Search NASA⌕ Search

SEARCH · Search NASA

Results for “Activity coefficient”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Adhesion and friction of iron-base binary alloys in contact with silicon carbide in vacuum

Single pass sliding friction experiments were conducted with various iron base binary alloys (alloying elements were Ti, Cr, Mn, Ni, Rh, and W) in contact with a single crystal silicon carbide /0001/ surface in vacuum. Results indicate that atomic size and concentration of alloying elements play an important role in controlling adhesion and friction properties of iron base binary alloys. The coefficient of friction generally increases with an increase in solute concentration. The coefficient of friction increases linearly as the solute to iron atomic radius ratio increases or decreases from unity. The chemical activity of the alloying elements was also an important parameter in controlling adhesion and friction of alloys, as these latter properties are highly dependent upon the d bond character of the elements.

Miyoshi, K.↗
NASA NTRS1983

Aileron effectiveness for a subsonic transport model with a high-aspect-ratio supercritical wing

Aileron effectiveness for a subsonc energy efficient transport (EET) model with a high aspect ratio supercritical wing was determined in the 8-foot transonic pressure tunnel. Data are presented for ailerons located at three positions along the wing span. The ailerons were designed as a preliminary active control concept with gust load alleviation, maneuver load alleviation, and flutter suppression systems. A linear variation of rolling moment coefficient with angle of attack for individual and multiple aileron deflections at Mach numbers up to 0.81 is indicated. For Mach numbers greater than 0.81, the rolling moment coefficient data become nonlinear with increasing angle of attack. At Mach numbers near the design value increased aileron effectiveness resulted from aft transition locations, which produced relatively thin boundary layers and greater effective aileron deflections. Individual aileron deflections on the right wing panel produced only small effects on yawing moment and side force coefficients.

Jacobs, P. F.↗
NASA NTRS1990

Long-term orbital lifetime predictions

Long-term orbital lifetime predictions are analyzed. Predictions were made for three satellites: the Solar Max Mission (SMM), the Long Duration Exposure Facility (LDEF), and the Pegasus Boiler Plate (BP). A technique is discussed for determining an appropriate ballistic coefficient to use in the lifetime prediction. The orbital decay rate should be monitored regularly. Ballistic coefficient updates should be done whenever there is a significant change in the actual decay rate or in the solar activity prediction.

Dreher, P. E.↗
NASA NTRS1991

Calculations concerning the reaction C + H3(+) - CH(+) + H2

The ion-molecule reaction of C + H3(+) - CH(+) + H2 has not been studied in the laboratory but is thought to be important in the gas phase synthesis of organic molecules in dense interstellar clouds. This reaction was studied theoretically by performing quantum chemical ab initio calculations on the potential surface. It is found that there is no activation barrier to the reaction and that it proceeds smoothly to the first excited electronic state of CH(+). The rate coefficient as a function of temperature can then be estimated using the proper long-range potentials. The rate coefficient at 10 K is calculated to be 2.9 x 10 to the -9th cu cm/sec.

Talbi, D.↗
NASA NTRS1995

Micro-mechanics of micro-composites

The Structural Dynamics branch at NASA LaRC is working on developing an active passive mount system for vibration control. Toward this end a system utilizing piezoelectric actuators is currently being utilized. There are limitations to the current system related to space applications under which it is desired to eliminate deformations in the actuators associated with thermal effects. In addition, a material that is readily formable into complex shapes and whose mechanical properties can be optimized with regards to vibration control would be highly desirable. Microcomposite material are currently under study to service these needs. Microcomposite materials are essentially materials in which particles on the scale of microns are bound together with a polyimide (LaRC Si) that has been developed at LaRC. In particular a micro-composite consisting of LaRC Si binder and piezoelectric ceramic particles shows promise in satisfying the needs of the active passive mount project. The LaRC/ Si microcomposite has a unique combination of piezoelectric properties combined with a near zero coefficient of thermal expansion and easy machinability. The goal of this ASEE project is to develop techniques to analytically determine important material properties necessary to characterize the dynamic properties of actuators and mounts made from the LaRC Si / ceramic microcomposite. In particular, a generalized method of cells micromechanics originally developed at NASA Lewis is employed to analyze the microstructural geometry of the microcomposites and predict the overall mechanical properties of the material. A testing program has been established to evaluate and refine the GMC approach to these materials. In addition, a theory of mixtures analysis is being developed that utilizes the GMC micromechanics information to analyze complex behavior of the microcomposite material which has a near zero CTE.

