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NASA NTRSDate not supplied

Backshell Radiation Measurements in the EAST Facility for Titan Entry

A new test series was performed in the Electric Arc Shock Tube (EAST) facility, with the aim of reproducing conditions which will be encountered in the backshell of the Dragonfly spacecraft. Measurements of shock-layer radiation from CN Violet, CN Red and C 2 Swan bands are made in mixtures of 2.2% CH 4 in N 2 (by mole) heated by incident shock waves spanning from 3 to 7 km/s. This study focuses on the spectrally and spatially resolved measurement of absolute radiance made with four optical emission spectrometers spanning 220-1400 nm. Comparison with CFD simulations and equilibrium conditions were made. The predicted radiation was found to be between -40% to 100% from the measurements for the nonequilibrium peak radiance, increasing with velocity. At 7 cm/150 μs from the shock front, the discrepancies appear to be larger, ranging from -50 to 200%. Comparison between measured and predicted temperatures and number densities of CN indicate shortcomings in the non-Boltzmann model of CN.

Augustin Tibere-Inglesse↗

NASA NTRSDate not supplied

Backshell Radiation Measurements in the EAST Facility for Titan Entry

Augustin Tibere-Inglesse↗

DOE OSTI2021

Elucidating and predicting the dynamic evolution of water and land systems due to natural and energy-related forcings

Focal Area(s): 3. Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI; & 1. Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Science Challenge: Interactions between water, land, and energy systems are complex and occur on a variety of scales, ranging from local to basinal to regional. Accurately predicting the behavior of ground water and surface water systems for 5-10 years and beyond requires an understanding of the current system and the ability to model both the natural system at scale and human-induced forcings related to energy and other activities. Artificial intelligence and machine learning (AI/ML) combined with modern compilation and integration efforts for U.S. groundwater and surface water systems present potential solutions to bolstering detailed physics-based models of these systems. Big data tied with ML and physics-based modeling can drive breakthroughs in understanding the earth system, but research is often impeded by data access (e.g., privacy issues), quality, formats, gaps, multi-source, multi-scale, integration, and spatiotemporal challenges. Effective integration of real data and simulated (synthetic) data that fill gaps is critical. Overcoming these complex data and model integration challenges will enable a transformational approach to acquiring enhanced understanding of environmental systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Measurement of the 1-jettiness event shape observable in deep-inelastic electron-proton scattering at HERA

The H1 Collaboration reports the first measurement of the 1-jettiness event shape observable $τ^b_1$ in neutral-current deep-inelastic electron-proton scattering (DIS). The observable $τ^b_1$ is equivalent to a thrust observable defined in the Breit frame. The data sample was collected at the HERA ep collider in the years 2003–2007 with center-of-mass energy of $\sqrt{s}$ = 319 GeV, corresponding to an integrated luminosity of 351.1 pb -1 . Triple differential cross sections are provided as a function of $τ^b_1$, event virtuality $Q^2$, and inelasticity y, in the kinematic region $Q^2$ > 150 GeV 2 . Single differential cross section are provided as a function of $τ^b_1$ in a limited kinematic range. Double differential cross sections are measured, in contrast, integrated over $τ^b_1$ and represent the inclusive neutral-current DIS cross section measured as a function of $Q^2$ and y. The data are compared to a variety of predictions and include classical and modern Monte Carlo event generators, predictions in fixed-order perturbative QCD where calculations up to $\mathcal{O}$($α^3_s$) are available for $τ^b_1$ or inclusive DIS, and resummed predictions at next-to-leading logarithmic accuracy matched to fixed order predictions at $\mathcal{O}$($α^2_s$). These comparisons reveal sensitivity of the 1-jettiness observable to QCD parton shower and resummation effects, as well as the modeling of hadronization and fragmentation. Within their range of validity, the fixed-order predictions provide a good description of the data. Monte Carlo event generators are predictive over the full measured range and hence their underlying models and parameters can be constrained by comparing to the presented data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Quantitative Proteomics and Quantitative PCR as Predictors of cis -1,2-Dichlorethene and Vinyl Chloride Reductive Dechlorination Rates in Bioaugmented Aquifer Microcosms

