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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination

Nanoporous graphene (NPG) shows tremendous promise as an ultra-permeable membrane for water desalination thanks to its atomic thickness and precise sieving properties. However, a significant gap exists in the literature between the ideal conditions assumed for NPG desalination and the physical environment inherent to reverse osmosis (RO) systems. In particular, the water permeability of NPG has been calculated previously based on very high pressures (1000–2000 bars). Does NPG maintain its ultrahigh water permeability under real-world RO pressures (<100 bars)? Here, we answer this question by drawing results from molecular dynamics simulations. Our results indicate that NPG maintains its ultrahigh permeability even at low pressures, allowing a permeate water flux of 6.0 l/h-bar per pore, or equivalently 1041 ± 20 l/m{sup 2}-h-bar assuming a nanopore density of 1.7 × 10{sup 13} cm{sup −2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Phase stability of some actinides with brannerite structure at high pressures

Structure behavior of actinide brannerites ThTi{sub 2}O{sub 6}, Y{sub 0.5}U{sub 0.5}Ti{sub 1.5}Nb{sub 0.5}O{sub 6} and their analog oxide CeTi{sub 2}O{sub 6} was studied at high pressure by using in situ x-ray diffraction, Raman scattering and infra-red absorption techniques, respectively. Brannerite structure was found to be not stable and started to become amorphous at pressures above 20 GPa. Some minor crystalline phase(s) due to phase decomposition was observed in all the three samples during pressurization. In addition, the observed bulk modulus indicated that the actinide-bearing brannerites are more compressible than their analog compound CeTi{sub 2}O{sub 6}, which may be related to the asymmetric 5f electron orbits of actinide elements. - Graphical abstract: Actinide-bearing compounds with brannerite structure and their analog CeTi{sub 2}O{sub 6} are not stable at high pressure. They were amorphized after {approx}20 GPa and a minor pressure-induced phase transition or decomposition process was always observed before amorphization. Highlights: > Phase stability of three brannerites CeTi{sub 2}O{sub 6}, ThTi{sub 2}O{sub 6}, and (U,Y)(Ti,Nb){sub 2}O{sub 6} at high pressures. > Brannerite structure was not stable and became amorphous after {approx}20 GPa. > Actinide-bearing brannerites are easier compressed than their analog compound CeTi{sub 2}O{sub 6}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The new high-pressure borate Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O-Formation of edge-sharing BO{sub 4} tetrahedra in a hydrated borate

The new borate hydrate Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O was synthesized under high-pressure/high-temperature conditions of 6 GPa and 880 Degree-Sign C in a Walker-type multianvil apparatus. The compound crystallizes in the orthorhombic space group Pbam (Z=2) with the lattice parameters a=819.0(2), b=2016.9(4), c=769.9(2) pm, V=1.2717(4) nm{sup 3}, R{sub 1}=0.0758, wR{sub 2}=0.0836 (all data). The new structure type of Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O is built up from corner-sharing BO{sub 4} tetrahedra forming corrugated layers, that are interconnected among each other by two edge-sharing BO{sub 4} tetrahedra (B{sub 2}O{sub 6} units) forming Z-shaped channels. Interestingly, the here presented structure of Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O is closely related to the structures of M{sub 6}B{sub 22}O{sub 39}{center_dot}H{sub 2}O (M=Fe, Co), which exhibit BO{sub 4} tetrahedra in an intermediate state on the way to edge-sharing BO{sub 4} tetrahedra. - Graphical Abstract: The new high-pressure borate hydrate Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O is built up from corner-sharing BO{sub 4} tetrahedra forming corrugated layers, that are interconnected among each other by two edge-sharing BO{sub 4} tetrahedra (B{sub 2}O{sub 6} units). In this paper we report on synthesis, structural details, and properties of the new compound Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O. Highlights: Black-Right-Pointing-Pointer High-pressure/high-temperature synthesis of the new borate hydrate Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O. Black-Right-Pointing-Pointer In the structure of Co{sub 7}B{sub 24}O{sub 42}(OH){sub 2}{center_dot}2 H{sub 2}O, two B{sub 2}O{sub 6} units are connected to 'vierer' rings. Black-Right-Pointing-Pointer Pressure favours the formation of edge-sharing BO{sub 4} tetrahedra in the chemistry of borates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

