Spectral-Directional Emittance of CuO at High Temperatures

2005 ◽  
Vol 128 (4) ◽  
pp. 382-388 ◽  
Author(s):  
Peter D. Jones ◽  
George Teodorescu ◽  
Ruel A. Overfelt
Keyword(s):  
Cupric Oxide ◽  
Polar Angle ◽  
Copper Surface ◽  
Emission Measurement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Direct Emission ◽  
Increasing Temperature ◽  
Directional Emittance ◽  
Good Agreement

Spectral-directional emittance measurements for cupric oxide (CuO) are presented. The data cover polar angles of 0-84deg from the surface normal, wavelengths between 1.5 and 8μm, and temperatures between 400 and 700°C. The data were generated using a radiometric, direct emission measurement method. The oxide was grown on a very clean, smooth, and mirror-like copper surface, heated in air at 700°C until emission measurements became constant (270h). X-ray diffraction and EDS analyses were performed to characterize the spatial and molecular composition of the copper oxide layer. It is generally found that CuO emittance decreases with increasing polar angle, increases with increasing wavelength, and increases with increasing temperature. Spectral-directional emittance values calculated from the Fresnel relations show good agreement with the measurements up to polar angles of 72deg.

Spectral-Directional Emittance of CuO at High Temperatures

Volume 1 ◽  
2004 ◽  
Author(s):  
Peter D. Jones ◽  
George Teodorescu ◽  
Ruel A. Overfelt
Keyword(s):  
Cupric Oxide ◽  
Polar Angle ◽  
Copper Surface ◽  
Emission Measurement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Direct Emission ◽  
Increasing Temperature ◽  
Directional Emittance ◽  
Good Agreement

Spectral-directional emittance measurements for cupric oxide (CuO) are presented. The data cover polar angles of zero to 84° from the surface normal, wavelengths between 1.5 and 8 μm, and temperatures between 400 and 700°C. The data were generated using a radiometric, direct emission measurement method. The oxide was grown on a very clear, smooth, and mirror-like copper surface, heated in air at 700°C until emission measurements became constant (270 hours). X-ray diffraction and EDS analyses were performed to characterize the spatial and molecular composition of the copper oxide layer. It is generally found that CuO emittance decreases with increasing polar angle, increases with increasing wavelength, and increases with increasing temperature. Spectral-directional emittance values calculated from the Fresnel equations show good agreement with the measurements up to polar angles of 72°.

A DFT study of spherands containing five anisyl groups — Highly preorganized to bind the alkali metal

2006 ◽  
Vol 84 (8) ◽  
pp. 1045-1049 ◽  
Author(s):  
Shabaan AK Elroby ◽  
Kyu Hwan Lee ◽  
Seung Joo Cho ◽  
Alan Hinchliffe
Keyword(s):  
Density Functional Theory ◽  
Binding Energy ◽  
Density Functional ◽  
Ionic Radius ◽  
Binding Energies ◽  
Cavity Size ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Good Agreement

Although anisyl units are basically poor ligands for metal ions, the rigid placements of their oxygens during synthesis rather than during complexation are undoubtedly responsible for the enhanced binding and selectivity of the spherand. We used standard B3LYP/6-31G** (5d) density functional theory (DFT) to investigate the complexation between spherands containing five anisyl groups, with CH2–O–CH2 (2) and CH2–S–CH2 (3) units in an 18-membered macrocyclic ring, and the cationic guests (Li+, Na+, and K+). Our geometric structure results for spherands 1, 2, and 3 are in good agreement with the previously reported X-ray diffraction data. The absolute values of the binding energy of all the spherands are inversely proportional to the ionic radius of the guests. The results, taken as a whole, show that replacement of one anisyl group by CH2–O–CH2 (2) and CH2–S–CH2 (3) makes the cavity bigger and less preorganized. In addition, both the binding and specificity decrease for small ions. The spherands 2 and 3 appear beautifully preorganized to bind all guests, so it is not surprising that their binding energies are close to the parent spherand 1. Interestingly, there is a clear linear relation between the radius of the cavity and the binding energy (R2 = 0.999).Key words: spherands, preorganization, density functional theory, binding energy, cavity size.

