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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Interactions on External MOF Surfaces: Desorption of Water and Ethanol from CuBDC Nanosheets

The external surfaces of metal-organic framework (MOF) materials are difficult to experimentally isolate due to the high porosities of these materials. MOF surface surrogates in the form of copper benzenedicarboxylate (CuBDC) nanosheets were synthesized using a bottomup approach and the surface interactions of water and ethanol were investigated by temperature programmed desorption (TPD). A method of analysis of diffusion-influenced TPD was developed to measure the desorption properties of these porous materials. This approach also allows the extraction of diffusion coefficients from TPD data. The transmission Fourier transform infrared spectra, powder X-ray diffraction patterns and TPD data indicate that water desorbs from CuBDC nanosheets with activation energies of 44±2 kJ/mol at edge sites and 58 ± 1 kJ/mol at external surface and internal and pore sites. Ethanol desorbs with activation energies of 58 ± 1 kJ/mol at internal pore sites and 66 ± 0.4 kJ/mol at external surface sites. Co-adsorption of water and ethanol was also investigated. The presence of ethanol was found to inhibit the desorption of water that results in a water desorption process with an activation energy of 68 ± 0.7 kJ/mol.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Monolithic AlScN/SiC phononic waveguides for scalable acoustoelectric and quantum devices

Unlike conventional surface acoustic wave devices, phononic waveguide systems enable higher circuit density and stronger strain and piezoelectric fields, making them promising for advanced acoustoelectric and quantum applications. One such material system for generating and guiding phonons at gigahertz frequencies is AlScN on SiC, which can be synthesized by sputter depositing AlScN directly onto SiC wafers. The AlScN on the SiC platform allows for tightly vertically-confined acoustic modes with high electromechanical coupling, high speed of sound, and simple fabrication of strip and rib waveguides. Until now, this system has only been studied as a slab waveguide platform, i.e., without any lateral waveguiding. Here, we demonstrate a two-dimensionally confined phononic architecture in AlScN on SiC that supports guided modes at 2.95 and 4.05 GHz. These modes exhibit strong electromechanical coupling coefficients (k 2 = 4.27%) and propagation losses on the order of 10 dB/mm. Furthermore, this architecture is well-suited for phononic routing and power-efficient active or nonlinear devices such as amplifiers, mixers, and oscillators, and is compatible with the integration of quantum systems, including vacancy centers, charge carriers, photons, and spins, either embedded in SiC or heterogeneously integrated on the surface.

Electrical components↗
DOE OSTI2017

Network-Cognizant Voltage Droop Control for Distribution Grids

Our paper examines distribution systems with a high integration of distributed energy resources (DERs) and addresses the design of local control methods for real-time voltage regulation. Particularly, the paper focuses on proportional control strategies where the active and reactive output-powers of DERs are adjusted in response to (and proportionally to) local changes in voltage levels. The design of the voltage-active power and voltage-reactive power characteristics leverages suitable linear approximation of the AC power-flow equations and is network-cognizant; that is, the coefficients of the controllers embed information on the location of the DERs and forecasted non-controllable loads/injections and, consequently, on the effect of DER power adjustments on the overall voltage profile. We pursued a robust approach to cope with uncertainty in the forecasted non-controllable loads/power injections. Stability of the proposed local controllers is analytically assessed and numerically corroborated.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

A Multi-Instrument Cloud Condensation Nuclei Spectrum Product (Final Technical Report)