High-pressure behaviour of Cs{sub 2}V{sub 3}O{sub 8} fresnoite

Crystal structure of Cs{sub 2}V{sub 3}O{sub 8} fresnoite (P4bm, Z=2) has been studied using single-crystal X-ray diffraction in a diamond anvil cell to 8.6 GPa at room temperature. Cs{sub 2}V{sub 3}O{sub 8} undergoes a reversible first-order phase transition at about 4 GPa associated with anomalies in the pressure dependencies of the lattice parameters and unit-cell volume but without any symmetry change. Both structures consist of layers of corner-sharing V{sup 5+}O{sub 4} tetrahedra and V{sup 4+}O{sub 5} tetragonal pyramids separated by the Cs{sup +} cations located between the layers. At low pressures, the compression has little effect on the polarity of the structure. Above 4 GPa, the pseudosymmetry with respect to the corresponding centrosymmetric space group P4/mbm abruptly increases. The effects of external pressure and of the A{sup +} cation substitution in the vanadate fresnoites A{sub 2}V{sub 3}O{sub 8} (A{sup +}: K{sup +}, Rb{sup +}, NH{sub 4}{sup +}, Cs{sup +}) are discussed. - Graphical abstract: Non-centrosymmetric Cs{sub 2}V{sub 3}O{sub 8} undergoes a reversible first-order phase transition at about 4 GPa associated with an abrupt change of the pseudosymmetry with respect to the centrosymmetric space group P4/mbm. Display Omitted - Highlights: • High-pressure behaviour of vanadate fresnoites depends on alkali metal cations. • The size of the alkali metal cation determines whether the high-pressure phase is centrosymmetric. • No incommensurate structures are observed upon compression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Structural Behaviour of Uranium Sulfide under High Pressure

The study of pressure induced structural phase transition of uranium sulphide, which crystallizes in rock salt (B1) structure, has been performed using the well described three body interaction model (TBIPM). Our present TBIP model consists of long range coulombic interaction, three body interactions, Hafemeister and Flygare type short-range overlap repulsion extended upto the second neighbor ions and the van der Waals interaction. The present results are in good agreement with the available experimental data on the phase transition pressure (Pt = 80.2 GPa). So it can be considered as an adequate and suitable model to perform high pressure studies.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Compressibility Anomaly in Magnetic Heuslar Alloy Ni{sub 2}MnGa and Co{sub 2}FeSi

Results of synchrotron based high pressure x ray diffraction measurements on Heuslar alloys Ni{sub 2}MnGa and Co{sub 2}FeSi are reported up to 30.6 and 24.6 GPa respectively. Pressure volume data for Ni{sub 2}MnGa shows normal compressibility behaviour up to 30.6 GPa with the value of bulk modulus Bo and its pressure derivative B' as 130 GPa and 4.97 respectively. In case of Co{sub 2}FeSi, the P-V data shows normal behaviour upto 5 Gpa and hereafter linear P-V relation. The estimated ambient pressure compressibility based on data up to 5 GPa is 267 GPa (with B' = 4). The fit to linear P-V data above 5 GPa yields a compressibility of 279.5.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Magnetic susceptibility measurement of solid oxygen at pressures up to 3.3 GPa

