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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 307 records · Page 17

Dynamic modeling of gene expression data

We describe the time evolution of gene expression levels by using a time translational matrix to predict future expression levels of genes based on their expression levels at some initial time. We deduce the time translational matrix for previously published DNA microarray gene expression data sets by modeling them within a linear framework by using the characteristic modes obtained by singular value decomposition. The resulting time translation matrix provides a measure of the relationships among the modes and governs their time evolution. We show that a truncated matrix linking just a few modes is a good approximation of the full time translation matrix. This finding suggests that the number of essential connections among the genes is small.

NASA Discipline Plant Biology↗

Constraints on Cosmic Strings Using Data from the Third Advanced LIGO-Virgo Observing Run

We search for gravitational-wave signals produced by cosmic strings in the Advanced LIGO and Virgo full O3 dataset. Search results are presented for gravitational waves produced by cosmic string loop features such as cusps, kinks, and, for the first time, kink-kink collisions. A template-based search for short-duration transient signals does not yield a detection. We also use the stochastic gravitational-wave background energy density upper limits derived from the O3 data to constrain the cosmic string tension Gμ as a function of the number of kinks, or the number of cusps, for two cosmic string loop distribution models. Additionally, we develop and test a third model that interpolates between these two models. Our results improve upon the previous LIGO–Virgo constraints on Gμ by 1 to 2 orders of magnitude depending on the model that is tested. In particular, for the one-loop distribution model, we set the most competitive constraints to date: Gμ ≲ 4×10−15. In the case of cosmic strings formed at the end of inflation in the context of grand unified theories, these results challenge simple inflationary models.

J B Camp↗

Machine learning models of intermittent operation of RO wellhead water treatment for salinity reduction and nitrate removal

Machine learning models were developed for intermittent multi-mode operation of a wellhead reverse osmosis water purification and desalination system to predict salt passage, nitrate passage, and permeate flux. The models, based on long short-term memory (LSTM) recurrent neural network (RNN) architecture, included an attention mechanism to increase model performance in proximity of the regulatory limit for nitrate. Training and testing of the models for the Startup, Production, Shutdown and Flushing operational modes were based on operational data (consisting of 22 process variables per data sample) acquired every 2–5 s over a six-month period. The significant sets of model input attributes for the different operational modes were assessed via Spearman ranking correlation, Self-Organizing Map (SOM) analysis and feed forward feature selection (FFFS). Although the variability of nitrate passage, salt passage and permeate flux was significant over the four operational modes, prediction performance for the three outcomes were with R2 and Average Absolute Relative Error (AARE) of 0.78–0.95 and 2.96–6.16 %, respectively. Model updates post membrane elements replacement demonstrated similar levels of prediction accuracy. The study results suggest that there is merit in exploring the utility of multi-mode models for sensor fault detection, data imputation, and for potential use in model-predictive control.

Intermittent RO operation↗

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Two drop tests of partial Hawker 4000 fuselage sections were conducted at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) to characterize the response of representative composite aerospace structure to dynamic impact loads. Test conditions were selected to induce damage into the composite structure in order to study material failure within a composite fuselage and evaluate the capability of finite element (FE) model analysis to predict that failure. The tests were simulated using FE models which were generated to isolate the effect of developmental data availability on predictive capability. FE Models of the tested fuselage sections were generated using two limited data sets. The first model configuration was reverse engineered from the test article with no information related to design or fabrication details which would be known only by the manufacturer. The second model was generated from data provided by the manufacturer but without additional material characterization test data. Models were developed using these methodologies for both fuselage sections tested. Correlation of each model to the tests conducted was evaluated in terms of damage, deformation, and cabin acceleration measurements. Correlation between the developed models and the tested fuselage sections showed that the reverse engineered model predicted the composite damage and cabin acceleration measured during test though it was limited due to lack of detail in the composite layup changes through the structure. The model developed using manufacturer specifications did not predict damage, due to limited material and component model characterization data, but it did predict acceleration on par with the reverse engineered model. Model capability and limitation sources identified were verified through correlation of a final model which was developed by combining the individual data sets. The combined model demonstrated that the addition of calibrated composite material models to accurate composite layup definitions and detailed geometry led to improved correlation of damage and acceleration response within the composite fuselage structures.

