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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 1,045 records · Page 58
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NASA NTRS1925

Propeller scale effect and body interference

This note shows that the main part of the discrepancy between full flight propeller performance and the performance of models in a wind tunnel is due to a scale effect, and that a minor part is caused by body interference. Analyses are made of propeller performances on several standard airplanes, and the actual brake horsepower compared with the power as calculated from model test data. The calculated power is based on that absorbed by a wind tunnel propeller model which is geometrically similar to the full scale propeller and is operating under the same ratio of V/nD.

Weick, Fred E↗
NASA NTRS1999

Accuracy of the Independent Pixel Approximation at Absorbing Wavelengths

In order to correctly interpret shortwave cloud radiation measured by satellites and ground-based radiometers, or by two aircraft flying above and below clouds, we need to better understand interactions between inhomogeneous clouds and solar radiation. The discrepancies between shortwave absorption inferred from measurements and predicted by models, between cloud optical depths estimated from satellites and ground measurements, between single scattering albedo retrieved from in situ radiation measurements and computed from measured droplet size distribution, among others, are strongly affected by cloud horizontal inhomogeneity. Net horizontal photon transport (i. e., horizontal fluxes) are a direct consequence of the inhomoqeneity in cloud structure. Horizontal fluxes and their effect on the accuracy of the pixel-by-pixel one-dimensional (1 D) radiative transfer calculations has recently undergone close scrutiny for conservative scattering. However, the properties and magnitude of horizontal fluxes in absorbing wavelengths are still poorly understood. As far as we are aware, only Ackerman and Cox and Titov discussed correlations between horizontal fluxes at absorbing wavelengths, though these were far from comprehensive. This paper partly fills this gap. We discuss here of whether the accuracy of the Independent Pixel Approximation (IPA), a 1 D radiative transfer approximation for each pixel, is a better model for multiple scattering at conservative or at absorbing wavelengths. Issues addressed here are: (1) dependence of net horizontal fluxes on single scattering albedo; (2) connection between pixel-by-pixel accuracy of the IPA and horizontal fluxes and (3) radiative smoothing and horizontal fluxes at absorbing wavelengths. In contrast to the traditional understanding of IPA, we study IPA accuracies not only for reflectance but also for transmittance and absorptance at both conservative and absorbing wavelengths. In spite of the apparent similarity between the three processes, dependence of IPA accuracies on single-scattering albedo is completely different. As a result, cloud optical properties retrieved from high resolution satellite images and ground-based measurements using IPA at absorbing channels will have different accuracies.

Marchak, Alexander↗
NASA NTRS2001

Robust Combining of Disparate Classifiers Through Order Statistics

Integrating the outputs of multiple classifiers via combiners or meta-learners has led to substantial improvements in several difficult pattern recognition problems. In this article we investigate a family of combiners based on order statistics, for robust handling of situations where there are large discrepancies in performance of individual classifiers. Based on a mathematical modeling of how the decision boundaries are affected by order statistic combiners, we derive expressions for the reductions in error expected when simple output combination methods based on the the median, the maximum and in general, the ith order statistic, are used. Furthermore, we analyze the trim and spread combiners, both based on linear combinations of the ordered classifier outputs, and show that in the presence of uneven classifier performance, they often provide substantial gains over both linear and simple order statistics combiners. Experimental results on both real world data and standard public domain data sets corroborate these findings.

