fillers were surface modified with silane coupling agent through ethanol/water reflux method to improve thermal conductivity. The values of 2.91 W/m·K, 3.95 W/m·K and 10.1 W/m·K as thermal conductivity were obtained for the composites that was single-loaded with h-BN(hexagonal boron nitride), c-BN (cubic boron nitride) or conglomerated h-BN, respectively. They were further improved to 5.26 W/m·K, 5.94 W/m·K and 12.3 W/m·K, respectively, by adding extra smaller A1N (aluminum nitride) to fill the voids in sample. Thermal conductivity of samples changes with the ratio of c-BN and h-BN when c-BN and h-BN were co-loaded. A value of 5.74 W/m·K as maximum was obtained at their ratio of 1 to 1 when total filler content is 80 wt%. A much higher value of 7.69 W/m·K was obtained by adding extra AIN. From the experiment data, it is concluded that the filler orientation in vertical direction of sample surface and the decrease of voids in sample are very important to obtain high thermal conductivity, and that the filler surface modification is also necessary to improve thermal conductivity especially for epoxy/c-BN composites, and addition of nano silica in small amount can also increase thermal conductivity if sample is prepared appropriately.

Effect of Temperature on Thermal Properties of Different Types of High-Strength Concrete

Abstract: The knowledge of high temperature thermal properties is critical for evaluating the fire response of concrete structures. This paper presents the effect of temperature on the thermal properties of different types of high-strength concrete (HSC). Specific heat, thermal conductivity, and thermal expansion are measured for three concrete types, namely, HSC, self-consolidating concrete (SCC), and fly ash concrete (FAC), in the temperature range from 20–800°C. The effect of steel, polypropylene, and hybrid fibers on thermal properties of HSC and SCC is also investigated. Results from experiments show that SCC possesses higher thermal conductivity, specific heat, and thermal expansion than HSC and FAC in the 20–800°C temperature range. Data generated from tests is utilized to develop simplified relationships for expressing different thermal properties as a function of temperature. The proposed thermal property relationships can be used as input data for evaluating the response of concrete structures under fire conditions.

Negative Thermal Expansion Coefficient of Graphene Measured by Raman Spectroscopy

Abstract: The thermal expansion coefficient (TEC) of single-layer graphene is estimated with temperature-dependent Raman spectroscopy in the temperature range between 200 and 400 K. It is found to be strongly dependent on temperature but remains negative in the whole temperature range, with a room temperature value of -8.0x10^{-6} K^{-1}. The strain caused by the TEC mismatch between graphene and the substrate plays a crucial role in determining the physical properties of graphene, and hence its effect must be accounted for in the interpretation of experimental data taken at cryogenic or elevated temperatures.

Thermal expansion coefficients of Bi2Se3 and Sb2Te3 crystals from 10 K to 270 K

Abstract: Lattice constant of Bi2Se3 and Sb2Te3 crystals is determined by x-ray powder diffraction measurement in a wide temperature range. Linear thermal expansion coefficients (α) of the crystals are extracted, and considerable anisotropy between α|| and α⊥ is observed. The low temperature values of α can be fit well by the Debye model, while an anomalous behavior at above 150 K is evidenced and explained. Gruneisen parameters of the materials are also estimated at room temperature.

Micro/Nanoscale Spatial Resolution Temperature Probing for the Interfacial Thermal Characterization of Epitaxial Graphene on 4H‐SiC