The magnetic susceptibility of solid oxygen had long been observed only in the restricted pressure region below 0.8 GPa. We succeeded in extending the pressure region up to 3.3 GPa by clamping condensed oxygen in the sample chamber of a miniature diamond anvil cell and measuring the dc magnetic susceptibility using a superconducting quantum interference device magnetometer. In this experiment, the well-known α–β and β–γ transitions are observed in the phase diagram, suggesting consistency with the previous results of X-ray and Raman studies. In addition, a new magnetic anomaly is observed in the β phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Peculiarities of Magnetic Behavior of CuO Nanoparticles Produced by Plasma-Arc Synthesis in a Wide Temperature Range

Copper oxide nanoparticles, produced by direct plasmochemical synthesis in a low-pressure arc discharge plasma, show a wide variety of magnetic properties depending on the strength of the external magnetic field and the temperature. At low strength of the field and throughout the studied temperature range, the ferromagnetic state dominates. This state is caused by disordering of the spins on the surface of the nanoparticles. At high strength of the field and under temperatures of less than 200 K, nanoparticles exhibit a paramagnetic state due to the spin-glass behavior of copper atoms. At high strength of the field (more than 3 kOe) and under temperatures of above 300 K, the diamagnetic state of nanoparticles is observed, due to local eddy currents caused by oxygen vacancies. The temperature of antiferromagnetic ordering under study is significantly lowered (down to ∼ 100 K).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Direct current-self-sustained non-ambipolar plasma at low pressure

For decades, non-ambipolar diffusion has been observed and studied in laboratory plasmas that contain a double layer. However, self-sustained non-ambipolar plasma has yet to be demonstrated. This article reports the method and results for achieving such a condition at low pressure, with a wide power range (as low as 6 W). The findings reveal that to achieve self-sustained non-ambipolar plasma, both the balance between electron and ion heating and the space-potential gradient are critical. The plasma reactor developed in this work has potential applications that include microelectronic surface processing and space propulsion, via space-charge-neutral plasma-beam thruster, when operated in the high power regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

In situ flame chemistry tracing by imaging photoelectron photoion coincidence spectroscopy

Adaptation of a low-pressure flat flame burner with a flame-sampling interface to the imaging photoelectron photoion coincidence spectrometer (iPEPICO) of the VUV beamline at the Swiss Light Source is presented. The combination of molecular-beam mass spectrometry and iPEPICO provides a new powerful analytical tool for the detailed investigation of reaction networks in flames. First results demonstrate the applicability of the new instrument to comprehensive flame diagnostics and the potentially high impact for reaction mechanism development for conventional and alternative fuels. Isomer specific identification of stable and radical flame species is demonstrated with unrivaled precision. Radical detection and identification is achieved for the initial H-abstraction products of fuel molecules as well as for the reaction controlling H, O, and OH radicals. Furthermore, quantitative evaluation of changing species concentrations during the combustion process and the applicability of respective results for kinetic model validation are demonstrated. Utilization of mass-selected threshold photoelectron spectra is shown to ensure precise signal assignment and highly reliable spatial profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Sub-ambient carbon dioxide adsorption properties of nitrogen doped graphene

Carbon dioxide adsorption on carbon surface can be enhanced by doping the surface with heterogeneous atoms, which can increase local surface affinity. This study presents the carbon dioxide adsorption properties of nitrogen doped graphene at low pressures (<100 kPa). Graphene was exposed to nitrogen plasma, which dopes nitrogen atoms into carbon hexagonal lattice, mainly in pyridinic and pyrrolic forms. It is found that nitrogen doping significantly improves the CO{sub 2} adsorption capacity at all temperatures, due to the enrichment of local Lewis basic sites. In general, isotherm and thermodynamic parameters suggest that doped nitrogen sites have nearly same adsorption energy of surface defects and residual functional groups. The isosteric heat of adsorption remains in physisorption range, which falls with surface coverage, suggesting the distribution of magnitude of adsorption energy. The absolute values of isosteric heat and entropy of adsorption are slightly increased upon nitrogen doping.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