Crashworthiness↗

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Two drop tests of partial Hawker 4000 fuselage sections were conducted at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) to characterize the response of representative composite aerospace structure to dynamic impact loads. Test conditions were selected to induce damage into the composite structure in order to study material failure within a composite fuselage and evaluate the capability of finite element (FE) model analysis to predict that failure. The tests were simulated using FE models which were generated to isolate the effect of developmental data availability on predictive capability. FE Models of the tested fuselage sections were generated using two limited data sets. The first model configuration was reverse engineered from the test article with no information related to design or fabrication details which would be known only by the manufacturer. The second model was generated from data provided by the manufacturer but without additional material characterization test data. Models were developed using these methodologies for both fuselage sections tested. Correlation of each model to the tests conducted was evaluated in terms of damage, deformation, and cabin acceleration measurements. Correlation between the developed models and the tested fuselage sections showed that the reverse engineered model predicted the composite damage and cabin acceleration measured during test though it was limited due to lack of detail in the composite layup changes through the structure. The model developed using manufacturer specifications did not predict damage, due to limited material and component model characterization data, but it did predict acceleration on par with the reverse engineered model. Model capability and limitation sources identified were verified through correlation of a final model which was developed by combining the individual data sets. The combined model demonstrated that the addition of calibrated composite material models to accurate composite layup definitions and detailed geometry led to improved correlation of damage and acceleration response within the composite fuselage structures.

Crashworthiness↗

Enhancing the accuracy and generality of the Debye–Grüneisen Model: Optimizing the volume dependence for accurate predictions across varied compositions

In this work, we have introduced an optimized Debye-Grüneisen model that revolutionizes the determination of the Debye temperature and Grüneisen parameters. Unlike conventional methods, our model requires only the 0 K energy volume data for a material as input, eliminating the need to determine the bulk modulus and its pressure derivative, which often pose challenges due to numerical uncertainties. This unique feature sets our model apart from existing approaches and streamlines the process, enabling accurate predictions of thermal expansion behavior across various materials. To demonstrate its effectiveness, we showcase its excellent agreement with measured coefficients of thermal expansion (CTE) for the nickel-cobalt-chromium-aluminum-yttrium (Ni-Co-Cr-Al-Y) bond-coating system. Additionally, we apply our approach by conducting a high-throughput search for potential bond-coating materials among 90,000 compositions within the aluminum-cobalt-chromium-iron-nickel (Al-Co-Cr-Fe-Ni) system. From this extensive search, four compositions are synthesized, and the measured CTE values agree very well with theoretical predictions, hence validating our approach. In conclusion, the current optimized Debye-Grüneisen model combined with Density Functional Theory (DFT)-based thermodynamic database enables reliable and efficient high-throughput calculations of CTE of of a material without expensive phonon calculations.

Bond coating materials↗

Galactic Chemical Evolution of Short-lived Radioactive Isotopes Produced by Explosive Nucleosynthesis: 60 Fe and 53 Mn

Several short-lived radionuclides (SLRs) are know to have existed in the early solar system (ESS). These species, which typically decay with half-lives of the order of a few million years, can be used to probe the timescales of events preceding the birth of the Sun. We investigate the ESS origin of 53 Mn, produced by core-collapse supernovae (CCSNe) and Type Ia supernovae (SNe Ia), and 60 Fe, produced exclusively by CCSNe. We model the evolution of the radioactive-to-stable abundance ratios of these SLRs with a Galactic chemical evolution (GCE) framework accounting for different SN yields, SN Ia delay times, and other Galactic features (K). A further set of models is calculated assuming that SNe Ia did not contribute any 53 Mn to the ESS. The predicted ratios are compared to meteoritic ratios to derive a distribution of solar isolation times that includes uncertainties due to stochastic chemical enrichment and measurements of the ESS values. The isolation times are then compared to those of 107 Pd and 182 Hf calculated in previous work. A self-consistent solution can be found within the current uncertainties, especially when using the GCE setups with K = 1.6 and 2.3, although the maximum likelihood for the 60 Fe distribution is typically ∼4–5 Myr shorter than for 53 Mn. The predicted 60 Fe/ 53 Mn ratio, instead, is completely inconsistent with the ESS value; this could be resolved using a larger fraction of faint CCSNe than usually considered in GCE models.