Tumer, Kagan↗
NASA NTRS2009

SWCX Emission from the Helium Focusing Cone - Model to Data Comparison

A model for heliospheric solar wind charge exchange (SWCX) X-ray emission is applied to a series of XMM-Newton observations of the interplanetary focusing cone of interstellar helium. The X-ray data are from three coupled observations of the South Ecliptic Pole (SEP, to observe the cone) and the Hubble Deep Field-North (HDFN. to monitor global variations of the SWCX emission due to variations in the solar wind) from the period 24 November to 15 December 2003. There is good qualitative agreement between the model predictions and thc data with the maximum SWCX flux observed at an ecliptic longitude of approx. 72deg, consistent with the central longitude of the He cone. We observe a total excess of 2.1 +/- 1.3 LU in the O VII line and 2.0 +/- 0.9 LU in the 0 VIII line. However. the SWCX emission model, which was adjusted for solar wind conditions appropriate for late 2003, predicts an excess from the He cone of only 0.5 LU and 0.2 LU, respectively, in the O VII and O VIII lines. We discuss thc model to data comparison and provide possible explanations for the discrepancies. We also qualitatively reexamine our SWCX n~ocicl predictions in the 1/4 keV band with data from the ROSAT All-Sky Survey towards the North and South Ecliptic Poles, when the He cone was probably first detected in soft X-rays.

Koutroumpa, D.↗
NASA NTRS2011

A Combined Subaru/VLT/MMT 1-5 Micrometer Study of Planets Orbiting HR 8799: Implications For Atmospheric Properties, Masses and Formation

We present new 1-1.25 micron (z and J band) Subaru/IRCS and 2 micron (K band) VLT/NaCo data for HR 8799 and a rereduction of the 3-5 micron MMT/Clio data first presented by Hinz et al. Our VLT/NaCo data yield a detection of a fourth planet at a projected separation of approximately 15 AU--"HR 8799e ." We also report new, albeit weak detections of HR 8799b at 1.03 micron and 3.3 micron. Empirical comparisons to field brown dwarfs show that at least HR 8799b and HR 8799c, and possibly HR 8799d, have near-to-mid-IR colors/ magnitudes significantly discrepant from the L/T dwarf sequence. Standard cloud deck atmosphere models appropriate for brown dwarfs provide only (marginally) statistically meaningful fits to HR 8799b and c for unphysically small radii. Models with thicker cloud layers not present in brown dwarfs reproduce the planets' spectral energy distributions far more accurately and without the need for resealing the planets' radii. Our preliminary modeling suggests that HR 8799b has log(g) = 4-4.5, T(sub eff) = 900 K. while HR 8799c, d, and (by inference) e have log(g) = 4-4.5, T(sub eff) = 1000-1200 K. Combining results from planet evolution models and new dynamical stability limits implies that the masses of HR 8799b, c, d, and e are 6-7 M(sub j), 7-10 M(sub j), 7-10 M(sub j), and 7-10 M(sub j). "Patchy" cloud prescriptions may provide even better fits to the data and may lower the estimated surface gravities and masses. Finally, contrary to some recent claims, forming the HR 8799 planets by core accretion is still plausible, although such systems are likely rare.

Currie, Thayne↗
NASA NTRSDate not supplied

Method for Extracting Aerodynamic Coefficients and Winds On-the-Fly Using Real-Time GPS Data

The landing accuracy of an autonomous guided parafoil is influenced by its ability to predict the trajectory, which is shaped by the parafoil’s aerodynamic characteristics and atmospheric winds. The parafoil is subjective to imperfections from manufacturing, damage during deployment, lateral asymmetry, and so forth, leading to discrepancies between the actual aerodynamic properties and the onboard aerodynamic model. Thus, by acquiring an accurate knowledge of the aerodynamic properties and real-time winds, the onboard simulation can reduce the undertainties in the dynamics modeling for trajectory propagation to improve the landing accuracy. For that purpose, a non-linear least-squares method is developed to calculate differential corrections for optimizing and extracting the parafoil aerodynamic coefficients and winds on-the-fly using real-time data from the Global Positioning System (GPS). Post-flight analyses from two test flights have shown that the method provides improved simulations that closely match the GPS trajectories.