Donovan, Richard P.↗
NASA NTRS1995

Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

Pallix, Joan B.↗
NASA NTRS1977

Solar-generated quasi-biennial geomagnetic variation

The existence of highly correlated quasi-biennial variations in the geomagnetic field and in solar activity is demonstrated. The analysis uses a numerical filter technique applied to monthly averages of the geomagnetic horizontal component and of the Zurich relative sunspot number. Striking correlations are found between the quasi-biennial geomagnetic variations determined from several magnetic observatories located at widely different longitudes, indicating the worldwide nature of the obtained variation. The correlation coefficient between the filtered Dst index and the filtered relative sunspot number is found to be -0.79 at confidence level greater than 99% with a time lag of 4 months, solar activity preceding the Dst variation. The correlation between the unfiltered data of Dst and those of the sunspot number is also high with a similar time lag. Such a time lag has not been discussed in the literature, and a further study is required to establish the mode of sun-earth relationship that gives this time delay.

Sugiura, M.↗
DOE OSTI2018

The Relationship between the Relative Solvating Power of Electrolytes and Shuttling Effect of Lithium Polysulfides in Lithium-Sulfur Batteries

Relative solvating power, that is, the ratio of the coordination ratios between a solvent and the reference solvent, was used to probe the quantitative structure–activity relationship of electrolyte solvents and the lithium polysulfide (LiPS) dissolution in lithium–sulfur batteries. Internally referenced diffusion-ordered nuclear magnetic resonance spectroscopy (IR-DOSY) was used to determine the diffusion coefficient and coordination ratio, from which the relative solvating power can be easily measured. The higher the relative solvating power of an ethereal solvent, the more severe will be the LiPS dissolution and the lower the coulombic efficiency of the lithium–sulfur battery. A linear relationship was established between the logarithm of relative solvating power of a solvent and the degree of LiPS dissolution, rendering relative solvating power an important parameter in choosing the electrolyte solvent for lithium–sulfur batteries.

Su, Chi-Cheung↗
NASA NTRS1994

Neotectonics of Asia: Thin-shell finite-element models with faults

As India pushed into and beneath the south margin of Asia in Cenozoic time, it added a great volume of crust, which may have been (1) emplaced locally beneath Tibet, (2) distributed as regional crustal thickening of Asia, (3) converted to mantle eclogite by high-pressure metamorphism, or (4) extruded eastward to increase the area of Asia. The amount of eastward extrusion is especially controversial: plane-stress computer models of finite strain in a continuum lithosphere show minimal escape, while laboratory and theoretical plane-strain models of finite strain in a faulted lithosphere show escape as the dominant mode. We suggest computing the present (or neo)tectonics by use of the known fault network and available data on fault activity, geodesy, and stress to select the best model. We apply a new thin-shell method which can represent a faulted lithosphere of realistic rheology on a sphere, and provided predictions of present velocities, fault slip rates, and stresses for various trial rheologies and boundary conditions. To minimize artificial boundaries, the models include all of Asia east of 40 deg E and span 100 deg on the globe. The primary unknowns are the friction coefficient of faults within Asia and the amounts of shear traction applied to Asia in the Himalayan and oceanic subduction zones at its margins. Data on Quaternary fault activity prove to be most useful in rating the models. Best results are obtained with a very low fault friction of 0.085. This major heterogeneity shows that unfaulted continum models cannot be expected to give accurate simulations of the orogeny. But, even with such weak faults, only a fraction of the internal deformation is expressed as fault slip; this means that rigid microplate models cannot represent the kinematics either. A universal feature of the better models is that eastern China and southeast Asia flow rapidly eastward with respect to Siberia. The rate of escape is very sensitive to the level of shear traction in the Pacific subduction zones, which is below 6 MPa. Because this flow occurs across a wide range of latitudes, the net eastward escape is greater than the rate of crustal addition in the Himalaya. The crustal budget is balanced by extension and thinning, primarily within the Tibetan plateau and the Baikal rift. The low level of deviation stresses in the best models suggests that topographic stress plays a major role in the orogeny; thus, we have to expect that different topography in the past may have been linked with fundamentally different modes of continental collision.