A wealth of observational data exists on the characteristics of atmospheric particulate matter, over multiple years, at the DOE ARM Southern Great Plains (SGP) Central Facility site. This site is located in a region of the country that frequently experiences weather extremes, and that is removed from many local sources of pollution but is affected by transported smoke, dust, and urban emissions. The relationships between particulate matter, cloud formation and evolution, and precipitation are therefore of strong interest, and are being explored via modeling on a variety of scales. These models require as input detailed information on the characteristics of particles capable of serving as the nuclei for cloud formation. Sufficient data exist to be able to put together a picture of the nature of the total aerosol and the cloud condensation nuclei (CCN) subset, and their variability, through merged data products. This study was aimed at exploiting the multiple measurement types at SGP to develop the first such multi-year estimates. Further, the resulting data were analyzed to understand temporal patterns ranging from hourly to seasonal, thereby gaining insights into the particle sources affecting the atmosphere in this region. DOE-funded datasets that were analyzed in this study include total particle number concentrations, submicron aerosol scattering coefficients, dry aerosol size distributions, and more recently, time-resolved submicron aerosol chemical composition. Data are also available for the number concentrations of particles that are activated in a cloud condensation nucleus instrument at a series of setpoint supersaturations, providing direct observations of the number concentrations of “CCN”. This variable is the quantity that is generally desired for inclusion in numerical models that seek to represent and predict the impacts of varying aerosol characteristics on the formation and microphysical properties of clouds. One limitation of the use of direct CCN observations is that they are not available for supersaturations larger than about 1%, which is insufficient for deep convection and may be insufficient even for shallow convection, depending on the nature of the available CCN and the dynamics of the cloud. We developed a data-based approach to representing the full aerosol size spectrum with size-dependent hygroscopicity, and used this to extrapolate CCN spectra beyond the limited measurements. Five years of SGP aerosol data (2009 -2013) were analyzed. As a side product of our work, we identified and communicated several previously-unflagged data quality issues. The resulting merged aerosol distributions, along with fits for seasonal averages, were published and submitted to the ARM archive as a special value-added product (VAP; submitted as a PI product). CCN spectra were computed for the same data period and will similarly be published and submitted to the archive for use by the community. We also note that our methodologies and findings have been discussed at several Joint ARM User Facility/Atmospheric System Research (ASR) Principal Investigators Meetings and that recent ARM/ASR aerosol data reporting strategies have included similar ideas for data merging, indicating that this work has had a lasting impact on ARM aerosol data acquisition and reporting. The proposed work advances the science of the interactions of aerosols, clouds and precipitation, with direct application to improve representation of such interactions for clouds in regional and global climate models. The archived data will continue to serve research studies in the future.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

Studies of some unconventional systems for solving various landing problems

Solutions to various landing problems were obtained through unconventional systems. The first, of these is the air cushion landing system, where efforts were concentrated on development of adequate braking and steering systems and an improved understanding of scaling laws and behavior. The second was concentrated on use of a wire brush skid as a drag producing device, which was shown to have good friction coefficients and reasonable wear rates at ground bearing pressures up to 689 kPa and forward speeds up to 80 km/hr. The third showed great promise in an active control landing gear where significant load reductions were possible during landing impact and subsequent rollout.

Leland, T. J.↗
NASA NTRS1985

The effect of the neutral sheet structure of the interplanetary magnetic field on cosmic ray distribution in space

Results of the numerical solution of the anistoropic diffusion equation are presented. The modulation depth of galactic cosmic rays is defined by the degree of curvature of the neutral current sheet in the heliosphere. The effect of the regular interplanetary magnetic field (IMF) on cosmic ray anisotropy in the period of solar activity minimum (in 1976) is analyzed by the data of the neutron super-monitors of the world network, and the heliolatitudinal gradient and cosmic ray diffusion coefficient are defined.

Alania, M. V.↗
NASA NTRS1989

Aeroservoelastic modeling and applications using minimum-state approximations of the unsteady aerodynamics

The theoretical basis of flexible-aircraft modeling techniques encompassing aerodynamic, control, and elastic-structure effects is investigated analytically, with a focus on methods which employ minimum-state approximations for the unsteady aerodynamics. Rational-function approximations to generalized aerodynamic forces are reviewed; constraints and lag-coefficient optimization are explained; the problem of physical weighting in the minimum-state equations of motion is examined; and results of typical analyses from the NASA Active Flexible Wing project (Perry et al., 1988) are presented in extensive tables and graphs and discussed in detail. The minimum-state approach is shown to produce accurate models at significantly reduced computation costs.

Tiffany, Sherwood H.↗
NASA NTRS2008

CALIPSO Observations of Volcanic Aerosol in the Stratosphere

In the stratosphere, the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) has observed the presence of aerosol plumes associated with the eruptions several volcanoes including Montserrat (May 2006), Chaiten (May 2008), and Kasatochi (August 2008). While the dense ash plumes from these eruptions dissipate relatively quickly, CALIPSO continued to detect an enhanced aerosol layer from the Montserrat eruption from the initial observations in June 2006 well into 2008. Solar occultation missions were uniquely capable of monitoring stratospheric aerosol. However, since the end of long-lived instruments like the Stratospheric Aerosol and Gas Experiment (SAGE II), there has been no clear space-based successor instrument. A number of active instruments, some employing new techniques, are being evaluated as candidate sources of stratospheric aerosol data. Herein, we examine suitability of the CALIPSO 532-nm aerosol backscatter coefficient measurements.

