In situ synthesis of ZrO2/ZrW2O8 composites with near-zero thermal expansion

In this paper, ZrO2 and WO3 were used as the raw materials to prepare ZrO2/ZrW2O8 composites by in situ reaction method and the thermal expansion property of the composites was studied. This novel method included a heating step up to 1473 K for 24 h, which combines the synthesizing and sintering of ZrW2O8. The result indicates that ZrO2/ZrW2O8 composite shows near-zero thermal expansion when the weight ratio of ZrO2 and WO3 is 2.5:1. Compared with composites prepared previously by non-reactive sintering of ZrO2 and ZrW2O8, the composites show higher relative density and lower porosity.

Thermal and electric conductivity of near-zero thermal expansion ZrW 2O8//ZrO2 composites

In this work, the microstructure, thermal and electric conductivity properties of near-zero thermal expansion ZrW2O8/ZrO2 and Al2O3 added ZrW2O8/ZrO2 composites were studied. Both the two composites exhibit very low thermal conductivity and the thermal conductivity decreases slightly as the temperature increases. The electric conductivity of the two composites increases with the increasing of the measurement temperature. The Al2O3 added ZrW2O8/ZrO2 composite has higher thermal and electric conductivity than ZrW2O8/ZrO2 composite. The most important factor which causes the difference of the thermal and electric conductivity of the composites is the porosity. (C) 2008 The Ceramic Society of Japan. All rights reserved.

Investigation of the Young's modulus and thermal expansion of amorphous titania-doped tantala films

The current generation of advanced gravitational wave detectors utilize titania-doped tantala/silica multilayer stacks for their mirror coatings. The properties of the low-refractive-index silica are well known; however, in the absence of detailed direct measurements, the material parameters of Young's modulus and coefficient of thermal expansion (CTE) of the high refractive index material, titania-doped tantala, have been assumed to be equal to values measured for pure tantala coatings. In order to ascertain the true values necessary for thermal noise calculations, we have undertaken measurements of Young's modulus and CTE through the use of nanoindentation and thermal-bending measurements. The measurements were designed to assess the effects of titania doping concentration and post-deposition heat-treatment on the measured values in order to evaluate the possibility of optimizing material parameters to further improve thermal noise in the detector. Young's modulus measurements on pure tantala and 25% and 55% titania-doped tantala show a wide range of values, from 132 to 177 GPa, dependent on both titania concentration and heat-treatment. Measurements of CTE give values of (3.9 +/- 0.1) x 10^-6 K^-1 and (4.9 +/- 0.3) x 10^-6 K^-1 for 25% and 55% titania-doped tantala, respectively, without dependence on post-deposition heat-treatment.

Investigation of thermal expansion and compressibility of rare-earth orthovanadates using a dielectric chemical bond method

The chemical bond properties, lattice energies, linear expansion coefficients, and mechanical properties of ReVO4 (Re = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Sc, Y) are investigated systematically by the dielectric chemical bond theory. The calculated results show that the covalencies of Re-O bonds are increasing slightly from La to Lu and that the covalencies of V-O bonds in crystals are decreasing slightly from La to Lu. The linear expansion coefficients decrease progressively from LaVO4 to LuVO4; on the contrary, the bulk moduli increase progressively. Our calculated results are in good agreement with some experimental values for linear expansion coefficients and bulk moduli.

Investigation of Chemical Bond Characteristics, Thermal Expansion Coefficients and Bulk Moduli of alpha-R2MoO6 and R2Mo2O7 (R = rare earths) by Using a Dielectric Chemical Bond Method

Theoretical researches are performed on the alpha-R2MoO6 (R = Y, Gd, Tb Dy, Ho, Er, Tm and Yb) and pyrochlore-type R2Mo2O7 (R = Y, Nd, Sm, Gd, Tb and Dy) rare earth molybdates by using chemical bond theory of dielectric description. The chemical bonding characteristics and their relationship with thermal expansion property and compressibility are explored. The calculated values of linear thermal expansion coefficient (LTEC) and bulk modulus agree well with the available experimental values. The calculations reveal that the LTECs and the bulk moduli do have linear relationship with the ionic radii of the lanthanides: the LTEC decreases from 6.80 to 6.62 10(-6)/K and the bulk modulus increases from 141 to 154 GPa when R goes in the order Gd, Tb Dy, Ho, Er, Tm, and Yb in the alpha-R2MoO6 series; while in the R2Mo2O7 series, the LTEC ranges from 6.80 to 6.61 10(-6)/K and the bulk modulus ranges from 147 to 163 GPa when R varies in the order Nd, Sm, Gd, Tb and Dy.

Chemical bond characteristics, thermal expansion property and compressibility of AR(2)O(4) (A = Ca, Sr, Ba; R = rare earths)

Theoretical researches were performed on the CaFe2O4-type binary rare earth oxides AR(2)O(4) (A = Ca, Sr, Ba; R = rare earths) by using chemical bond theory of dielectric description. The chemical bond properties of these crystals were explored, and then the thermal expansion property and compressibility were studied. The theoretical values of linear thermal expansion coefficient (LTEC) and bulk modulus were presented. The calculations revealed that the LTECs and the bulk moduli do have linear relationship with the ionic radii of the rare earths. In the cases of Sc and Y, both the LTEC and bulk modulus values are larger than the lanthanide series. We attribute this to the difference in the electronic configuration between Sc (Y) and lanthanide series. For SrY2O4 and BaY2O4 crystals, the theoretical values of LTEC and bulk modulus agree well with experimental ones.

