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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is alpha Pu-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve water molecules. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a water-like geometry to two H1+ atoms. Both O–H bond lengths are 1.00 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is alpha Pu-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve water molecules. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a water-like geometry to two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide hydrate molecule, nine water molecules, one water molecule, and one water molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is Indium structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four water water molecules. there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.65 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to three H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is Keatite structured and crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of twelve water molecules. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is Tungsten-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight water molecules. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a water-like geometry to two equivalent H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is beta Tridymite structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of eight water molecules. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. O2- is bonded in a water-like geometry to two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O is Lonsdaleite structured and crystallizes in the hexagonal P6_3cm space group. The structure is zero-dimensional and consists of twelve water molecules. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. O2- is bonded in a water-like geometry to two H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of four hydrogen molecules and two H7O4 sheets oriented in the (0, 1, 0) direction. In each H7O4 sheet, there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to one H1+ and two equivalent O2- atoms. The H–H bond length is 1.27 Å. Both H–O bond lengths are 1.23 Å. In the second H1+ site, H1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. In the third H1+ site, H1+ is bonded in a 2-coordinate geometry to two equivalent H1+ and four equivalent O2- atoms. All H–O bond lengths are 1.62 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. O2- is bonded in a distorted T-shaped geometry to four H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H2O by Materials Project

H2O crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrogen molecules, six water molecules, two water molecules, and two water water molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2021

SPRUCE Vertical Profiles of CO2 and H2O Concentrations in Air in Experimental Plots Beginning in 2015

This dataset provides a record of hourly average CO2 and H2O concentrations in air at 4 vertical locations (0.5, 1, 2, and 4 m above ground level (agl)) on the central tower location for each of 13 SPRUCE experimental plots. Ten plots have enclosures (plots 4, 6, 8, 10, 11, 13, 16, 17, 19, and 20) and three plots (5, 7 and 21) are ambients without enclosures. Data are included for measurement periods beginning in 2015 and extend throughout the whole ecosystem warming (WEW) manipulations for the SPRUCE Project (Hanson et al. 2016, 2017). In August 2015, WEW was initiated at 5 warming levels (+0, +2. +4.5, +6.75 and +9 °C) with 2 plots per warming level. DPH measurements were underway before the initiation of WEW heating treatments and both are expected to operate through 2025. Elevated CO2 treatments were initiated within 5 experimental plots (Plots 4, 10, 11, 16 and 19) in June of 2016. All measurements were made at the 8.1-ha S1 bog forest site in northern Minnesota, 40 km north of Grand Rapids, in the USDA Forest Service Marcell Experimental Forest (MEF).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

General H2O Outgassing Model Applicable to Silica-Filled Silicones

Moisture-induced agining and degradation are continuing concerns in long-term storage and use of silicone materials. The silica fillers frequently used to provide mechanical reinforcement in silicone formulations have a high affinity for H2O and act as a source of moisture outgassing later when placed in dry or vacuum applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Influence of soluble oligomeric aluminum on precipitation in the Al-KOH-H2O system

The role of oligomeric aluminate (Al(OH)4-) species in the precipitation of aluminum phases such as gibbsite (a-Al(OH)3) from aqueous hydroxide solutions remains unclear and difficult to probe directly, despite its importance to developing accurate predictions of Al solubility in highly alkaline systems. Precipitation in this system entails a transition from predominantly tetrahedrally coordinated Al species in solution to octahedrally coordinated Al in gibbsite. Here we report a quantitative study of dissolved Al in the Al-KOH-H2O system using a combination of molecular spectroscopies. We established a relationship between changes in 27Al NMR chemical shifts and the relative intensity of Raman vibrational bands, indicative of variations in the ensemble speciation of Al in solution, and the formation of unique contact ion pair interactions with the aluminate dimer, Al2O(OH)62 . A strong correlation between the extent of Al oligomerization and the amount of solvated Al was demonstrated by systematically varying the KOH:Al molar ratio. The concentration of dissolved oligomeric Al in solution also directly impacted the particle size and morphology of gibbsite; high concentrations of dimeric Al2O(OH)62-, yielded smaller and more numerous anhedral to subhedral gibbsite particles, while low concentrations yielded fewer and larger euhedral gibbsite platelets. The collective observations suggest a key role of the Al2O(OH)62- dimer in promoting gibbsite precipitation from solution, where the potassium ion-paired dimer possibly catalyzes a more rapid transformation of Al coordination from tetrahedral in solution to octahedral in gibbsite.