79 ASTRONOMY AND ASTROPHYSICS↗

Solution accuracies of finite element reentry heat transfer and thermal stress analyses of Space Shuttle Orbiter

Accuracies of solutions (structural temperatures and thermal stresses) obtained from different thermal and structural FEMs set up for the Space Shuttle Orbiter (SSO) are compared and discussed. For studying the effect of element size on the solution accuracies of heat-transfer and thermal-stress analyses of the SSO, five SPAR thermal models and five NASTRAN structural models were set up for wing midspan bay 3. The structural temperature distribution over the wing skin (lower and upper) surface of one bay was dome shaped and induced more severe thermal stresses in the chordwise direction than in the spanwise direction. The induced thermal stresses were extremely sensitive to slight variation in structural temperature distributions. Both internal convention and internal radiation were found to have equal effects on the SSO.

Ko, William L.↗

Direct simulation of rarefied hypersonic flows

As the capability of the space transportation vehicles (STV's) expand to meet the requirements for future space exploration and utilization, the effects of rarefied hypersonic flows will play a more significant role in defining the aerodynamic and aerothermodynamic performance of STV's. This is particularly true of the low lift/drag aeroassisted STV's where aerobraking occurs at relatively high altitudes and high velocity. Because of the limitations of the continuum description as expressed by the Navier-Stokes equations and the difficulties of solving the Boltzmann equation, the particle of molecular approach has been developed over the last three decades for modeling rarefied gas effects. The direct simulation Monte Carlo (DSMC) method of Bird is the most used method today for simulating rarefied flows. The DSMC method provides a direct physical simulation as opposed to a numerical solution of a set of model equations. This is accomplished by developing phenomenological models of the relevant physical events. The DSMC method accounts for translational, thermal, chemical, and radiative nonequilibrium effects. The general features of the DSMC method, the numerical requirements for obtaining meaningful results, the modeling used to simulate high temperature gas effects, and applications of the method to calculate the flow about an aeroassist flight experiment vehicle (AFE) are reviewed. The AFE simulates a geosynchronous return while entering the Earth's upper atmosphere at approximately 10 km/s. Results obtained using a general 3-D code are presented for the more rarefied portion of the atmospheric encounter (altitudes of 200 to 100 km) emphasizing surface, flowfield, and aerodynamic characteristics of the AFE. Finally, results obtained using axisymmetric and 1-D versions of the code are presented for lower altitude conditions.

Moss, James N.↗

The Distribution of Snow Black Carbon observed in the Arctic and Compared to the GISS-PUCCINI Model

In this study, we evaluate the ability of the latest NASA GISS composition-climate model, GISS-E2- PUCCINI, to simulate the spatial distribution of snow BC (sBC) in the Arctic relative to present-day observations. Radiative forcing due to BC deposition onto Arctic snow and sea ice is also estimated. Two sets of model simulations are analyzed, where meteorology is linearly relaxed towards National Centers for Environmental Prediction (NCEP) and towards NASA Modern Era Reanalysis for Research and Applications (MERRA) reanalyses. Results indicate that the modeled concentrations of sBC are comparable with presentday observations in and around the Arctic Ocean, except for apparent underestimation at a few sites in the Russian Arctic. That said, the model has some biases in its simulated spatial distribution of BC deposition to the Arctic. The simulations from the two model runs are roughly equal, indicating that discrepancies between model and observations come from other sources. Underestimation of biomass burning emissions in Northern Eurasia may be the main cause of the low biases in the Russian Arctic. Comparisons of modeled aerosol BC (aBC) with long-term surface observations at Barrow, Alert, Zeppelin and Nord stations show significant underestimation in winter and spring concentrations in the Arctic (most significant in Alaska), although the simulated seasonality of aBC has been greatly improved relative to earlier model versions. This is consistent with simulated biases in vertical profiles of aBC, with underestimation in the lower and middle troposphere but overestimation in the upper troposphere and lower stratosphere, suggesting that the wet removal processes in the current model may be too weak or that vertical transport is too rapid, although the simulated BC lifetime seems reasonable. The combination of observations and modeling provides a comprehensive distribution of sBC over the Arctic. On the basis of this distribution, we estimate the decrease in snow and sea ice albedo and the resulting radiative forcing. We suggest that the albedo reduction due to BC deposition presents significant space-time variations, with highest mean reductions of 1.25% in the Russian Arctic, which are much larger than those in other Arctic regions (0.39% to 0.64 %). The averaged value over the Arctic north of 66degN is 0.4-0.6% during spring, leading to regional surface radiative forcings of 0.7, 1.1 and 1.0Wm(exp−2) in spring 2007, 2008 and 2009, respectively.