VIBRATIONALLY EXCITED C{sub 4}H

Rotational spectra in four new excited vibrational levels of the linear carbon chain radical C{sub 4}H were observed in the millimeter band between 69 and 364 GHz in a low pressure glow discharge, and two of these were observed in a supersonic molecular beam between 19 and 38 GHz. All have rotational constants within 0.4% of the X{sup 2}Σ{sup +} ground vibrational state of C{sub 4}H and were assigned to new bending vibrational levels, two each with {sup 2}Σ and {sup 2}Π vibrational symmetry. The new levels are tentatively assigned to the 1ν{sub 6} and 1ν{sub 5} bending vibrational modes (both with {sup 2}Π symmetry), and the 1ν{sub 6}+1ν{sub 7} and 1ν{sub 5}+1ν{sub 6} combination levels ({sup 2}Σ symmetry) on the basis of the derived spectroscopic constants, relative intensities in our discharge source, and published laser spectroscopic and quantum calculations. Prior spectroscopic constants in the 1ν{sub 7} and 2ν{sub 7} levels were refined. Also presented are interferometric maps of the ground state and the 1ν{sub 7} level obtained with the Submillimeter Array (SMA) near 257 GHz which show that C{sub 4}H is present near the central star in IRC+10216. We found no evidence with the SMA for the new vibrationally excited levels of C{sub 4}H at a peak flux density averaged over a 3{sup ′′} synthesized beam of ⩾0.15 Jy/beam in the 294–296 and 304–306 GHz range, but it is anticipated that rotational lines in the new levels might be observed in IRC+10216 when ALMA attains its full design capability.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Experimental and numerical investigations of electron density in low-pressure dual-frequency capacitively coupled oxygen discharges

The electron density is measured in low-pressure dual-frequency (2/60 MHz) capacitively coupled oxygen discharges by utilizing a floating hairpin probe. The dependence of electron density at the discharge center on the high frequency (HF) power, low frequency (LF) power, and gas pressure are investigated in detail. A (1D) particle-in-cell/Monte Carlo method is developed to calculate the time-averaged electron density at the discharge center and the simulation results are compared with the experimental ones, and general agreements are achieved. With increasing HF power, the electron density linearly increases. The electron density exhibits different changes with the LF power at different HF powers. At low HF powers (e.g., 30 W in our experiment), the electron density increases with increasing LF power while the electron density decreases with increasing LF power at relatively high HF powers (e.g., 120 W in our experiment). With increasing gas pressure the electron density first increases rapidly to reach a maximum value and then decreases slowly due to the combined effect of the production process by the ionization and the loss processes including the surface and volume losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Ion optical effects in a low pressure rf plasma

Ion optical effects in low pressure gas discharges are introduced as a novel input into low pressure plasma technology. They are based on appropriate geometrical plasma confinements which enable a control of the shape of internal density and potential distributions and, hence, the ion motion in the plasma bulk. Such effects are exemplified for an electron cyclotron wave resonance plasma in Ar at 1–5 × 10{sup −3} millibars. The geometry of the plasma chamber is modified by a conical and a cylindrical insert. Computer simulations display spherical plasma density contours to be formed around the conical confinement. This effects an increase of the ratio of the ion currents into the conical and the cylindrical inserts which depends on the fourth power of the plasma electron temperature. A quantitative understanding of this behavior is presented. As another essential result, the shape of the internal plasma contours is found to be independent of the pressure controlled plasma parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2001