On improving the phase stability and thermal expansion coefficients of lanthanum cerium oxide solid solutions

The phase stability of lanthanum cerium oxide (La2Ce2O7), which is stable up to 1400 degrees C, and the thermal expansion coefficient of La2Ce2O7 doped with Ta2O5 or WO3 were studied. The thermal expansion coefficient of La2Ce2O7 below 400 degrees C was increased by adding more CeO2 or doping with either Ta2O5 or WO3.

Estimation thermal expansion coefficient from lattice energy for inorganic crystals

By using the study of the lattice energy and the structural parameters of binary inorganic crystals, a new parameter reflecting the thermal expansion property has been found, the relation between the linear expansion coefficient and new parameter has been established. A semiempirical method for evaluation of linear expansion coefficient from the lattice energy is presented, and developed to the complex crystals. The estimated values of the linear expansion coefficients of both simple and complex crystals are in good agreement with the experimental values.

Calculation of the thermal expansion coefficient for Bi2Sr2CaCu2O8

An estimation method of thermal expansion coefficient in term of lattice energy which was developed earlier for simple materials is extended to a complex material of Bi2Sr2CaCu2O8 (Bi-2212). The calculation of the chemical bond property and thermal expansion coefficient of Bi-2212 has been carried out and the theoretical values were in good agreement with the corresponding experimental results. The dependence of the thermal expansion coefficient on the different structures and on the flexible oxidation states of Bi and Cu are investigated. The results indicate that the thermal expansion coefficients of Bi-2212 are insensitive to the low lattice distortion of the average structure and the changes of formal valences of Bi and Cu ions.

Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements

Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and the phonon density of states. These experimentally- derived quantities are valuable to benchmark first-principles theoretical predictions of harmonic and non-harmonic thermal behaviors using perturbation theory, ab initio molecular-dynamics, or Monte-Carlo simulations. We illustrate this analysis by computing the harmonic, dilational, and anharmonic contributions to the entropy, internal energy, and free energy of elemental aluminum and the ordered compound FeSi over a wide range of temperature. Results agree well with previous data in the literature and provide an efficient approach to estimate anharmonic effects in materials.

Thermal expansion of deuterated hopeite, Zn-3(PO4)(2)center dot 4D(2)O

The lattice parameters extracted from Lebail analysis of neutron powder diffraction data collected between 2 and 300 K have been used to calculate the temperature evolution of the thermal expansion tensor for hopeite, Zn-3(PO4)(2)center dot 2H(2)O, Pnma,Z=4with a= 10.6065(4) angstrom, b = 18.2977(4) angstrom, c= 5.0257(2) A at 275 K. The a lattice parameter shows a negative thermal expansion, the b lattice parameter appears to saturate at 275 K while the c lattice parameter has a more typical positive thermal expansion. At 275 K, the magnitudes of the thermal expansion coefficients are alpha(a) = -1. 1(4) x 10(-5) K-1, alpha(b) = 2.4(9) x 10(-6) K-1 and alpha(c) = 3.6(2) x 10(-1) K-1. Under the conditions of these experiments, hopeite begins to dehydrate to the dihydrate between 300 and 325 K, and between 480 and 500 K the monohydrate is formed. The thermal expansion of the dihydrate has been calculated between 335 and 480 and at 480 K the magnitudes of the thermal expansion coefficients are alpha(a) = 1(2) x 10(-5) K-1, alpha(b) = 4(l) x 10(-6) K-1, alpha(c) = 4(2) x 10(-5) K-1, alpha(beta) = 1 (1) x 10(-1) K-1, and alpha(v) = 2(2) x 10(-1) K-1. The thermal expansion of hopeite is described in terms of its crystal structure and possible dehydration mechanisms for the alpha and beta modifications of hopeite are discussed.

Krakatoa lives: The effect of volcanic eruptions on ocean heat content and thermal expansion

A suite of climate model experiments indicates that 20th Century increases in ocean heat content and sea-level ( via thermal expansion) were substantially reduced by the 1883 eruption of Krakatoa. The volcanically-induced cooling of the ocean surface is subducted into deeper ocean layers, where it persists for decades. Temporary reductions in ocean heat content associated with the comparable eruptions of El Chichon ( 1982) and Pinatubo ( 1991) were much shorter lived because they occurred relative to a non-stationary background of large, anthropogenically-forced ocean warming. Our results suggest that inclusion of the effects of Krakatoa ( and perhaps even earlier eruptions) is important for reliable simulation of 20th century ocean heat uptake and thermal expansion. Inter-model differences in the oceanic thermal response to Krakatoa are large and arise from differences in external forcing, model physics, and experimental design. Systematic experimentation is required to quantify the relative importance of these factors. The next generation of historical forcing experiments may require more careful treatment of pre-industrial volcanic aerosol loadings.

A differential thermal expansion approach to crystal structure determination from powder diffraction data

Differential thermal expansion over the range 90-210 K has been applied successfully to determine the crystal structure of chlorothiazide from synchrotron powder diffraction data using direct methods. Key to the success of the approach is the use of a multi-data-set Pawley refinement to extract a set of reflection intensities that is more 'single-crystal-like' than those extracted from a single data set. The improvement in reflection intensity estimates is quantified by comparison with reference single-crystal intensities. (C) 2008 International Union of Crystallography Printed in Singapore - all rights reserved