Dou, T.↗

Enhancing the accuracy of XPS calculations: Exploring hybrid basis set schemes for CVS-EOMIP-CCSD calculations

Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between numerical accuracy and computational cost due to the size of the basis set is a major challenge, since molecular orbitals undergo extreme relaxation in the core-hole state. To gain clarity on the changes in electronic structure induced by the formation of a core-hole, the use of sufficiently flexible basis for expanding the orbitals, particularly for the core region, has been shown to be essential. This work focuses on the refinement of core-hole ionized state calculations using the equation-of-motion coupled cluster family of methods through an extensive analysis on the effectiveness of “hybrid” and mixed basis sets. In this investigation, we utilize the CVS-EOMIP-CCSD method in combination and construct hybrid basis sets piecewise from readily available Dunning’s correlation consistent basis sets in order to calculate x-ray ionization energies (IEs) for a set of small gas phase molecules. Our results provide insights into the impact of basis sets on the CVS-EOMIP-CCSD calculations of K-edge IEs of first-row p-block elements. Furthermore, these insights enable us to understand more about the basis set dependence of the core IEs computed and allow us to establish a protocol for deriving reliable and cost-effective theoretical estimates for computing IEs of small molecules containing such elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimation of Longitudinal Unsteady Aerodynamics of a Wing-Tail Combination From Wind Tunnel Data

This paper presents an initial step toward model identification from wind tunnel data for an airliner configuration. Two approaches to modeling a transport configuration are considered and applied to both steady and large-amplitude forced-oscillation wind tunnel data taken over a wide range of angles of attack. Only limited conclusions could be drawn from this initial data set. Although model estimated time histories of normal force and pitching moment agree reasonably well with the corresponding measured values, model damping parameters did not, for some cases, have values consistent with small amplitude oscillatory data. In addition, large parameter standard errors implied poor information content for model structure determination and parameter estimation. Further investigation of the modeling problem for more general aerodynamic models is recommended with close attention to experiment design for obtaining parameters with high accuracy.

Murphy, Patrick C.↗

Modeling Distributed Generation in California

In support of analysis for the biennial Integrated Energy Policy Report, the California Energy Commission and the National Renewable Energy Laboratory have partnered to study the growth of distributed energy resources in California. This study involves the use of National Renewable Energy Laboratory's Distributed Generation Market Demand model, available at https://www.nrel.gov/analysis/dgen/, to project statewide adoption of distributed photovoltaics and paired storage. Key outcomes of the collaboration include: • Improved representation of California building stock, load profiles, historical adoption, and tariffs, including the net billing tariff, in the dGen model; • Trained CEC staff members to use and adapt the dGen model for their specific needs; • Developed a methodology for representing emerging consumer segments to potentially adopt distributed energy resources, including low-income, multifamily, and renter-occupied buildings; • Forecasted solar photovoltaic and paired storage growth in California using a common set of modeling parameters. This report describes the multiyear effort, which includes a discussion of: • Methodology and data employed in adapting the Distributed Generation Market Demand model for California to forecast solar photovoltaic and storage statewide through 2040; • Steps taken to modify the base model to forecast solar photovoltaic adoption in emerging market segments such as multifamily or renter-occupied homes or both; • Future enhancements of the model.