Lisa Ling↗
DOE OSTI2024

State-to-State Molecular Reactions in the Ultracold Regime (Final Scientific Report)

We have achieved the proposed goal to experimentally probe the AB + CD and AB + C types of reactions with state-to-state resolution, which we also compared to advanced theoretical calculations to help elucidate the role of quantum mechanics in the processes of bond breakage and formation. Our approach uses reactants that are prepared at ultracold temperatures (< 1µK) such that the quantum effects of translational motion are an important factor. Specific example reactions, including the potassium-rubidium metathesis reaction KRb + KRb → K 2 + Rb 2 as well as the atom exchange reaction Rb + KRb → Rb2 + K, are chosen because the technology of quantum internal and motional state control of these types of molecules is particularly advanced. The results for the entire funding period are fruitful. For the majority of this grant, we have constructed a one-of-the-kind quantum degenerate gas apparatus that integrates ion detection and velocity map imaging capabilities, allowing us to explore the KRb + KRb → K 2 + Rb 2 bimolecular reaction in detail. Specifically, we first verified such a reaction indeed proceed at ultracold temperatures by direct detection of reaction products. We then mapped out the complete product state distribution, which was compared to a state-counting model based on statistical theory. Our results show an overall agreement with the statistical state counting model, but also reveal several deviating state-pairs. An exact quantum calculation for molecule-molecule collisions, that is needed to understand these deviations, is however beyond the current state-of-the-art. Beside scrutinizing the reaction products, we also directly observe the reaction intermediate complex, which was quite a surprise to us. The intermediate complexes are long-lived and can interact with the inferred light that we use to trap the ultracold gas. After molecule-molecule collisions, we then explored the more theoretically tractable Rb + KRb reaction, which is endothermic. Surprisingly, we observed an exceedingly long-lived KRb$^*_2$ collisional complexes, with our experimentally measured complex lifetime deviating from conventional theoretical calculations by five orders of magnitude. This discrepancy has motivated many explorations of possible underlying causes, though no model yet captures this phenomenon completely. In the final year and the work that continues today, we extend upon these atom-molecule collision experiments to explore the origin of the long-lived KRb$^*_2$ complex lifetime and develop means to control the outcome of the reaction complex. The 5-year funded work advanced our understanding of chemical reactions at the lowest possible temperatures and at the same time opened up many new questions that are beyond our initial imaginations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multi-scale models of whole cells: progress and challenges

Whole-cell modeling is “the ultimate goal” of computational systems biology and “a grand challenge for 21st century”. These complex, highly detailed models account for the activity of every molecule in a cell and serve as comprehensive knowledgebases for the modeled system. Their scope and utility far surpass those of other systems models. In fact, whole-cell models (WCMs) are an amalgam of several types of “system” models. The models are simulated using a hybrid modeling method where the appropriate mathematical methods for each biological process are used to simulate their behavior. Given the complexity of the models, the process of developing and curating these models is labor-intensive and to date only a handful of these models have been developed. While whole-cell models provide valuable and novel biological insights, and to date have identified some novel biological phenomena, their most important contribution has been to highlight the discrepancy between available data and observations that are used for the parametrization and validation of complex biological models. Another realization has been that current whole-cell modeling simulators are slow and to run models that mimic more complex (e.g., multi-cellular) biosystems, those need to be executed in an accelerated fashion on high-performance computing platforms. In this manuscript, we review the progress of whole-cell modeling to date and discuss some of the ways that they can be improved.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Quantifying uncertainties due to irreducible three-body forces in deuteron-nucleus reactions