Local atomic structure in tetragonal pure ZrO2nanopowders

2010 ◽  
Vol 43 (2) ◽  
pp. 227-236 ◽  
Author(s):  
Leandro M. Acuña ◽  
Diego G. Lamas ◽  
Rodolfo O. Fuentes ◽  
Ismael O. Fábregas ◽  
Márcia C. A. Fantini ◽  
...  
Keyword(s):  
Tetragonal Phase ◽  
Local Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Atomic Structures ◽  
Crystallite Sizes ◽  
Exafs Study ◽  
The Difference ◽  
X Ray Absorption ◽  
Good Agreement

The local atomic structures around the Zr atom of pure (undoped) ZrO2nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr—O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye–Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to thezdirection; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.

Polydomain Structure of Epitaxial PbTiO3 films on MgO

1997 ◽  
Vol 493 ◽  
Author(s):  
S. P. Alpay ◽  
A. S. Prakash ◽  
S. Aggarwal ◽  
R. Ramesh ◽  
A. L. Roytburd ◽  
...  
Keyword(s):  
Domain Structure ◽  
Pulsed Laser ◽  
Laser Deposition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Theoretical Predictions ◽  
The Stability ◽  
Increasing Temperature ◽  
Stable Domains ◽  
Domain Stability

ABSTRACTA PbTiO3(001) film grown on MgO(001) by pulsed laser deposition is examined as an example to demonstrate the applications of the domain stability map for epitaxial perovskite films which shows regions of stable domains and fractions of domains in a polydomain structure. X-ray diffraction studies indicate that the film has a …c/a/c/a… domain structure in a temperature range of °C to 400°C with the fraction of c-domains decreasing with increasing temperature. These experimental results are in excellent agreement with theoretical predictions based on the stability map.

Investigation of Residual Strains of the Second Kind in Plastically Deformed Metallic Materials

1994 ◽  
Vol 376 ◽  
Author(s):  
M. Vrána ◽  
P. Klimanek ◽  
T. Kschidock ◽  
P. Lukáš ◽  
P. Mikula
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Stacking Faults ◽  
Metallic Materials ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutron Diffractometer ◽  
Residual Strains ◽  
Good Agreement

ABSTRACTInvestigation of strongly distorted crystal structures caused by dislocations, stacking-faults etc. in both plastically deformed f.c.c. and b.c.c. metallic materials was performed by the analysis of the neutron diffraction line broadening. Measurements were realized by means of the high resolution triple-axis neutron diffractometer equipped by bent Si perfect crystals as monochromator and analyzer at the NPI Řež. The substructure parameters obtained in this manner are in good agreement with the results of X-ray diffraction analysis.

Structural Properties Of Co/Re Superlattices

1991 ◽  
Vol 238 ◽  
Author(s):  
Y. Huai ◽  
R. W. Cochrane ◽  
Y. Shi ◽  
H. E. Fischer ◽  
M. Sutton
Keyword(s):  
Structural Disorder ◽  
Multilayer Films ◽  
Film Plane ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bilayer Films ◽  
Out Of Plane ◽  
Reflectivity Data ◽  
Sharp Interfaces ◽  
Good Agreement

ABSTRACTThe structures of equal-thickness Co/Re multilayer films and several Co/Re bilayer films have been investigated by X-ray diffraction at low and high angles. Analysis of low-angle reflectivity data from bilayer films indicates that interfacial intermixing is limited to three monolayers and that the two interfacial configurations are different. The high-angle X-ray diffraction data show that multilayer films have coherent interfaces and a highly textured structure with hep [002] orientations normal to the film plane for periods 21 Å ≤ Λ ≤220 Å. Detailed structures have been determined by fitting the X-ray spectra to calculated ones using a trapezoidal model. The results indicate that samples with 42 Å≤ Λ ≤220 Å have relatively sharp interfaces, in good agreement with the bilayer results. In addition, an out-of-plane expansion of the Co (002) layer is observed in samples with large Λ and results from structural disorder leading to a reduced atomic density. For Λ <21 Å the interfaces arise from the rougher surfaces of the deposited layers.

