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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Printing of small molecular medicines from the vapor phase

There is growing need to develop efficient methods for early-stage drug discovery, continuous manufacturing of drug delivery vehicles, and ultra-precise dosing of high potency drugs. Here we demonstrate the use of solvent-free organic vapor jet printing to deposit nanostructured films of small molecular pharmaceutical ingredients, including caffeine, paracetamol, ibuprofen, tamoxifen, BAY 11-7082 and fluorescein, with accuracy on the scale of micrograms per square centimeter, onto glass, Tegaderm, Listerine tabs, and stainless steel microneedles. The printed films exhibit similar crystallographic order and chemistry as the original powders; controlled, order-of-magnitude enhancements of dissolution rate are observed relative to powder-form particles. In vitro treatment of breast and ovarian cancer cell cultures in aqueous media by tamoxifen and BAY 11-7082 films shows similar behavior to drugs pre-dissolved in dimethyl sulfoxide. In conclusion, the demonstrated precise printing of medicines as films, without the use of solvents, can accelerate drug screening and enable continuous manufacturing, while enhancing dosage accuracy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Rate Theory of Ion Pairing at the Water Liquid-Vapor Interface: A Case of Sodium Iodide

Studies of ion pairing at interfaces have been intensified recently because of their importance in many chemical reactive phenomena such as ion–ion interactions that are affected by interfaces and their influence on kinetic processes. In this study, we performed simulations to examine the thermodynamics and kinetics of small polarizable sodium iodide ions in the bulk and near the water liquid–vapor interface. Using classical transition state theory, we calculated the dissociation rates, and corrected them with transmission coefficients obtained from the reactive flux formalism and Grote-Hynes theory. Our results show that in addition to affecting the free energy of ions in solution, the interfacial environments significantly influence the kinetics of ion pairing. Results on the relaxation time obtained using the reactive flux formalism and Grote-Hynes theory present an unequivocal picture that the interface suppresses ion dissociation. The effects of the use of molecular models on the ion interactions as well as the ion-pair configurations at the interface also are quantified and discussed. Acknowledgments This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

Dang, Liem X.↗
DOE OSTI2015

High pressure studies using two-stage diamond micro-anvils grown by chemical vapor deposition

Ultra-high static pressures have been achieved in the laboratory using a two-stage micro-ball nanodiamond anvils as well as a two-stage micro-paired diamond anvils machined using a focused ion-beam system. The two-stage diamond anvils’ designs implemented thus far suffer from a limitation of one diamond anvil sliding past another anvil at extreme conditions. We describe a new method of fabricating two-stage diamond micro-anvils using a tungsten mask on a standard diamond anvil followed by microwave plasma chemical vapor deposition (CVD) homoepitaxial diamond growth. A prototype two stage diamond anvil with 300 μm culet and with a CVD diamond second stage of 50 μm in diameter was fabricated. We have carried out preliminary high pressure X-ray diffraction studies on a sample of rare-earth metal lutetium sample with a copper pressure standard to 86 GPa. Furthermore, the micro-anvil grown by CVD remained intact during indentation of gasket as well as on decompression from the highest pressure of 86 GPa.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Growth of magnesium diboride films on 2 inch diameter copper discs by hybrid physical–chemical vapor deposition

Magnesium diboride (MgB2) coating is a potential candidate to replace bulk niobium (Nb) for superconducting radio frequency cavities due to the appealing superconducting properties of MgB2. MgB2 coating on copper may allow cavity operation near 20–25 K as a result of the high transition temperature (T c) of MgB2 and excellent thermal conductivity of Cu. We have grown MgB2 films on 2 inch diameter Cu discs by hybrid physical–chemical vapor deposition for radio frequency characterization. Structural and elemental analyses showed a uniform MgB2 coating on top of a Mg–Cu alloy layer with occasional intrusion of Mg–Cu alloy regions. High T c values of around 37 K and high critical current density (J c) on the order of 107 A cm-2 at zero field were observed. Radio frequency measurements at 11.4 GHz confirmed a high T c and showed a quality factor (Q 0) much higher than for Cu and close to that of Nb.