Deuteron-induced nuclear reactions are an essential tool for probing the structure of nuclei as well as astrophysical information such as (n, γ) cross sections. The deuteron-nucleus system is typically described within a Faddeev three-body model consisting of a neutron (n), a proton (p), and the target nucleus (A) interacting through pairwise phenomenological potentials. While Faddeev techniques enable the exact description of the three-body dynamics, their predictive power is limited in part by the omission of irreducible neutron-proton-nucleus three-body force (n–p–A 3BF). Here, our goal is to quantify systematic uncertainties stemming from the reduction of deuteron-nucleus (d + A) dynamics to a picture of three pointlike nuclear clusters interacting via pairwise nucleon-nucleus forces, using as testing grounds d + α scattering and the 6 Li ground state. We particularly focus on quantifying uncertainties arising from the full antisymmetrization of the (A + 2)-body system with the target nucleus fixed in its ground state. We adopt the ab initio no-core shell model coupled with the resonating group method (NCSM/RGM) to compute microscopic n–α and p–α interactions, and use them in a three-body description of the d + α system by means of momentum-space Faddeev-type equations. Simultaneously, we also carry out ab initio calculations of d + α scattering and 6 Li ground state by means of six-body NCSM/RGM calculations to serve as a benchmark for the three-body model predictions given by the Faddeev calculations. By comparing the Faddeev and NCSM/RGM results, we show that the irreducible n–p–α 3BF has a non-negligible effect on bound state and scattering observables alike. Specifically, the Faddeev approach yields a 6 Li ground state that is approximately 600 keV shallower than the one obtained with the NCSM/RGM. Additionally, the Faddeev calculations for d + α scattering yield a 3 + resonance that is located approximately 400 keV higher in energy compared to the NCSM/RGM result. The shape of the d + α angular distributions computed using the two approaches also differ, owing to the discrepancy in the predictions of the 3 + resonance energy. The Faddeev three-body model predictions for d + α scattering and 6 Li using microscopic n–α and p–α potentials differ from those computed microscopically with the NCSM/RGM. These discrepancies are due to the n–p–α 3BF, which arises from two-nucleon exchange terms in the microscopic d–α interaction and are not accounted for in the three-body model Faddeev calculations. This study lays the foundation for future parametrizations of the 3BF due to Pauli exclusion principle effects in improved three-body calculations of deuteron-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Role of water model on ion dissociation at ambient conditions

In this work, we study ion pair dissociation in water at ambient conditions using a combination of classical and ab initio approaches. The goal of this study is to disentangle the sources of discrepancy observed in computed potentials of mean force. In particular, we aim to understand why some models favor the stability of solvent-separated ion pairs vs contact ion pairs. We found that some observed differences can be explained by non-converged simulation parameters. However, we also unveil that for some models, small changes in the solution density can have significant effects on modifying the equilibrium balance between the two configurations. We conclude that the thermodynamic stability of contact and solvent-separated ion pairs is very sensitive to the dielectric properties of the underlying simulation model. In general, classical models are very robust in providing a similar estimation of the contact ion pair stability, while this is much more variable in density functional theory-based models. The barrier to transition from the solvent-separated to contact ion pair is fundamentally dependent on the balance between electrostatic potential energy and entropy. This reflects the importance of water intra- and inter-molecular polarizability in obtaining an accurate description of the screened ion–ion interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Scattering of high-velocity He and Ar beams by methane, silane, and germane

Fast He and Ar beams have been scattered by room-temperature CH4, SiH4, and GeH4 to obtain average atom-molecule potentials for He-CH4, He-SiH4, He-GeH4, Ar-CH4, and Ar-GeH4. Somewhat unexpectedly, the potential for He-GeH4 was intermediate between He-CH4 and He-SiH4; this apparent discrepancy, however, correlates with the bond polarities. The potential for Ar-CH4 can be satisfactorily predicted from that for He-CH4 by means of simple potential models and combination rules. The analogous prediction for Ar-GeH4 is unsatisfactory; reasons for the discrepancy are discussed.

Amdur, I.↗
DOE OSTI2024

Stable and unstable tiling patterns formed by ABC miktoarm star triblock terpolymers of symmetric interactions

Several discrepancies exist among previous self-consistent field calculations of symmetrically interacting ABC miktoarm star triblock terpolymer melts. Here we address this issue by including all known tiling patterns, as well as several lamellar-type phases known to bound the regions in the parameter space occupied by these patterns. After carefully studying the effect of numerical parameters on the free-energy accuracy, the central region of the phase diagram is constructed in detail; both the (3.4.6.4) pattern and the three-dimensional phase of hierarchical-hexagonal lamellae are found to be stable for the first time. The energetic and entropic contributions to the free-energy density of several phases are analyzed and compared in detail to reveal their stability mechanisms, including the important ( 3 2 .4.3.4) pattern. Comparisons to previous studies of the same model system are present throughout, with our results resolving the aforementioned discrepancies and providing a sound basis for future work to build upon. Published by the American Physical Society 2024