Thomason, Larry W.↗
NASA NTRS2015

CFD Modeling of the Multipurpose Hydrogen Test Bed (MHTB) Self-Pressurization and Spray Bar Mixing Experiments in Normal Gravity: Effect of Accommodation Coefficient on the Tank Pressure

In this paper, a computational model that describes pressure control phase of a typical MHTB experiment will be presented. The fidelity of the model will be assessed by comparing the models predictions with MHTB experimental data. In this paper CFD results for MHTB spray bar cooling case with 50 tank fill ratio will be presented and analyzed. Effect of accommodation coefficient for calculating droplet-ullage mass transfer will be evaluated.

cryogenic fluid storage↗
NASA NTRSDate not supplied

Expanding the Spatiotemporal Range of Soil Moisture Analysis Utilizing NASA Earth Observations and In Situ Measurements

Drought can cause immense agricultural and ecological damage resulting in high mitigation and compensation costs. Climate variability in future decades is expected to cause severe drought conditions and threaten necessary water resources. Stakeholders seek to implement effective drought assessments in preparation for potential economic and environmental damage invoked by drought. Although in-situ measurements are accurate, the current infrastructure is spatially limited and costly to maintain. A framework was created to compare modeled, satellite and in-situ data in drought monitoring. Here we show that the comparison of in-situ and remotely sensed soil moisture (SM) measurements can increase the spatiotemporal range of SM assessments. Data collected between 2003 and 2021 by NASA’s SPoRT Land Information System (SPoRT-LIS) and Soil Moisture Active Passive (SMAP) mission were standardized and compared with in-situ data provided through the Illinois Climate Network (WARM). Statistical analysis results including the Pearson correlation coefficient (r), root mean squared error, mean absolute error and others were calculated to compare the WARM measurements to the SMAP and SPoRT-LIS products. Results indicate that both satellite products demonstrate seasonally variable bias that is not present in the in-situ measurements. Bias was highest in the winter months and lowest in the late summer and early fall months in both satellite datasets. Overall, WARM-SPoRT comparisons resulted in lower seasonal variability. However, on average, the SMAP comparison demonstrated higher correlation values and lower error values. The WARM-SMAP average correlation (r) was 0.61 compared to the WARM-SPoRT average correlation (r) value of 0.54. Average mean absolute error values calculated for the SMAP and SPoRT comparisons were 0.07 and 0.08 percent soil moisture by volume, respectively. These analyses suggest integrating in-situ measurements and those provided by NASA Earth observations can be utilized in a multi-faceted SM evaluation, a valuable contribution to drought monitoring and water resource decision making.

Emma P Myrick↗
NASA NTRS2002

Ground Operations of the ISS GNC Babb-Mueller Atmospheric Density Model

The ISS GNC system was updated recently with a new software release that provides onboard state determination capability. Prior to this release, only the Russian segment maintained and propagated the onboard state, which was periodically updated through Russian ground tracking. The new software gives the US segment the capability for maintaining the onboard state, and includes new GPS and state vector propagation capabilities. Part of this software package is an atmospheric density model based on the Babb-Mueller algorithm. Babb-Mueller efficiently mimics a full analytical density model, such as the Jacchia model. While lacchia is very robust and is used in the Mission Control Center, it is too computationally intensive for use onboard. Thus, Babb-Mueller was chosen as an alternative. The onboard model depends on a set of calibration coefficients that produce a curve fit to the lacchia model. The ISS GNC system only maintains one set of coefficients onboard, so a new set must be uplinked by controllers when the atmospheric conditions change. The onboard density model provides a real-time density value, which is used to calculate the drag experienced by the ISS. This drag value is then incorporated into the onboard propagation of the state vector. The propagation of the state vector, and therefore operation of the BabbMueller algorithm, will be most critical when GPS updates and secondary state vector sources fail. When GPS is active, the onboard state vector will be updated every ten seconds, so the propagation error is irrelevant. When GPS is inactive, the state vector must be updated at least every 24 hours, based on current protocol. Therefore, the Babb-Mueller coefficients must be accurate enough to fulfill the state vector accuracy requirements for at least one day. A ground operations concept was needed in order to manage both the on board Babb-Mueller density model and the onboard state quality. The Babb-Mueller coefficients can be determined operationally in two ways. The first method is to calibrate the coefficients in real-time, where a set of custom coefficients is generated for the real-time atmospheric conditions. The second approach is to generate pre-canned sets of coefficients that encompass the expected atmospheric conditions over the lifetime of the vehicle. These predetermined sets are known as occurrences. Even though a particular occurrence will not match the true atmospheric conditions, the error will be constrained by limiting the breadth of each occurrence. Both methods were investigated and the advantages and disadvantages of each were considered. The choice between these implementations was a trade-off between the additional accuracy of the real-time calibration and the simpler development for the approach using occurrences. The operations concept for the frequency of updates was also explored, and depends on the deviation in solar flux that still achieves the necessary accuracy of the coefficients. This was determined based on historical solar flux trends. This analysis resulted in an accurate and reliable implementation of the Babb-Mueller coefficients and how flight controllers use them during realtime operations.