Quantitative measurement of process-specific biomarker genes of Dehalococcoides mccartyi (Dhc) supports monitoring at chlorinated ethene contaminated sites. In this study, we varied Dhc cell abundances from ~103 to 108 cells/mL in aquifer microcosms and correlated the corresponding reductive dehalogenase (RDase) gene and RDase protein abundances with measured reductive dechlorination (RD) rates of cis-1,2-dichloroethene (cDCE) and vinyl chloride (VC). An additional set of microcosms tested the RD rate-predictive power of the regression analyses. These efforts revealed (1) that targeted proteomics quantifies Dhc biomarker proteins (e.g., TceA and VcrA, OmeA) over a relevant range of Dhc cell densities, and (2) that protein and gene abundances can predict RD rates. Protein detection limits translated to a rate coefficient of 10 –4 day –1 (0.04 year –1 ) for both k cDCE and k vc , which is within the range observed at sites undergoing monitored natural attenuation (MNA) (i.e., without the implementation of enhanced bioremediation treatment). Rates predicted using a combination of quantitative biomarker gene and protein measurements generally resulted in the best match with experimentally determined rate constants. These new findings provide evidence that quantitative biomarker measurements may be useful predictors of in situ RD rates, which would constitute a major advance for the cost-effective management of contaminated sites.

42 ENGINEERING↗

DOE OSTI2024

Applicability of 1D site response analysis to shallow sedimentary basins: A critical evaluation through physics-based 3D ground motion simulations

One-dimensional site response analysis (1D SRA) remains the standard practice in considering the effect of local soil deposits and predicting site-specific ground motions, although its range of applicability to realistic seismic wavefields is still in question. In this 1D approach, horizontal and vertical ground shaking are assumed to be induced by vertically propagating shear and compressional waves, respectively. A recent study based on analytical two-dimensional (2D) plane waves and simple point source earthquake simulations has shown two mechanistic limitations in this 1D modelling technique for general inclined seismic waves, that is, systematic over-prediction of the vertical motion and wave trapping in the 1D soil column. In this article, we evaluate in detail the applicability of this 1D modelling approach to realistic three-dimensional (3D) simulated seismic wavefields in shallow sedimentary basins. Linear-viscoelastic 1D SRA predictions using two types of input motions that are commonly used in practice—rock outcrop and in-column motions, are compared with the reference true site response results from 3D earthquake simulations in terms of various measures in the frequency and time domain. It is shown that the horizontal motion in the 3D seismic wavefield exhibits dominant shear wave propagation phenomenon, while the vertical motion is a combined effect of compressional and shear waves and can be over-predicted by the 1D approach when the incident seismic waves are inclined. Direct evidence of the wave refraction process that leads to the vertical motion over-prediction is provided. 1D SRA with in-column inputs can yield motions that have significantly longer duration compared to the true 3D site response solution due to trapped waves, casting in doubt the frequent need for increased soil damping in existing site studies to compensate for wave attenuation due to scattering alone. Sensitivity investigation on the increase of soil profile damping by a multiplier D mul shows D mul values compatible with those found in the literature for both horizontal and vertical motions. It is shown that the level of D mul optimized for a best match of the spectral acceleration is dependent on the characteristic of the input motion and a larger D mul is typically required for the vertical component. In contrast, 1D SRA with outcrop motions predicts motions with shorter significant duration due to its inability to capture the basin-edge generated surface waves. A suite of ground motion simulations was performed to assess the sensitivity of the observations to the basin geologic structure including the velocity gradient, rock-basin impedance contrast and basin depth. The analysis results show that the accuracy of the simplified 1D procedure is dependent on the wavefield composition of both the input motions and the true 3D site response solution. While the horizontal motions in shallow sedimentary basins can, to the first order, be reasonably captured by the simplified 1D approach, 1D SRA for the vertical component is in general not reliable and contributions from inclined shear waves should be accounted for in site-specific evaluation of the vertical design ground motion.