Abstract: Limited internal phonon coupling and transfer within graphene in the out-of-plane direction significantly affects graphene-substrate interfacial phonon coupling and scattering, and leads to unique interfacial thermal transport phenomena. Through the simultaneous characterization of graphene and SiC Raman peaks, it is possible, for the first time, to distinguish the temperature of a graphene layer and its adjacent 4H-SiC substrate. The thermal probing resolution reaches the nanometer scale with the graphene (≈1.12 nm) and is on the micrometer scale (≈12 μm) within SiC next to the interface. A very high thermal resistance at the interface of 5.30 (-0.46) (+0.46) x 10(-5) Km2 W(-1) is observed by using a Raman frequency method under surface Joule heating. This value is much higher than those from molecular dynamics predictions of 7.01(-1.05) (+1.05) x 10(-1) and 8.47(-0.75) (+0.75) x 10(-10) Km2 w(-1) for surface heat fluxes of 3 × 10(9) and 1 × 10(9) and 1 x 10(10) W m(-2) , respectively. This analysis shows that the measured anomalous thermal contact resistance stems from the thermal expansion mismatch between graphene and SiC under Joule heating. This mismatch leads to interface delamination/separation and significantly enhances local phonon scattering. An independent laser-heating experiment conducted under the same conditions yielded a higher interfacial thermal resistance of 1.01(-0.59) (+1.23) x 10(-4) Km2 W(-1). Furthermore, the peak width method of Raman thermometry is also employed to evaluate the interfacial thermal resistance. The results are 3.52 × 10(-5) and 8.57 × 10(-5) K m2 W(-1) for Joule-heating and laser-heating experiments, respectively, confirming the anomalous thermal resistance between graphene and SiC. The difference in the results from the frequency and peak-width methods is caused by the thermal stress generated in the heating processes.

Processing of diamond particle dispersed aluminum matrix composites in continuous solid–liquid co-existent state by SPS and their thermal properties

Abstract: Diamond-particle-dispersed-aluminum (Al) matrix composites were fabricated in a unique fabrication method where continuous solid–liquid co-existent state of the powder mixture of diamond, pure Al and Al–5mass%Si alloy was designed during spark plasma sintering (SPS) process. Microstructures and thermal properties of the composites fabricated in such a way were investigated. The composites can be well consolidated in the temperature range between 773 K and 878 K and scanning electron microscopy detects no reaction at the interface between the diamond particle and the Al matrix. The relative packing density of the diamond–Al composite fabricated was 99% or higher in a volume fraction range of diamond between 35 and 50%. The thermal conductivity of the diamond–Al composite containing 50 vol.% diamond reached 552 W/mK, higher than 95% the theoretical thermal conductivity calculated by Maxwell–Eucken’s equation. The coefficient of thermal expansion of the composites falls in the upper line of Kerner’s model, indicating strong bonding between the diamond particle and the Al matrix in the composite.

Thermal Expansion Coefficients of Bi$_2$Se$_3$ and Sb$_2$Te$_3$ Crystals from 10 K to 270 K

Abstract: Lattice constant of Bi$_2$Se$_3$ and Sb$_2$Te$_3$ crystals is determined by X-ray powder diffraction measurement in a wide temperature range. Linear thermal expansion coefficients ($\alpha$) of the crystals are extracted, and considerable anisotropy between $\alpha_\parallel$ and $\alpha_\perp$ is observed. The low temperature values of $\alpha$ can be fit well by the Debye model, while an anomalous behavior at above 150 K is evidenced and explained. Gruneisen parameters of the materials are also estimated at room temperature.

Bulk crystal growth and characterization of a new polar polymorph of BaTeMo2O9: α-BaTeMo2O9

Abstract: Bulk single crystals of α-BaTeMo2O9 with dimensions up to 51 × 30 × 20 mm3 were grown successfully by a top-seeded solution growth (TSSG) method using TeO2-MoO3 mixture as a flux. High-resolution X-ray diffraction measurement on the (400)-faced plate indicates that the full-width at half-maximum (FWHM) of the rocking curve is 16.55′′. The as-grown crystal exhibits {010}, {002}, {110}, {111} and {201} facets, which are in good accordance with the predicted growth morphology based upon the Bravais-Friedel and Donnay-Harker (BFDH) method. In addition, thermal properties including thermal expansion, specific heat, thermal diffusivity and thermal conductivity were investigated as a function of temperature. The average linear thermal expansion coefficients along the a-, b-, and c-axis from 30 °C to 500 °C were measured to be αa = 9.10 × 10−6 K−1, αb = 19.58 × 10−6 K−1 and αc = 11.94 × 10−6 K−1, respectively. The specific heat was measured to be 0.433–0.566 J (g K)−1 over the temperature range of 30–540 °C. The thermal conductivity along the a-axis is larger than those along other directions (κa>κb> κc). The transmission spectra and refractive indices were also measured. The α-BaTeMo2O9 crystal exhibits a wide transmission window ranging from 380 nm to 5530 nm. The large birefringence of α-BaTeMo2O9 (Δn = 0.305 for light at 404.7 nm) indicates that it is not only Type I and II phase-matchable, but also a very promising candidate for optical devices.