14 SOLAR ENERGY↗

Validation of Mars-GRAM and Planned New Features

For altitudes below 80 km, Mars Global Reference Atmospheric Model (Mars-GRAM 2001) is based on output climatology from NASA Ames Mars General Circulation Model (MGCM). At COSPAR 2002, results were presented of validation tests of Mars-GRAM versus data from Mars Global Surveyor Thermal Emission Spectrometer (TES) and Radio Science (RS) experiment. Further validation tests are presented comparing Mars- GRAM densities with those from the European Mars Climate Database (MCD), and comparing densities from both Mars-GRAM and MCD against TES observations. Throughout most of the height and latitude range of TES data (040 km and 70s to 70N), good agreement is found between atmospheric densities from Mars-GRAM and MCD. However, at the season and latitude zone for Mars Phoenix arrival and landing (Ls = 65 to 80 degrees and latitude 65 to 75N), Mars-GRAM densities are about 30 to 45 percent higher than MCD densities near 40 km altitude. Further evaluation is warranted concerning potential impact of these model differences on planning for Phoenix entry and descent. Three planned features for Mars-GRAM update are also discussed: (1) new MGCM and Thermospheric General Circulation Model data sets to be used as a revised basis for Mars-GRAM mean atmosphere, (2) a new feature to represent planetary-scale traveling waves for upper altitude density variations (such as found during Mars Odyssey aerobraking), and (3) a new model for effects of high resolution topographic slope on winds near the surface (0 to 4.5 km above MOLA topography level). Mars-GRAM slope winds will be computed from a diagnostic (algebraic) relationship based on Ye, Segal, and Pielke (1990). This approach differs from mesoscale models (such as MRAMS and Mars MM5), which use prognostic, full-physics solutions of the time- and space-dependent differential equations of motion. As such, slope winds in Mars-GRAM will be consistent with its "engineering-level" approach, and will be extremely fast and easy to evaluate, compared with mesoscale model solutions. Mars-GRAM slope winds are not being suggested as a replacement for sophisticated, full-physics Mars mesoscale models, but may have value, particularly for preliminary screening of large numbers of candidate landing sites for future Mars missions, such as Phoenix and Mars Science Laboratory. Test output is presented from Mars-GRAM slope winds in the area of Gusev Crater and Valles Marineris.

Justus, C. G.↗

Assessing Air-Sea Interaction in the Evolving NASA GEOS Model

In order to understand how the climate responds to variations in forcing, one necessary component is to understand the full distribution of variability of exchanges of heat and moisture between the atmosphere and ocean. Surface heat and moisture fluxes are critical to the generation and decay of many coupled air-sea phenomena. These mechanisms operate across a number of scales and contain contributions from interactions between the anomalous (i.e. non-mean), often extreme-valued, flux components. Satellite-derived estimates of the surface turbulent and radiative heat fluxes provide an opportunity to assess results from modeling systems. Evaluation of only time mean and variability statistics, however only provides limited traceability to processes controlling what are often regime-dependent errors. This work will present an approach to evaluate the representation of the turbulent fluxes at the air-sea interface in the current and evolving Goddard Earth Observing System (GEOS) model. A temperature and moisture vertical profile-based clustering technique is used to identify robust weather regimes, and subsequently intercompare the turbulent fluxes and near-surface parameters within these regimes in both satellite estimates and GEOS-driven data sets. Both model reanalysis (MERRA) and seasonal-to-interannual coupled GEOS model simulations will be evaluated. Particular emphasis is placed on understanding the distribution of the fluxes including extremes, and the representation of near-surface forcing variables directly related to their estimation. Results from these analyses will help identify the existence and source of regime-dependent biases in the GEOS model ocean surface turbulent fluxes. The use of the temperature and moisture profiles for weather-state clustering will be highlighted for its potential broad application to 3-D output typical of model simulations.