1D assumption↗

DOE OSTI2024

Understanding and Predicting the Spatially Resolved Adsorption Properties of Nanoporous Materials

Using knowledge from statistical thermodynamics and crystallography, we develop an image–image translation model, called SorbIIT, that uses three-dimensional grids of adsorbate–adsorbent interaction energies as input to predict the spatially resolved loading surface of nanoporous materials over a broad range of temperatures and pressures. SorbIIT consists of a closed-form differential model for loading-surface prediction and a U-Net to generate spatial differential distributions from the energy grids. SorbIIT is trained using the energy grids and adsorbate distributions (obtained from high-throughput simulations) of 50 synthesized and 70 hypothetical zeolites and applied for predicting the adsorption of carbon dioxide, hydrogen sulfide, n-butane, 2-methylpropane, krypton, and xenon in other zeolites from 256 to 400 K. In conclusion, employing a quadratic isotherm model for the local differentiation, SorbIIT yields mean R 2 values of 0.998 for total adsorption and 0.6904 for local adsorption with a resolution of 0.2 Å, and a value of 0.721 for the structural similarity of the local loading distribution.

Sun, Yangzesheng↗

NASA NTRS1972

The present thermal state of the terrestrial planets

The thermal state of bodies is discussed as an aspect of their internal dynamics for bodies of roughly meteoritic composition in the range of sizes of planetary objects. The rheological behaviour of planetary material is assumed to be represented by a Newtonian viscosity varying exponentially with temperature, and only the consistency of this assumption with the elastic view of the planets is considered. It is shown that for the whole range of physically plausible values of the material parameters, the temperature distribution associated with a solution to the problem of internal dynamics for bodies with external radii larger than about 800 km departs significantly from that predicted on conduction theory arguments. For bodies in the range of sizes of the terrestrial planets, the viscosity-temperature relationship plays a dominant role in setting the absolute temperature of the central regions.

Tozer, D. C.↗

NASA NTRS1984

Dynamic flow quality measurements in the Langley Low Turbulence Pressure Tunnel

The results of tests to measure the disturbance levels across the cooler, screens, and nozzle in the test section of the rehabilitated Langley Research Center Low Turbulence Pressure Tunnel are reported and discussed. The velocity fluctuations measured upstream and downstream of the cooler were approximately equal and ranged from 5 to 15 percent. The attenuation of the measured velocity fluctuations across the screen agreed with predictions from Dryden's (1949) theory. Velocity fluctuations in the test section ranged from 0.025 percent at Mach 0.05 to 0.3 percent at Mach 0.2. Pressure fluctuations at the test section walls agreed with previous measurements made under a turbulent boundary. The autocorrelation functions indicated that there were large reductions in the integral scale of turbulence across the cooler and screens. The spectra measured upstream and downstream of the cooler were mostly broadband.

Stainback, P. C.↗

NASA NTRS1994

Computational prediction of isolated performance of an axisymmetric nozzle at Mach number 0.90

An improved ability to predict external propulsive performance was incorporated into the three-dimensional Navier-Stokes code PAB3D. The improvements are the ability to account for skin friction and external pressure forces. Performance parameters for two axisymmetric supersonic cruise nozzle configurations were calculated to test the improved methodology. Internal and external flow-field regions were computed using a two-equation kappa-epsilon turbulent viscous-stress model. The computed thrust-minus-drag ratios were within 1 percent of the absolute level of experimental data and the trends of data were predicted accurately. The predicted trend of integrated nozzle pressure drag matched the trend of the integrated experimental pressure drag over a range of nozzle pressure ratios, but absolute drag levels were not accurately predicted.