Preliminary Results of Field Emission Cathode Tests

Preliminary screening tests of field emission cathodes such as chemical vapor deposited (CVD) diamond, textured pyrolytic graphite, and textured copper were conducted at background pressures typical of electric thruster test facilities to assess cathode performance and stability. Very low power electric thrusters which provide tens to hundreds micronewtons of thrust may need field emission neutralizers that have a capability of tens to hundreds of microamperes. From current voltage characteristics, it was found that the CVD diamond and textured metals cathodes clearly satisfied the Fowler-Nordheim emission relation. The CVD diamond and a textured copper cathode had average current densities of 270 and 380 mA/sq cm, respectively, at the beginning-of-life. After a few hours of operation the cathode emission currents degraded by 40 to 75% at background pressures in the 10(exp -5) Pa to 10(exp -4) Pa range. The textured pyrolytic graphite had a modest current density at beginning-of-life of 84 mA/sq cm, but this cathode was the most stable of all. Extended testing of the most promising cathodes is warranted to determine if current degradation is a burn-in effect or whether it is a long-term degradation process. Preliminary experiments with ferroelectric emission cathodes, which are ceramics with spontaneous electric polarization, were conducted. Peak current densities of 30 to 120 mA/sq cm were obtained for pulse durations of about 500 ns in the 10(exp -4) Pa pressure range.

Sovey, James S.↗
DOE OSTI2014

Multifunctional ultra-high vacuum apparatus for studies of the interactions of chemical warfare agents on complex surfaces

A fundamental understanding of the surface chemistry of chemical warfare agents is needed to fully predict the interaction of these toxic molecules with militarily relevant materials, catalysts, and environmental surfaces. For example, rules for predicting the surface chemistry of agents can be applied to the creation of next generation decontaminants, reactive coatings, and protective materials for the warfighter. Here, we describe a multifunctional ultra-high vacuum instrument for conducting comprehensive studies of the adsorption, desorption, and surface chemistry of chemical warfare agents on model and militarily relevant surfaces. The system applies reflection-absorption infrared spectroscopy, x-ray photoelectron spectroscopy, and mass spectrometry to study adsorption and surface reactions of chemical warfare agents. Several novel components have been developed to address the unique safety and sample exposure challenges that accompany the research of these toxic, often very low vapor pressure, compounds. While results of vacuum-based surface science techniques may not necessarily translate directly to environmental processes, learning about the fundamental chemistry will begin to inform scientists about the critical aspects that impact real-world applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Development of a new dynamic gas flow-control system in the pressure range of 1 Pa-133 Pa

A new flow-control system (FCS-705) has been developed at Korea Research Institute of Standards and Science. The system is intended for calibration of vacuum gauges in the pressure range of 1 Pa-133 Pa by comparison method. This paper describes some basic characteristics of the system including; (1) the design and construction of the system, (2) the generation of stable pressures in the chamber, (3) achieving high upstream pressure limit by installing a short duct in the by-pass pumping line, and (4) investigation of the gas flow regimes within the short duct.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Physical Characterization of Bacterial Cellulose Produced by Komagataeibacter medellinensis Using Food Supply Chain Waste and Agricultural By-Products as Alternative Low-Cost Feedstocks

Bacterial cellulose (BC), which is a hemicellulose- and lignin-free type of cellulose with unique properties, was produced by Komagataeibacter medellinensis, a new acid-resistant bacterial strain, using not suitable human consumption and sub-valorized food supply chain waste (FSCW) and agricultural by-products, namely, rotten banana, rotten mango and cheese whey. The BC was analyzed using Fourier transform infrared (ATR-FTIR) , tensile test, atomic absorption spectroscopy and thermogravimetric analysis. The properties of the BC obtained from each culture medium used were different, ranging from a material with high resistance and stiffness (280.6 MPa, 9.4 GPa) to a material with low resistance and less stiffness (17.7 MPa, 0.8 GPa). These properties provide considerable opportunities for obtaining different materials with multiple applications, such as composite reinforcements, wound dressings and edible films. The highest production of BC was achieved with rotten banana medium, and this BC also had the highest tensile properties. Meanwhile, the BC produced from cheese whey medium had the highest maximum rate of degradation temperature at 368 °C. This research demonstrated that FSCW and agrowaste by-products are advantageous alternative feedstocks in terms of economics and environmental concerns for producing BC with multiple properties and fields of application.

36 MATERIALS SCIENCE↗