Clayson, Carol Anne↗

The Melting Behavior of Hydrogen Direct Reduced Iron in Molten Steel and Slag: An Integrated Computational and Experimental Study

Direct reduced iron (DRI) and hot briquetted iron (HBI) are essential feedstocks for tramp element control in the electric arc furnace (EAF). Due to greenhouse gas (GHG) concerns related to CO2 emissions, hydrogen as a substitute for natural gas and a reductant in DRI production is being widely explored to reduce GHG emissions in ironmaking. This study examines the melting behavior of hydrogen DRI (H-DRI) pellets in the EAF containing low-carbon (0.1 wt.%) molten steel and molten slag. A computational heat transfer model was developed to predict the melting behavior of H-DRI pellets. To validate the model, a set of experimental laboratory simulations was conducted by immersing H-DRI in a molten steel bath and slag. The temperature history at the center of the pellet during melting and the shell thickness at different melting stages were utilized to validate the model. The simulation results agree with the experimental measurements of steel balls and H-DRI in different metallic molten steel and slag baths.

Materials Science↗

LASSO for CALPHAD Model Selection Enables Data-Efficient Thermodynamic Modeling: An Application in Thermochemical Hydrogen Production Materials

Phenomenological CALPHAD (CALculation of PHAse Diagrams) models, widely used for multicomponent materials, often contain a considerable number of parameters and require fitting using data from a relatively small number of experimental measurements or theoretical calculations. Sometimes these parameters are introduced for the purpose of improving model fits but without clear physical justification, which leads to overparametrized models with poor generalization performance. Automated approaches for optimal model selection based on the available data therefore become critical. Here, in this work, a least absolute shrinkage and selection operator (LASSO)-based approach is developed for model selection by leveraging the linearity of the CALPHAD model with respect to its parameters to convert the model selection and fitting to a LASSO minimization problem. We demonstrate its utility for thermodynamic modeling of thermochemical hydrogen (TCH) production materials using lanthanum strontium manganite (LSM) as an example. Various TCH-relevant properties, including oxygen stoichiometry as a function of oxygen partial pressure, enthalpy of reduction, and entropy of reduction, are successfully predicted with reasonable accuracy using a minimal set of model parameters. Importantly, the model selection and fitting involve minimal human decision; it can therefore be applied to high-throughput DFT defect calculations and yield efficient workflows for TCH material modeling and optimization.

CALPHAD↗

Rendering Three-Dimensional Solar Coronal Structures

An X-ray or EUV image of the corona or chromosphere is a 2D representation of an extended 3D complex for which a general inversion process is impossible. A specific model must be incorporated in order to understand the full 3D structure. We approach this problem by modeling a set of optically-thin 3D plasma flux tubes which we render these as synthetic images. The resulting images allow the interpretation of the X-ray/EUV observations to obtain information on (1) the 3D structure of X-ray images, i.e., the geometric structure of the flux tubes, and on (2) the internal structure using specific plasma characteristics, i.e., the physical structure of the flux tubes. The data-analysis technique uses magnetograms to characterize photospheric magnetic fields and extrapolation techniques to form the field lines. Using a new set of software tools, we have generated 3D flux tube structures around these field lines and integrated the plasma emission along the line of sight to obtain a rendered image. A set of individual flux-tube images is selected by a non-negative least-squares technique to Provide a match with an observed X-ray image. The scheme minimizes the squares of the differences between the synthesized image and the observed image with a non-negative constraint on the coefficients of the brightness of the individual flux-tube loops. The derived images are used to determine the specific photospheric foot points and physical data, i.e., scaling laws for densities and loop lengths. The development has led to Computer efficient integration and display software that is compatible for comparison with observations (e.g., Yohkoh SXT data, NIXT, or EIT). This analysis is important in determining directly the magnetic field configuration, which provides the structure of coronal loops, and indirectly the electric currents or waves, which provide the energy for the heating of the plasma. We have used very simple assumptions (i.e., potential magnetic fields and isothermal corona) to provide an initial test of the techniques before complex models are introduced. We have separated the physical and geometric contributions of the emission for a set of flux tubes and concentrated, in this initial study, on the geometric contributions by making approximations to the physical contributions. The initial results are consistent with the scaling laws derived from Yohkoh SXT data.

Gary, G. Allen↗