Carlson, John R.↗

DOE OSTI2025

Modeling of hepatitis B virus infection spread in primary human hepatocytes

ABSTRACT Chronic hepatitis B virus (HBV) infection poses a significant global health threat, causing severe liver diseases including cirrhosis and hepatocellular carcinoma. We characterized HBV DNA kinetics in primary human hepatocytes (PHHs) over 32 days post-inoculation (p.i.) and modified ourin-vivoagent-based modeling (ABM) to gain insights into the HBV lifecycle and spreadin vitro. Parallel PHH cultures were mock-treated or treated with HBV entry inhibitor Myr-preS1 (6.25 µg/mL) was initiated 24 h p.i. In untreated PHH, three viral DNA kinetic patterns were identified: (i) an initial decline, followed by (ii) rapid amplification and (iii) slower amplification/accumulation. In the presence of Myr-preS1, viral DNA and infected cell numbers in phase 3 were effectively blocked, with minimal to no increase. This suggests that phase 2 represents viral amplification in initially infected cells, while phase 3 corresponds to viral spread to naïve cells. The ABM reproduced well the HBV kinetic patterns observed and predicted that the viral eclipse phase lasts between 18 and 38 h. After the eclipse phase, the viral production rate increased over time, starting with a slow production cycle of 1 virion per day, which gradually accelerated to 1 virion per hour after 3 days. Approximately 4 days later, virion production reached a steady state production rate of 4 virions/h. The estimated median efficacy of Myr-preS1 in blocking HBV spread was 91% (range: 90–92%). The HBV kinetics and the predicted estimates of the HBV eclipse phase duration and HBV production cycles in PHH are similar to those predicted in uPA/SCID mice with human livers. IMPORTANCE While primary human hepatocytes (PHHs) are the most physiologically relevant culture system for studying HBV infectionin vitro, a comprehensive understanding of HBV infection kinetics and spread in PHH is lacking. In this study, we characterize HBV viral kinetics and modify ourin vivoagent-based modeling (ABM) to provide quantitative insights into the HBV production cycle and viral spread in PHH. The ABM provides an estimate of the HBV eclipse phase duration, HBV production cycles, and Myr-preS1 efficacy in blocking HBV spread in PHH. The results resemble those predicted in uPA/SCID mice with human livers, demonstrating that estimated HBV infection kinetic parameters in PHHin vitromirror those observed in thein vivoHBV infection chimeric mouse model.

Virology↗

NASA NTRS1988

CFD and transonic helicopter sound

A computational method which predicts far-field impulsive noise from a transonic motor blade is demonstrated. This method couples near-field results from a full-potential finite-difference method with a new Kirchhoff integral formulation to extend the finite-difference results into the acoustic far-field. This Kirchhoff formula is written in a blade-fixed coordinate system. It requires initial data from the potential code on a plane at the sonic radius. A recent hovering rotor experiment is described where accurate pressure measurements were recorded on the sonic cylinder and at 2 and 3 radii. The potential code prediction of sonic cylinder pressures is excellent. Acoustic far-field pressure predictions show good agreement with hover experimental data over the range of speeds from 0.85 to 0.92 tip Mach number, the latter of which have delocalized transonic flow. These results are some of the first successful predictions for peak pressure amplitudes using a computational code.

Purcell, Timothy W.↗

DOE OSTI2020

Investigation of countercurrent flow profile and liquid holdup in random packed column with local CFD data

Liquid holdup and mass transfer area are critical parameters used in packed column design and CO 2 capture efficiency prediction. Compared to experimental methods, 3D computational fluid dynamics (CFD) can provide high-resolution data for studying countercurrent flow hydrodynamics in a packed column. In this paper, a framework was established for modeling the liquid–gas countercurrent flow in a random packed column with pall rings. Besides the column-averaged information, the radial pall ring distribution, velocity, and liquid holdup profiles are obtained in the simulations. The radial two-phase velocity and liquid holdup profiles show significant fluctuations caused by the non-uniform pall ring distribution. The entrance effect and wall influence are also observed in the packed column. By using local countercurrent flow information, the packing specific area $a_p$ and liquid velocity $u_L$ range are significantly expanded for liquid holdup hL prediction. This enables us to develop the liquid holdup correlation with one packing size and six CFD runs only. The proposed power law of the liquid holdup correlation $h_L~u_L^{0.44}$ indicates the random packed column falls in a viscous to turbulent transition regime with a Reynolds Number range of [6.7–40.2]. The derived liquid holdup correlation is in good agreement with existing correlations that are developed using the column-averaged experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

The solubility of La hydroxide and stability of La 3+ and La hydroxyl complexes at acidic to mildly acidic pH from 25 to 250 °C