Kong, Xianghong↗
NASA NTRS2011

Piezoelectrically Enhanced Photocathodes

Doping of photocathodes with materials that have large piezoelectric coefficients has been proposed as an alternative means of increasing the desired photoemission of electrons. Treating cathode materials to increase emission of electrons is called "activation" in the art. It has been common practice to activate photocathodes by depositing thin layers of suitable metals (usually, cesium). Because cesium is unstable in air, fabrication of cesiated photocathodes and devices that contain them must be performed in sealed tubes under vacuum. It is difficult and costly to perform fabrication processes in enclosed, evacuated spaces. The proposed piezoelectrically enhanced photocathodes would have electron-emission properties similar to those of cesiated photocathodes but would be stable in air, and therefore could be fabricated more easily and at lower cost. Candidate photocathodes include nitrides of elements in column III of the periodic table . especially compounds of the general formula Al(x)Ga(1.x)N (where 0< or = x < or =.1). These compounds have high piezoelectric coefficients and are suitable for obtaining response to ultraviolet light. Fabrication of a photocathode according to the proposal would include inducement of strain in cathode layers during growth of the layers on a substrate. The strain would be induced by exploiting structural mismatches among the various constituent materials of the cathode. Because of the piezoelectric effect in this material, the strain would give rise to strong electric fields that, in turn, would give rise to a high concentration of charge near the surface. Examples of devices in which piezoelectrically enhanced photocathodes could be used include microchannel plates, electron- bombarded charge-coupled devices, image tubes, and night-vision goggles. Piezoelectrically enhanced photocathode materials could also be used in making highly efficient monolithic photodetectors. Highly efficient and stable piezoelectrically enhanced, ultraviolet-sensitive photocathodes and photodetectors could be fabricated by use of novel techniques for growing piezoelectrically enhanced layers, in conjunction with thinning and dopant-selective etching techniques.

Beach, Robert A.↗
DOE OSTI2024

Carrier diffusion in long wavelength InGaN quantum well LEDs after injection through V-defects

The efficiency of operation of GaN-based light emitting diodes (LEDs) to a large degree relies on realization of a uniform hole distribution between multiple quantum wells (QWs) of the active region. Since the direct thermionic transport between the QWs is inefficient, the hole injection through semipolar {$10\bar{1}1$} QWs that form on the facets of V-defects has been suggested as an alternative approach. However, for an efficient LED operation, the carrier distribution should be uniform not only vertically, between the QWs but also laterally, within individual QWs. In this work, the lateral carrier distribution in long wavelength InGaN/GaN QW LEDs is studied by the scanning near-field optical microscopy. The measurements have shown that emission is concentrated around the V-defect injectors. At high currents, the diffusion length of holes in polar QWs was found to be ∼0.6–1 μm and the hole diffusion coefficient ∼0.6 cm 2 /s. The obtained data should aid design of the V-defect injectors for a laterally uniform carrier distribution in the active region QWs.