Brogan, Jonathan↗
NASA NTRS2019

Diagnosing Bias in Modeled Soil Moisture/runoff Coefficient Correlation Using the SMAP Level 4 Soil Moisture Product

The physical parameterization of key processes in land surface models (LSMs) remains uncertain, and new techniques are required to evaluate LSM accuracy over coarse spatial scales. Given the role of soil moisture in the partitioning of surface water fluxes (between infiltration, runoff and evapotranspiration), surface soil moisture (SSM) estimates represent an important observational benchmark for such evaluations. Here, we apply SSM estimates from the NASA Soil Moisture Active Passive Level 4 product (SMAP_L4) to diagnose bias in the coupling between SSM and surface runoff for multiple Noah-Multiple Physics (Noah-MP) LSM parameterization cases. Results demonstrate that Noah-MP surface runoff parameterizations often underestimate the coupling strength between pre-storm SSM and the event-scale runoff coefficient (RC; defined as the ratio between event-scale streamflow and precipitation volumes). This bias squanders RC information contained in pre-storm SSM and reduces RC estimation skill. Such bias can be quantified against an observational benchmark calculated using streamflow observations and SMAP_L4 SSM and applied to explain a substantial fraction of the observed basin-to-basin (and case-to-case) variability in the skill of event-scale Noah-MP RC estimates. Based on this concept, a novel case selection strategy for ungauged basins is introduced and demonstrated to successfully identify poorly performing Noah-MP parameterization cases.

SSM↗
NASA NTRS2002

Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

Dateo, Christopher E.↗
NASA NTRS2015

A Metric to Quantify Shared Visual Attention in Two-Person Teams

Introduction: Critical tasks in high-risk environments are often performed by teams, the members of which must work together efficiently. In some situations, the team members may have to work together to solve a particular problem, while in others it may be better for them to divide the work into separate tasks that can be completed in parallel. We hypothesize that these two team strategies can be differentiated on the basis of shared visual attention, measured by gaze tracking. 2) Methods: Gaze recordings were obtained for two-person flight crews flying a high-fidelity simulator (Gontar, Hoermann, 2014). Gaze was categorized with respect to 12 areas of interest (AOIs). We used these data to construct time series of 12 dimensional vectors, with each vector component representing one of the AOIs. At each time step, each vector component was set to 0, except for the one corresponding to the currently fixated AOI, which was set to 1. This time series could then be averaged in time, with the averaging window time (t) as a variable parameter. For example, when we average with a t of one minute, each vector component represents the proportion of time that the corresponding AOI was fixated within the corresponding one minute interval. We then computed the Pearson product-moment correlation coefficient between the gaze proportion vectors for each of the two crew members, at each point in time, resulting in a signal representing the time-varying correlation between gaze behaviors. We determined criteria for concluding correlated gaze behavior using two methods: first, a permutation test was applied to the subjects' data. When one crew member's gaze proportion vector is correlated with a random time sample from the other crewmember's data, a distribution of correlation values is obtained that differs markedly from the distribution obtained from temporally aligned samples. In addition to validating that the gaze tracker was functioning reasonably well, this also allows us to compute probabilities of coordinated behavior for each value of the correlation. As an alternative, we also tabulated distributions of correlation coefficients for synthetic data sets, in which the behavior was modeled as a first-order Markov process, and compared correlation distributions for identical processes with those for disparate processes, allowing us to choose criteria and estimate error rates. 3) Discussion: Our method of gaze correlation is able to measure shared visual attention, and can distinguish between activities involving different instruments. We plan to analyze whether pilots strategies of sharing visual attention can predict performance. Possible measurements of performance include expert ratings from instructors, fuel consumption, total task time, and failure rate. While developed for two-person crews, our approach can be applied to larger groups, using intra-class correlation coefficients instead of the Pearson product-moment correlation.

