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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Temperature-induced amorphization in CaCO 3 at high pressure and implications for recycled CaCO 3 in subduction zones

Calcium carbonate (CaCO 3 ) significantly affects the properties of upper mantle and plays a key role in deep carbon recycling. However, its phase relations above 3 GPa and 1000 K are controversial. Here we report a reversible temperature-induced aragonite-amorphization transition in CaCO 3 at 3.9-7.5 GPa and temperature above 1000 K. Amorphous CaCO 3 shares a similar structure as liquid CaCO 3 but with much larger C-O and Ca-Ca bond lengths, indicating a lower density and a mechanism of lattice collapse for the temperature-induced amorphous phase. The less dense amorphous phase compared with the liquid provides an explanation for the observed CaCO 3 melting curve overturn at about 6 GPa. Amorphous CaCO 3 is stable at subduction zone conditions and could aid the recycling of carbon to the surface.

58 GEOSCIENCES↗
DOE OSTI2015

High pressure floating zone growth and structural properties of ferrimagnetic quantum paraelectric BaFe{sub 12}O{sub 19}

High quality single crystals of BaFe{sub 12}O{sub 19} were grown using the floating zone technique in 100 atm of flowing oxygen. Single crystal neutron diffraction was used to determine the nuclear and magnetic structures of BaFe{sub 12}O{sub 19} at 4 K and 295 K. At both temperatures, there exist local electric dipoles formed by the off-mirror-plane displacements of magnetic Fe{sup 3+} ions at the bipyramidal sites. The displacement at 4 K is about half of that at room temperature. The temperature dependence of the specific heat shows no anomaly associated with long range polar ordering in the temperature range from 1.90 to 300 K. The inverse dielectric permittivity, 1/ε, along the c-axis shows a T{sup 2} temperature dependence between 10 K and 20 K, with a significantly reduced temperature dependence displayed below 10 K. Moreover, as the sample is cooled below 1.4 K there is an anomalous sharp upturn in 1/ε. These features resemble those of classic quantum paraelectrics such as SrTiO{sub 3}. The presence of the upturn in 1/ε indicates that BaFe{sub 12}O{sub 19} is a critical quantum paraelectric system with Fe{sup 3+} ions involved in both magnetic and electric dipole formation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Comparative study of GeO{sub 2}/Ge and SiO{sub 2}/Si structures on anomalous charging of oxide films upon water adsorption revealed by ambient-pressure X-ray photoelectron spectroscopy

The energy difference between the oxide and bulk peaks in X-ray photoelectron spectroscopy (XPS) spectra was investigated for both GeO{sub 2}/Ge and SiO{sub 2}/Si structures with thickness-controlled water films. This was achieved by obtaining XPS spectra at various values of relative humidity (RH) of up to ∼15%. The increase in the energy shift is more significant for thermal GeO{sub 2} on Ge than for thermal SiO{sub 2} on Si above ∼10{sup −4}% RH, which is due to the larger amount of water molecules that infiltrate into the GeO{sub 2} film to form hydroxyls. Analyzing the origins of this energy shift, we propose that the positive charging of a partially hydroxylated GeO{sub 2} film, which is unrelated to X-ray irradiation, causes the larger energy shift for GeO{sub 2}/Ge than for SiO{sub 2}/Si. A possible microscopic mechanism of this intrinsic positive charging is the emission of electrons from adsorbed water species in the suboxide layer of the GeO{sub 2} film to the Ge bulk, leaving immobile cations or positively charged states in the oxide. This may be related to the reported negative shift of flat band voltages in metal-oxide-semiconductor diodes with an air-exposed GeO{sub 2} layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