Size- And Temperature-Dependent Thermal Expansion Coefficient Of A Nanofilm

The thermal expansion coefficient (TEC) of an ideal crystal is derived by using a method of Boltzmann statistics. The Morse potential energy function is adopted to show the dependence of the TEC on the temperature. By taking the effects of the surface relaxation and the surface energy into consideration, the dimensionless TEC of a nanofilm is derived. It is shown that with decreasing thickness, the TEC can increase or decrease, depending on the surface relaxation of the nanofilm.

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.

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.

Influence of vapor transport equilibration on the crystal quality and thermal-expansion coefficients of gamma-LiAlO2

gamma-LiAlO2 (LAO) single crystal has been grown by the Czochralski method. However, its quality was deteriorated due to lithium volatilization during the crystal growth. The full width at half maximum value drops from 116.9 to 44.2 arc sec after the LAO slice was treated by vapor transport equilibration at 1000, 1100, and 1200 degrees C/48 h in sequence. The treated slice shows higher optical transmission than the as-grown one in the measured wavelength range of 190-1900 nm, meanwhile, its absorption edge exhibits a blueshift. According to Raman spectra, the treated slice has homogeneous quality at different depths from surface to 0.01 mm. The expansion coefficient of the treated slice for a axis drops from 17.2398x10(-6)/degrees C to 16.5240x10(-6)/degrees C, and that for c axis drops from 10.7664x10(-6)/degrees C to 10.0786x10(-6)/degrees C.

Physical and thermal properties of P2O5-Al2O3-BaO-La2O3 glasses

The physical and thermal properties Of P2O5-Al2O3-BaO-La2O3 glasses were investigated. The effects of glass compositions on the transition temperature, thermal expansion coefficient, density, hardness and refractive index of glasses were studied. The highest hardness of the glasses is 4143.891 MPa and the lowest thermal expansion coefficient of the glasses is 71.770 x 10(-7)/° C. A phosphate glass with high mechanical strength and good thermal characteristic is obtained.

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 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.

Thermal barrier coating of lanthanum-zirconium-cerium composite oxide made by electron beam-physical vapor deposition

Lanthanum-zirconium-cerium composite oxide (La-2(Zr0.7Ce0.3)(2)O-7, LZ7C3) as a candidate material for thermal barrier coatings (TBCs) was prepared by electron beam-physical vapor deposition (EB-PVD). The composition, crystal structure, thermophysical properties, surface and cross-sectional morphologies and cyclic oxidation behavior of the LZ7C3 coating were studied. The results indicated that LZ7C3 has a high phase stability between 298 K and 1573 K, and its linear thermal expansion coefficient (TEC) is similar to that of zirconia containing 8 wt% yttria (8YSZ). The thermal conductivity of LZ7C3 is 0.87 W m(-1) K-1 at 1273 K, which is almost 60% lower than that of 8YSZ. The deviation of coating composition from the ingot can be overcome by the addition of excess CeO2 and ZrO2 during ingot preparation or by adjusting the process parameters.

The thermal cycling behavior of Lanthanum-Cerium Oxide thermal barrier coating prepared by EB-PVD

Bulk material and coatings of Lanthanum-Cerium Oxide (La2Ce2O7) with a fluorite structure were studied as a candidate material for thermal barrier coating (TBC). It has been showed that such material has the properties of low thermal conductivity about four times lower than YSZ, the difference in the thermal expansion coefficient between La2Ce2O7 and bond coat is smaller than that of YSZ in TBC systems, high phase stability between room temperature and 1673 K, about 300 K higher than that of the YSZ. The coating prepared by electron beam physical vapor deposition (EB-PVD) showed that it has good thermal cycling behavior, implying that Such material can be a promising thermal barrier coating material. The deviation of coating composition from ingot can be overcome by the addition of excess La2O3 during ingot preparation and/or by adjusting the process parameters.

Neodymium-cerium oxide as new thermal barrier coating material

Neodymium-cerium oxide (Nd2Ce2O7) was proposed as a new thermal barrier coating material in this work. Monolithic Nd2Ce2O7 powder was prepared by the solid-state reaction at 1400 degrees C. The phase composition, thermal stability and thermophysical properties of Nd2Ce2O7 were investigated. Nd2Ce2O7 with fluorite structure was thermally stable in the temperature range of interest for TBC applications. The results indicated that the thermal expansion coefficient (TEC) of Nd2Ce2O7 was higher than that of YSZ (6-8 Wt-% Y2O3 + ZrO2) and even more interesting was the TEC change as a function of temperature paralleling that of the superalloy bond coat. Moreover, the thermal conductivity of Nd2Ce2O7 is 30% lower than that of YSZ, which was discussed based on the theory of heat conduction. Thermal barrier coating of Nd2Ce2O7 was produced by atmospheric plasma spraying (APS) using the spray-dried powder. The thermal cycling was performed with a gas burner test facility to examine the thermal stability of the as-prepared coating.