Materials Science↗
NASA NTRS1985

Estimation of dynamic rotor loads for the rotor systems research aircraft: Methodology development and validation

The Rotor Systems Research Aircraft uses load cells to isolate the rotor/transmission systm from the fuselage. A mathematical model relating applied rotor loads and inertial loads of the rotor/transmission system to the load cell response is required to allow the load cells to be used to estimate rotor loads from flight data. Such a model is derived analytically by applying a force and moment balance to the isolated rotor/transmission system. The model is tested by comparing its estimated values of applied rotor loads with measured values obtained from a ground based shake test. Discrepancies in the comparison are used to isolate sources of unmodeled external loads. Once the structure of the mathematical model has been validated by comparison with experimental data, the parameters must be identified. Since the parameters may vary with flight condition it is desirable to identify the parameters directly from the flight data. A Maximum Likelihood identification algorithm is derived for this purpose and tested using a computer simulation of load cell data. The identification is found to converge within 10 samples. The rapid convergence facilitates tracking of time varying parameters of the load cell model in flight.

Duval, R. W.↗
DOE OSTI2024

Formation of secondary organic aerosol from wildfire emissions enhanced by long-time ageing

Wildfire smoke, consisting primarily of organic aerosols, has profound impacts on air quality, climate and human health. Wildfire organic aerosol evolves over long-time photochemical oxidation due to the formation and ageing of secondary organic aerosol, which substantially changes its magnitude and properties. However, there are large uncertainties in the long-time ageing of wildfire organic aerosol because of the distinct ageing behaviours of the complex organic emissions. Here we developed an oxidation model that simulates the ageing of wildfire organic emissions in the full volatility range on a precursor level and integrated insights from single-species ageing and wildfire emissions ageing experiments and field plume observations to constrain the long-time ageing of wildfire organic aerosol. The model captured the enhancement of organic aerosol mass (2–8 times) and oxygen-to-carbon ratio (1–4 times) in the wildfire ageing experiments. It also reconciled a long-standing discrepancy between field and laboratory observations of the magnitude of secondary organic aerosol formation. The model indicated large emissions-driven variations in precursor contributions to secondary organic aerosol, which further evolve with long-time ageing. In conclusion, the estimated global wildfire secondary organic aerosol production (139 ± 34 Tg per year) was much higher than previous studies omitting or under-constraining long-time ageing.

58 GEOSCIENCES↗
DOE OSTI2022

FY22 Status Report on the ART-GCR CMVB and CNWG International Collaborations

This work presents the numerical model for the high temperature test reactor (HTTR) loss of forced cooling (LOFC) experiment with the INL codes Griffin, BISON, and RELAP-7, based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Promising results were obtained, with the overall behavior of the reactor successfully captured. Changes in the heat transfer coupling, as compared to the fiscal year (FY)-21 model, enabled drastic improvement of the steady-state solution, both in terms of computational time and global energy discrepancies. The former was reduced by a factor of roughly 60, whereas the latter decreased from 11% to less than 2%. Furthermore, the discrepancy in the steady-state multiplication factor was improved from +2,300 and +2,900 pcm (for the 30 and 9 MW cases) to -700 and +1,200 pcm, respectively, and now falls well within the large measurement uncertainties stemming from graphite impurities. Validation of the Monte Carlo model used to generate cross sections was also performed against available measurements. Though significant, the discrepancies remain acceptable overall in light of the large uncertainty. Numerous improvements are still needed to better compare with the experiment involving the 9 MW case and to instill greater confidence in the model’s ability to accurately predict the 30 MW behavior. Specifically, the power levels predicted by the 9 MW transient simulation following re-criticality remain low, pointing to an underestimation of the passive cooling of the core. A key aspect of future work will be to better understand the flow pattern during the LOFC event, particularly to determine if natural or forced convection is occurring inside the reactor pressure vessel (RPV). More generally, additional validation data would be immensely useful for further enhancing the numerical model and better matching the experiments. In addition, a more sophisticated thermal-hydraulics model that simulates all the channels as a single system model should be considered to take into account the rest of the primary loop. Finally, even if the results are in better agreement with the experiments, sensitivity analysis and uncertainty quantification will be necessary to evaluate the model uncertainty.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Review of thermal comfort infused with the latest big data and modeling progresses in public health