Current crowding↗
DOE OSTI2017

Diffusion coefficients of transition metals in fcc cobalt

Using first-principles density functional theory (DFT), we calculate the diffusivities of 32 different solute elements—all transition metals, together with Al and Si—in fcc cobalt within the formalism of the five-frequency model. For self-diffusion in fcc cobalt, we compare the accuracy of various approximations to the exchange-correlation energy functional of DFT in estimating the activation energy, and find that only the Perdew-Burke-Ernzerhof (PBE) approximation agrees well with experimental reports and all other functionals largely overestimate it. Our calculations also show that an accurate estimation of the self-diffusion coefficient requires explicit calculation of the effective jump frequency and vacancy formation entropy via phonons. Using accurate self-diffusion data and scaling all solute-related attempt frequencies with respect to the attempt frequency for self-diffusion using a simple relation involving the atomic mass and melting temperature of the solute yields solute diffusivities in excellent agreement with experiments, where such data is available. Additionally, we find that large solutes spontaneously relax toward the nearest neighbor vacancy to relieve the misfit strain, and the extent of this relaxation correlates negatively with the migration energy. Thus, in general, larger solutes have lower migration energies and diffuse faster than smaller solutes in fcc cobalt. However, extremely large solutes, e.g., group III elements Sc, Y, Lu, tend to be trapped in an energy valley located halfway toward the vacancy, and monovacancy mediated diffusion may no longer be valid in such cases. Finally, for all the solutes considered, we systematically tabulate the diffusion-related quantities calculated—diffusion prefactors, migration and activation energies—constructing an extensive and accurate first-principles database for solute diffusion in fcc cobalt.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Approach to Evaluating Reorganization Energies of Interfacial Electrochemical Reactions

Reaction rate coefficients for electron-transfer processes at the electrode–electrolyte interface are commonly estimated by using the Butler–Volmer equation, but their values are inaccurate beyond a few tenths of volts of overpotential. The Marcus–Hush–Chidsey (MHC) formalism yields correct asymptotic behavior of the rate coefficients vs applied overpotential but has complex dependencies on the redox system’s intrinsic parameters, which can be difficult to model or measure. In this work, we bridge the two kinetics formalisms to estimate the reorganization energy, one of the important parameters for the MHC formalism, and investigate its dependence on other intrinsic parameters such as activation barriers, electronic coupling strength, and the density of states of the electrode surface. We examine the sensitivity of the reorganization energy to these parameters, establish some general relationships for accurately predicting rate coefficients using the MHC formalism over a wide range of applied overpotentials, and compare this approach to calculating MHC rate constants with other empirical approaches for the mechanisms of CO 2 reduction on different metal electrode surfaces.

Butler−Volmer↗
NASA NTRS2018

The Impacts of Recent Drought on Fire, Forest Loss, and Regional Smoke Emissions in Lowland Bolivia

In the southern Amazon relationships have been established among drought, human activities that cause forest loss, fire, and smoke emissions. We explore the impacts of recent drought on fire, forest loss, and atmospheric visibility in lowland Bolivia. To assess human influence on fire, we consider climate, fire, and vegetation dynamics in an area largely excluded from human activities since 1979, Noel Kempff Mercado National Park (NK) in northeastern Bolivia. We use data from five sources: the Moderate Resolution Imaging Spectroradiometer Collection 6 active fire product (2001-2015) (MODIS C6), Global Fire Weather Database (GFWED) data (1982-2015), MODIS land cover data (2001-2010), MODIS forest loss data (2000-2012), and the regional extinction coefficient for the southwestern Amazon (i.e., B(sub ext)), which is derived from horizontal visibility data from surface stations at the World Meteorological Organization (WMO) level (1973-2015). The B(sub ext) is affected by smoke and acts as a proxy for visibility and regional fire emissions. In lowland Bolivia from 2001 to 2015, interannual Drought Code (DC) variability was linked to fire activity, while from 1982 to 2015, interannual DC variability was linked to B(sub ext). From 2001 to 2015, the B(sub ext) and MODIS C6 active fire data for lowland Bolivia captured fire seasonality, and covaried between low- and high-fire years. Consistent with previous studies, our results suggest B(sub ext)t can be used as a longer-term proxy of regional fire emissions in southwestern Amazonia. Overall, our study found drought conditions were the dominant control on interannual fire variability in lowland Bolivia, and fires within NK were limited to the Cerrado and seasonally inundated wetland biomes. Our results suggest lowland Bolivian tropical forests were susceptible to human activities that may have amplified fire during drought. Human activities and drought need to be considered in future projections of southern Amazonian fire, in regard to carbon emissions and global climate.

Forest Loss↗
NASA NTRS1989

The radiative signature of the shock acceleration process in active galactic nuclei

A time-dependent model in which plasma enters a shock region and undergoes first-order Fermi acceleration is considered. The time evolution of the particle distribution and the associated synchrotron emission has been calculated for an energy-dependent diffusion coefficient. When the emitting region is not spatially resolved, the spectrum is a power law with an exponential turnover in frequency. With increasing time, the power law and the turnover extend to higher frequencies. To test the model, observations at three or more frequencies should be made of time-resolved flux increases from the optically thin nonthermal emission region in variable active galactic nuclei. Existing data that can be used to test the model are scarce but offer qualitative support.