The mobility of rare earth elements (REE) in natural hydrothermal systems can be assessed using geochemical modeling, which requires reliable thermodynamic data of relevant aqueous species. In this study, we evaluate the controls of pH and temperature on La speciation and the role of hydroxyl complexes in REE transport at hydrothermal conditions. Batch-type hydrothermal solubility experiments were conducted using synthetic La hydroxide powders equilibrated in perchloric acid-based aqueous solutions at temperatures between 150 and 250 °C and starting pH of 2 to 5. The La hydroxide solubility is retrograde with temperature and displays a strong pH dependence with a decrease in La concentrations from acidic to mildly acidic pH spanning between 3 and 5 orders of magnitude (e.g. log La molality of –2.5 to –7.2 at 250 °C). Thermodynamic optimizations using GEMSFITS allow to retrieve the standard partial molal Gibbs energies for the La 3+ aqua ion and the formation constants for the La hydroxyl species (i.e., LaOH 2+ , La(OH) 2 + , La(OH) 3 0 ) between 25 and 250 °C. A comparison between the experimentally derived thermodynamic properties with the calculated values from the Helgeson-Kirkham-Flowers equation of state parameters indicates an increased divergence with temperature. Discrepancies in standard partial molal Gibbs energies range between ~ 1 – 12 kJ/mol and result in a predicted La hydroxide solubility differing by up to 3 orders of magnitude at 250 °C. Speciation calculations indicate a higher stability of La 3+ and LaOH 2+ over the other La hydroxyl species in the studied pH range of 3.4 to 6. Here, the optimized thermodynamic properties for La aqueous species have important implications for modeling the solubility of REE minerals such as monazite and the mobility of REE in hydrothermal systems.

58 GEOSCIENCES↗

NASA NTRS2003

Crustal Structure of the Iceland Region from Spectrally Correlated Free-air and Terrain Gravity Data

Seismic refraction studies have provided critical, but spatially restricted constraints on the structure of the Icelandic crust. To obtain a more comprehensive regional view of this tectonically complicated area, we spectrally correlated free-air gravity anomalies against computed gravity effects of the terrain for a crustal thickness model that also conforms to regional seismic and thermal constraints. Our regional crustal thickness estimates suggest thickened crust extends up to 500 km on either side of the Greenland-Scotland Ridge with the Iceland-Faeroe Ridge crust being less extended and on average 3-5 km thinner than the crust of the Greenland-Iceland Ridge. Crustal thickness estimates for Iceland range from 25-35 km in conformity with seismic predictions of a cooler, thicker crust. However, the deepening of our gravity-inferred Moho relative to seismic estimates at the thermal plume and rift zones of Iceland suggests partial melting. The amount of partial melting may range from about 8% beneath the rift zones to perhaps 20% above the plume core where mantle temperatures may be 200-400 C above normal. Beneath Iceland, areally limited regions of partial melting may also be compositionally and mechanically layered

Leftwich, T. E.↗

NASA NTRS2003

Crustal Structure of the Iceland Region from Spectrally Correlated Free-air and Terrain Gravity Data

Leftwich, T. E.↗

NASA NTRS1989

Prediction of transitional (laminar-turbulent) hypersonic flows using the parabolized Navier-Stokes equations

Hypersonic transitional flow predictions have been made using the parabolized Navier-Stokes equations with an algebraic transition/turbulence model by appropriately modulating the turbulent viscosity with the available intermittency functions for incompressible and compressible flows. A comparison between the predictions with and without a low Reynolds number correction has also been made. The predictions are compared with the available experimental data and with the theory over a range of Mach number. A simple Re(theta)/M(delta) criterion is shown to satisfactorily predict the meridional variation of the onset location of transition on a cone at a small angle of attack, whereas none of the correlations discussed can do that. Various available correlations are discussed vis-a-vis the predictions as to the locations of the onset and the end of transition.

Kaul, Upender K.↗

NASA NTRS1992

The prediction of nonlinear dynamic loads on helicopters from flight variables using artificial neural networks

A method of indirectly monitoring component loads through common flight variables is proposed which requires an accurate model of the underlying nonlinear relationships. An artificial neural network (ANN) model learns relationships through exposure to a database of flight variable records and corresponding load histories from an instrumented military helicopter undergoing standard maneuvers. The ANN model, utilizing eight standard flight variables as inputs, is trained to predict normalized time-varying mean and oscillatory loads on two critical components over a range of seven maneuvers. Both interpolative and extrapolative capabilities are demonstrated with agreement between predicted and measured loads on the order of 90 percent to 95 percent. This work justifies pursuing the ANN method of predicting loads from flight variables.

Cook, A. B.↗