Evidence of a single-q incommensurate phase in quartz by synchrotron X-ray diffraction

1988 ◽  
Vol 21 (1) ◽  
pp. 72-74 ◽  
Author(s):  
A. Zarka ◽  
B. Capelle ◽  
M. Petit ◽  
G. Dolino ◽  
P. Bastie ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Uniaxial Stress ◽  
Incommensurate Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Good Agreement ◽  
Ray Scattering

X-ray scattering is used to demonstrate the existence in quartz of an incommensurate phase with a single modulation when a uniaxial stress is applied in the X Y plane. Good agreement with earlier neutron scattering experiments is found.

scholarly journals Experimentally obtained and computer-simulated X-ray non-coplanar 18-beam pinhole topographs for a silicon crystal

2019 ◽  
Vol 75 (3) ◽  
pp. 483-488 ◽  
Author(s):  
Kouhei Okitsu ◽  
Yasuhiko Imai ◽  
Yoshitaka Yoda
Keyword(s):  
Silicon Crystal ◽  
Dynamical Theory ◽  
X Rays ◽  
X Ray Diffraction ◽  
X Ray ◽  
Good Agreement

Non-coplanar 18-beam X-ray pinhole topographs for a silicon crystal were computer simulated by fast Fourier transforming the X-ray rocking amplitudes that were obtained by solving the n-beam (n = 18) Ewald–Laue dynamical theory (E-L&FFT method). They were in good agreement with the experimentally obtained images captured using synchrotron X-rays. From this result and further consideration based on it, it has been clarified that the X-ray diffraction intensities when n X-ray waves are simultaneously strong in the crystal can be computed for any n by using the E-L&FFT method.

scholarly journals Structural and thermoelectric properties of the Pr2Zr2O7 compound

2019 ◽  
pp. 4-9
Author(s):  
Adolfo Quiroz-Rodríguez ◽  
Cesia Guarneros-Aguilar ◽  
Ricardo Agustin-Serrano
Keyword(s):  
Electron Microscopy ◽  
Thermal Conductivity ◽  
Thermoelectric Properties ◽  
Crystal Size ◽  
Ambient Pressure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Increasing Temperature ◽  
Thermal Stability Of ◽  
Scanning Electron

In this research, it is presented a detailed study of the structural and thermoelectric properties of the pyrochlore zirconium Pr2Zr2O7 compound prepared by solid-state reaction (SSR) in air at ambient pressure. The synthesized sample was characterized using powder X-ray diffraction. The thermal stability of the thermoelectric compound (TE) Pr2Zr2O7 was tested by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). Scanning electron microscopy shows that the crystal size varies between 0.69 and 2.81μm. Electrical conductivity (\sigma) of the sample calcined at 1400 °C presented values increase irregularly with the increasing temperature from 0.001 to 0.018 S cm-1 as expected in a semiconductor material. The thermal conductivity is lower than 0.44 - 775 W m-1 K-1 which is quite anomalous in comparison with the thermal conductivity of other oxides.

scholarly journals Absolute Configuration of Cembrane Diterpenoids from Bursera multijuga

2014 ◽  
Vol 9 (9) ◽  
pp. 1934578X1400900 ◽  
Author(s):  
Juan D. Hernández-Hernández ◽  
Hugo A. García-Gutiérrez ◽  
Luisa U. Román-Marín ◽  
Yunuen I. Torres-Blanco ◽  
Carlos M. Cerda-García-Rojas ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Absolute Configuration ◽  
2D Nmr ◽  
Vibrational Circular Dichroism ◽  
Conformational Preference ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Absolute ◽  
First Time ◽  
Good Agreement

The stems of Bursera multijuga afforded (-)-(1 S,3 E,7 R,8 R,11 E)-7,8-epoxycembra-3,11-dien-1-ol (1) and its acetate 2, together with cembrene A (3), nephthenol (4), and cembrenol (5). The structures of 1 and 2 were elucidated by 1D and 2D NMR, HRESIMS, and X-ray diffraction. The conformational preference of flexible 1 was studied by molecular modeling at the DFT B3LYP/DGDZVP level of theory. Good agreement between calculated and experimental vibrational circular dichroism curves established the absolute configuration of 1. This is the first time that cembrane derivatives have been isolated from the genus Bursera.

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