Gontar, Patrick↗
DOE OSTI2021

A Ranked-Orbital Approach to Select Active Spaces for High-Throughput Multireference Computation

The past decade has seen a great increase in the application of high-throughput computation to a variety of important problems in chemistry. However, one area which has been resistant to the high-throughput approach is multireference wave function methods, in large part due to the technicalities of setting up these calculations and in particular the not always intuitive challenge of active space selection. As we look toward a future of applying high-throughput computation to all areas of chemistry, it is important to prepare these methods for large-scale automation. Here, we propose a ranked-orbital approach to select active spaces with the goal of standardizing multireference methods for high-throughput computation. This method allows for the meaningful comparison of different active space selection schemes and orbital localizations, and we demonstrate the utility of this approach across 1120 multireference calculations for the excitation energies of small molecules. Our results reveal that it is helpful to distinguish the method used to generate orbitals from the method of ranking orbitals in terms of importance for the active space. Additionally, we propose our own orbital ranking scheme that estimates the importance of an orbital for the active space through a pair-interaction framework from orbital energies and features of the Hartree–Fock exchange matrix. Here, we call this new scheme the “approximate pair coefficient” (APC) method and we show that it performs quite well for the test systems presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Strain dependence of Auger recombination in 3 μm GaInAsSb/GaSb type-I active regions

We differentiate the effect of strain induced by lattice-mismatched growth from strain induced by mechanical deformation on cubic nonradiative Auger recombination in narrow-gap GaInAsSb/GaSb quantum well (QW) heterostructures. The typical reduction in the Auger coefficient observed with lattice-mismatched growth appears to be due to the concomitant compositional change rather than the addition of strain, with implications for mid-IR semiconductor laser design. We induced a range of internal compressive strain in five samples from -0.90% to -2.07% by varying the composition during the growth and mechanically induced a similar range of internal strain in analogous quantum well membrane samples. We performed time-resolved photoluminescence and differential reflectivity measurements to extract the carrier recombination dynamics, taken at 300 K with carrier densities from 2.7 × 10 18 cm -3 to 1.4 × 10 19 cm -3 . We observed no change with strain in the cubic Auger coefficient of samples that were strained mechanically, but we did observe a trend with strain in samples that were strained by the QW alloy composition. Measured Auger coefficients ranged from 3.0 × 1 0 - 29 cm 6 s -1 to 3.0 × 1 0 - 28 cm 6 s -1 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reaction mechanism for atmospheric pressure plasma treatment of cysteine in solution

Mechanisms for the cold atmospheric plasma (CAP) treatment of cells in solution are needed for more optimum design of plasma devices for wound healing, cancer treatment, and bacterial inactivation. However, the complexity of organic molecules on cell membranes makes understanding mechanisms that result in modifications (i.e. oxidation) of such compounds difficult. As a surrogate to these systems, a reaction mechanism for the oxidation of cysteine in CAP activated water was developed and implemented in a 0-dimensional (plug-flow) global plasma chemistry model with the capability of addressing plasma-liquid interactions. Reaction rate coefficients for organic reactions in water were estimated based on available data in the literature or by analogy to gas-phase reactions. The mechanism was validated by comparison to experimental mass-spectrometry data for COST-jets sustained in He/O 2 , He/H 2 O and He/N 2 /O 2 mixtures treating cysteine in water. Results from the model were used to determine the consequences of changing COST-jet operating parameters, such as distance from the substrate and inlet gas composition, on cysteine oxidation product formation. Results indicate that operating parameters can be adjusted to select for desired cysteine oxidation products, including nitrosylated products.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1979

A method for obtaining practical flutter-suppression control laws using results of optimal control theory

The results of optimal control theory are used to synthesize a feedback filter. The feedback filter is used to force the output of the filtered frequency response to match that of a desired optimal frequency response over a finite frequency range. This matching is accomplished by employing a nonlinear programing algorithm to search for the coefficients of the feedback filter that minimize the error between the optimal frequency response and the filtered frequency response. The method is applied to the synthesis of an active flutter-suppression control law for an aeroelastic wind-tunnel model. It is shown that the resulting control law suppresses flutter over a wide range of subsonic Mach numbers. This is a promising method for synthesizing practical control laws using the results of optimal control theory.

Newson, J. R.↗