Dembowski, Mateusz↗
DOE OSTI2020

A search for H2O masers in 100 active dwarf galaxies

ABSTRACT We present the results of the first dedicated survey for 22 GHz H2O maser emission in dwarf galaxies outside of the Local Group, with the aim of discovering disc masers. Studies of disc masers yield accurate and precise measurements of black hole (BH) mass, and such measurements in dwarf galaxies would be key to understanding the low-mass end of BH–galaxy coevolution. We used the Green Bank Telescope to survey 100 nearby (z ≲ 0.055) dwarf galaxies (M* ≲ 109.5 M⊙) with optical emission line ratios indicative of accretion on to a massive black hole. We detected no new masers down to a limit of ∼12 mJy (5σ). We compared the properties of our sample with those of ∼1850 known detections and non-detections in massive galaxies. We find, in agreement with previous studies, that masers are preferentially hosted by Seyferts and highly obscured, [O iii]-bright active galactic nuclei (AGNs). Our sample has fewer Seyferts, is less obscured, and is [O iii]-faint. Though the overall maser detection rate is ∼3 per cent in massive galaxies, the predicted rate for our sample, weighted by its optical properties, is ∼0.6–1.7 per cent, corresponding to a probability of making no detections of ∼20–50 per cent. We also found a slight increase in the detection rate with increased stellar mass in previously surveyed galaxies. However, further observations are required to discern whether there is an intrinsic difference between the maser fraction in active dwarf galaxies and in their massive counterparts for the same AGN properties.

Rosenthal, M. J.↗
DOE OSTI2022

Infrared Absorption Spectra of H2SO4, SO3, SO2, and H2O at 300C and 350C

Mid infrared absorption spectra of sulfuric acid (H2SO4), sulfur trioxide (SO3), sulfur dioxide (SO2), and water (H2O) were collected in a high temperature gas cell operating at either 300C or 350C. The spectra were collected using tunable external cavity quantum cascade lasers (ECQCLs) tuning, which were capable of operating over the wavelength range from approximately 7 microns to 9 microns, where H2SO4 and SO3 have their strongest absorption features. The spectra can be used as a library for developing gas sensors.

infrared absorption↗
DOE OSTI2021

Analysis of the Ion Conversion Mechanisms in the Effluent of Atmospheric Pressure Plasma Jets in Ar with Admixtures of O 2 , H 2 O and Air

Ionic species in atmospheric pressure plasma jets (APPJs) play an important role in plasmasurface and plasma-liquid interactions, nonetheless, they have not received the same attention as their neutral reactive species counterparts. In this work, a molecular beam mass spectrometer (MBMS) was used to characterize the ion compositions in the effluent of an APPJ operating in ambient air for different feed gases including Ar + O 2 , Ar + air and Ar + H 2 O mixtures inspired by gas compositions used for biomedical applications. Changes in compositions of positive and negative ions as a function of nozzle-to-substrate distance along the plasma plume were analyzed and compared with a pseudo-1D plug flow model. Positive and negative ions were detected up to distances of 12 mm from the visible plasma plume tip. The measurements enable to follow the ion conversion pathways in the effluent of the APPJs as a function of distance from the nozzle. The trends in ion yield obtained from a pseudo-1D plug flow model showed generally a good agreement with the experimentally observed trends after addition of ionic reactions to the previously reported reaction set but also some distinctive differences were observed. The dominant positive ions in the far effluent are water ion clusters, the most stable ion for all gas mixtures investigated, while a large variety of negative ions was found for different gas mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