Bregman, Joel N.↗
NASA NTRS1977

Solar generated quasi-biennial geomagnetic variation

The existence of highly correlated quasi-biennial variations in the geomagnetic field and in solar activity is demonstrated. The analysis uses a numerical filter technique applied to monthly averages of the geomagnetic horizontal component and of the Zurich relative sunspot number. Striking correlations are found between the quasi-biennial geomagnetic variations determined from several magnetic observatories located at widely different longitudes, indicating a worldwide nature of the obtained variation. The correlation coefficient between the filtered Dst index and the filtered relative sunspot number is found to be -0.79 at confidence level greater than 99% with a time-lag of 4 months, with solar activity preceding the Dst variation. The correlation between the unfiltered data of Dst and of the sunspot number is also high with a similar time-lag. Such a timelag has not been discussed in the literature, and a further study is required to establish the mode of sun-earth relationship that gives this time delay.

Sugiura, M.↗
DOE OSTI2026

Statistical Uncertainty of Inhalation Dose Coefficients: Impact of Particle Deposition in ICRP 66 Human Respiratory Tract Model

Inhaled radioactive materials can pose a long-term health concern, as the material can be incorporated into the body’s metabolic pathways and remain in organs and tissues for extended durations. During the retention period, the radioactive material may localize in a source organ and irradiate adjacent target organs and tissues. Distribution of these materials changes over time, requiring biokinetic modeling to evaluate their movement through various tissues and organs. The evolving distribution depends on multiple inputs characterizing the inhaled material, such as particle size and size distribution, particle density, aspect ratio, specific radionuclide, the chemical form, and solubility. In addition, biological parameters such as breathing rate, breathing type (nasal or nasal/oral), respiratory system morphometry, tidal volume, functional residual capacity, and anatomical dead space all influence material transport. These aerosol properties and physiological characteristics of the respiratory tract jointly define a range of initial conditions that influence the time-dependent distribution of radioactive material. To evaluate both uncertainty in the initial conditions of inhalation exposure and the final output (committed effective dose) from biokinetic models, a Python-based software tool, Radiological Exposure Dose Calculator (REDCAL), was developed to propagate uncertainty within the human respiratory tract model. Focusing on deposition fraction uncertainty, the primary objective was to characterize the initial activity distribution across respiratory regions as a function of anticipated particle sizes and distributions. The impact of the deposition fraction uncertainty was propagated to committed effective dose coefficients for selected radionuclides in a companion publication. For each particle size, a lognormal distribution, characterized by its geometric mean as defined within ICRP Publication 66, serves as the basis for introducing uncertainty into the physical processes governing deposition in various lung regions. Finally, this study addresses the deposition process and examines how uncertainty in deposition mechanisms affects activity distribution in the airways, ultimately presenting the expected range and standard deviation of deposited activity as a function of particle size.

International Commission on Radiological Protectio↗
DOE OSTI2019

Structural and electronic properties of the spin-filter material CrVTiAl with disorder

The effects of chemical disorder on the electronic properties of the spin-filter material CrVTiAl are investigated experimentally and theoretically. Synchrotron X-ray diffraction experiments on bulk CrVTiAl and the associated Rietveld analysis indicate that the crystal structure consists primarily of a mixture of a partially ordered B2 phase, a fully disordered A2 phase, and a small component of an ordered L2 1 or Y phase. High temperature resistivity measurements confirm the existence of a bandgap. First-principles, all-electron, self-consistent electronic structure computations show that the chemically disordered A2 and B2 phases are metallic, while the spin-filter properties of the ideal Y-type phase are preserved in the presence of L2 1 disorder (Cr and V mixing). The Hall coefficient is found to decrease with increasing temperature, similar to the measured increase in the conductivity, indicating the presence of thermally activated semiconductor-like carriers.

36 MATERIALS SCIENCE↗