Thermal environment is important for both occupants’ comfort and health. Previously, the impacts of thermal environment were explored in the areas of thermal comfort and public health separately. This paper aims to bridge both disciplines by examining the correlation between comfort temperature and Minimum Mortality Temperature (MMT), which is a key index quantifying the association of health and weather temperature, through literature review and data-driven approach. It was found that the MMT data obtained from the public health area are generally in good agreement with the thermal neutral temperatures from the comfort perspective. The MMT data range from 17.2 °C to 30 °C, which are similar to the thermal neutral temperatures ranging from 19.5 °C to 30 °C based on the global field tests. Moreover, the MMT data demonstrate the potential to capture some complex distribution patterns of the field comfort data. The introduction of the health-temperature data could assist the intensive field experiments and modeling efforts and complement the thermal comfort dataset, which suffers from the problems of limited sample size. Some discrepancies between the two datasets were identified as well. The contextual factors other than the climate factor which may cause such discrepancies, such as socio-economics, population densities, etc. should be analyzed to enable the potential application of the health-temperature data and modeling to thermal comfort and health studies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Development of a BISON validation case for the TRISO transient irradiations in NSRR using effective heat capacity methods

The current tristructural isotropic (TRISO) fuel assessment and validation database in BISON primarily covers steady- state irradiation and high-temperature furnace testing. Transient assessment cases are potentially needed to support U.S. industry efforts in designing and deploying commercial reactors using TRISO fuels. Historical transient tests in- volving TRISO fuels used highly conservative conditions compared to the typical high-temperature gas-cooled reactor accident scenarios. Despite this, modeling historical transient tests is fundamental for evaluating BISON’s predictive capabilities, adapting material properties for high-temperature and high-particle-power regimes, and developing a sys- tematic validation approach for TRISO transient applications. This work developed a 1D model of transient experiments carried out at the Nuclear Safety Research Reactor using BISON. BISON’s predictions of energy deposition, UO 2 melting onset, and molten volume fractions are compared against experimental measurements. Melting was modeled using an effective specific heat capacity model for UO 2 . We found that BISON’s predictions are in reasonable agreement with experimental data for low-energy-deposition cases, and that BISON overpredicts melting at higher energy depositions. We also discuss the potential causes of discrepancies between the simulated and measured results and propose ways to further develop the model. Although these simulations used conservative conditions compared to those expected for actual TRISO-fueled reactors, they extended the range of conditions reflected in the data in the existing BISON database for TRISO fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

On the Realism of the Rain Microphysics Representation of a Squall Line in the WRF Model. Part II: Sensitivity Studies on the Rain Drop Size Distributions

A comparison between retrieved properties of the rain drop size distributions (DSDs) from multifrequency cloud radar observations and WRF Model results using either the Morrison or the Thompson bulk microphysics scheme is performed in order to evaluate the model’s ability to predict the rain microphysics. This comparison reveals discrepancies in the vertical profile of the rain DSDs for the stratiform region of the squall-line system observed on 12 June 2011 over Oklahoma. Based on numerical sensitivity analyses, this study addresses the bias at the top of the rain layer and the vertical evolution of the DSD properties (i.e., of D m and N$^{*}_{0}$). In this way, the Thompson scheme is used to explore the sensitivity to the melting process. Moreover, using the Thompson and Morrison schemes, the sensitivity of the DSD vertical evolution to different breakup and self-collection parameterizations is studied. Results show that the DSDs are strongly dependent on the representation of the melting process in the Thompson scheme. In the Morrison scheme, the simulations with more efficient breakup reproduce the DSD properties with better fidelity. Here, this study highlights how the inaccuracies in simulated D m and N$^{*}_{0}$ for both microphysics schemes can impact the evaporation rate, which is systematically underestimated in the model.

54 ENVIRONMENTAL SCIENCES↗