Withanage, Wenura K.↗
DOE OSTI2018

Rapid feedback of chemical vapor deposition growth mechanisms by operando X-ray diffraction

An operando x-ray diffraction system is presented for elucidating optimal laser assisted chemical vapor deposition growth conditions. The technique is utilized to investigate deposition dynamics of boron-carbon materials using trimethyl borate precursor. Trimethyl borate exhibits vastly reduced toxicological and flammability hazards compared to existing precursors, but has previously not been applied to boron carbide growth. Crystalline boron-rich carbide material is produced in a narrow growth regime on addition of hydrogen during the growth phase at high temperature. Finally, the use of the operando x-ray diffraction system allows for the exploration of highly nonequilibrium conditions and rapid process control, which are not possible using ex situ diagnostics.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Laboratory measurements of the microwave opacity and vapor pressure of sulfuric acid vapor under simulated conditions for the middle atmosphere of Venus

Microwave absorption measurements at wavelengths of 13.4 and 3.6 cm were made in gaseous H2SO4 in a CO2 atmosphere under simulated conditions for the Venus middle atmosphere. The results suggest that abundances of gaseous H2SO4 on the order of 15-30 ppm could account for the absorption observed by radio occultation measurements at these wavelengths. They also imply that such abundances would correspond to saturation vapor pressure existing at or above the 46-48-km range, which correlates with the observed cloud base.

Steffes, P. G.↗
NASA NTRS1959

Propellant Vaporization as a Criterion for Rocket-Engine Design; Experimental Performance, Vaporization and Heat-Transfer Rates with Various Propellant Combinations

Experimental combustion efficiencies of eleven propellant combinations were determined as a function of chamber length. Efficiencies were measured in terms of characteristic exhaust velocities at three chamber lengths and in terms of gas velocities. The data were obtained in a nominal 200-pound-thrust rocket engine. Injector and engine configurations were kept essentially the same to allow comparison of the performance. The data, except for those on hydrazine and ammonia-fluorine, agreed with predicted results based on the assumption that vaporization of the propellants determines the rate of combustion. Decomposition in the liquid phase may be.responsible for the anomalous behavior of hydrazine. Over-all heat-transfer rates were also measured for each combination. These rates were close to the values predicted by standard heat-transfer calculations except for the combinations using ammonia.

Clark, Bruce J.↗
DOE OSTI2015

On the thermal stability of physical vapor deposited oxide-hardened nanocrystalline gold thin films

We describe a correlation between electrical resistivity and grain size for PVD synthesized polycrystalline oxide-hardened metal-matrix thin films in oxide-dilute (<5 vol. % oxide phase) compositions. The correlation is based on the Mayadas-Shatzkes (M-S) electron scattering model, predictive of grain size evolution as a function of composition in the oxide-dilute regime for 2 μm thick Au-ZnO films. We describe a technique to investigate grain boundary (GB) mobility and the thermal stability of GBs based on in situ electrical resistivity measurements during annealing experiments, interpreted using a combination of the M-S model and the Michels et al. model describing solute drag stabilized grain growth kinetics. Using this technique, activation energy and pre-exponential Arrhenius parameter values of E{sub a} = 21.6 kJ/mol and A{sub o} = 2.3 × 10{sup −17} m{sup 2}/s for Au-1 vol. % ZnO and E{sub a} = 12.7 kJ/mol and A{sub o} = 3.1 × 10{sup −18} m{sup 2}/s for Au-2 vol. % ZnO were determined. In the oxide-dilute regime, the grain size reduction of the Au matrix yielded a maximum hardness of 2.6 GPa for 5 vol. % ZnO. A combined model including percolation behavior and grain refinement is presented that accurately describes the composition dependent change in electrical resistivity throughout the entire composition range for Au-ZnO thin films. The proposed correlations are supported by microstructural characterization using transmission electron microscopy and electron diffraction mapping for grain size determination.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Growth of antiphase-domain-free GaP on Si substrates by metalorganic chemical vapor deposition using an in situ AsH{sub 3} surface preparation

Antiphase-domain (APD) free GaP films were grown on Si(100) substrates prepared by annealing under dilute AsH{sub 3} in situ in an MOCVD reactor. LEED and AES surface analysis of Si(100) surfaces prepared by this treatment show that AsH{sub 3} etching quickly removes O and C contaminants at a relatively low temperature (690–740 °C), and creates a single-domain “A-type” As/Si surface reconstruction. The resulting GaP epilayers grown at the same temperature are APD-free, and could thereby serve as templates for direct growth of III-V semiconductors on Si. This single chamber process has a low thermal budget, and can enable heteroepitaxial integration of III-Vs and Si at an industrial scale.

36 MATERIALS SCIENCE↗