Direct observation of microcrack development in marble caused by thermal weathering

Abstract: One of the properties that makes marble such an excellent construction and ornamental material is its low porosity. It is very difficult for water or decay agents to penetrate the internal structure of materials with no or few pores, so enhancing the durability of these materials. However, environmental temperature fluctuations bring about significant physical changes in marbles that result in an increase in porosity, due to the appearance of new microcracks and the expansion of existing ones. These cracks offer new paths into the marble which make it easier for solutions containing pollutants to penetrate the material. Thermal expansion tests were performed on three different types of marble known as White, Tranco, and Yellow Macael (Almeria, Spain), after which an increase in porosity (from 17 to 73% depending on marble type) was observed, mainly due to crack formation. The structural changes occurring during thermal expansion tests were more significant in the case of White Macael samples, a fact that is not only related to its mineralogical composition but also to the morphology of the grains, grain boundaries and crystal size. Our research suggests that thermally weathered White Macael marble could be more susceptible to decay by other contaminant agents than Tranco or Yellow Macael. The use of hot-stage environmental scanning electron microscopy is proposed as a valid tool for observing, both in situ and at high magnification, changes in the fracture system of building stones induced by thermal stress.

Chemical expansion of nonstoichiometric Pr0.1Ce0.9O2−δ: Correlation with defect equilibrium model

Abstract: Undoped and acceptor doped cerium dioxide is known to exhibit non-stoichiometry induced chemical expansion at elevated temperatures and reducing environments with impact on the mechanical integrity of solid oxide fuel cells and permeation membranes. In this paper, the chemical expansion of Pr0.1Ce0.9O2−δ is measured and analyzed with respect to its defect equilibria and the chemical coefficient of expansion, analogous to thermal coefficient of expansion, is extracted. The addition of Pr to CeO2 leads to major deviations from stoichiometry, and correspondingly to large chemical expansions, under readily accessible experimental conditions (e.g. in air at elevated temperatures). Pr0.1Ce0.9O2−δ, therefore, serves as a model system for studying chemical expansion in ceria-based solid solutions in order to predict the conditions in which they exhibit suppressed chemical expansion.

Thermal Stress and Strain of Solar Cells in Photovoltaic Modules

Abstract: The long-term stability of photovoltaic (PV) modules is largely influenced by the module’s ability to withstand thermal cycling between −40°C and 85°C. Due to different coefficients of thermal expansion (CTE) of the different module materials the change in temperature creates stresses. We quantify these thermomechanical stresses by performing a Finite-Element-analysis of a 60 cell module during thermal cycling. We therefore start by the experimental characterization of each material layer. In particular, the polymeric encapsulant is characterized by three alternative models in order to stepwise consider the time- and temperature-dependence in the simulation. Experiments performed with laminated samples are used to validate the computational model. We find that taking into account the viscoelasticity of the encapsulation layers gives the best agreement with experiments. The Finite-Element-analysis of the complete module shows that the solar cells are under high compressive stress of up to 76 MPa as they are sandwiched between the stiff front glass and the strongly contracting plastic back sheet. The non-symmetrical structure of the 5.55 mm thick module with glass being the thickest component (4 mm) leads to bending during the thermal cycle.