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DOE OSTI2022

J-PLUS: Spectral evolution of white dwarfs by PDF analysis

We estimated the spectral evolution of white dwarfs with effective temperature using the Javalambre Photometric Local Universe Survey (J-PLUS) second data release (DR2), which provides 12 photometric optical passbands over 2176 deg 2 . We analyzed 5926 white dwarfs with r ≤ 19.5 mag in common between a white dwarf catalog defined from Gaia EDR3 and J-PLUS DR2. We performed a Bayesian analysis by comparing the observed J-PLUS photometry with theoretical models of hydrogen- and helium-dominated atmospheres. We estimated the probability distribution functions for effective temperature (T eff ), surface gravity, parallax, and composition; and the probability of having a H-dominated atmosphere (p H ) for each source. We applied a prior in parallax, using Gaia EDR3 measurements as a reference, and derived a self-consistent prior for the atmospheric composition as a function of T eff . We described the fraction of white dwarfs with a He-dominated atmosphere (f He ) with a linear function of the effective temperature at 5000 < T eff < 30 000 K. We find f He = 0.24 ± 0.01 at T eff = 10 000 K, a change rate along the cooling sequence of 0.14 ± 0.02 per 10 kK, and a minimum He-dominated fraction of 0.08 ± 0.02 at the high-temperature end. We tested the obtained p H by comparison with spectroscopic classifications, finding that it is reliable. We estimated the mass distribution for the 351 sources with distance d < 100 pc, mass M > 0.45 M ⊙ , and T eff > 6000 K. The result for H-dominated white dwarfs agrees with previous studies, with a dominant M = 0.59 M ⊙ peak and the presence of an excess at M ~ 0.8 M ⊙ . This high-mass excess is absent in the He-dominated distribution, which presents a single peak. The J-PLUS optical data provide a reliable statistical classification of white dwarfs into H- and He-dominated atmospheres. We find a 21 ± 3% increase in the fraction of He-dominated white dwarfs from T eff = 20 000 K to T eff = 5000 K.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional

We investigate the temperature dependence of nuclear quantum effects (NQEs) on structural and dynamic properties of liquid water by training a neural network force field using first-principles molecular dynamics (FPMD) based on the strongly constrained and appropriately normed meta-generalized gradient approximation exchange-correlation approximation. The FPMD simulation based on density functional theory has become a powerful computational approach for studying a wide range of condensed phase systems. However, its large computational cost makes it difficult to incorporate NQEs in the simulation and investigate temperature dependence of various properties. To circumvent this difficulty, we use an artificial neural network model and employ the thermostatted ring polymer MD approach for studying the temperature dependence of NQEs on various properties. The NQEs generally bring the radial distribution functions closer to the experimental measurements. Translational diffusivity and rotational dynamics of water molecules are both slowed down by the NQEs. The competing inter-molecular and intra-molecular quantum effects on hydrogen bonds, as discussed by Habershon, Markland, and Manolopoulos [J. Chem. Phys. 131(2), 024501 (2019)], can explain the observed temperature dependence of the NQEs on the dynamical properties in our simulation.

Yao, Yi (ORCID:0000000299576979)↗

NASA NTRS2006

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗

NASA NTRS1990

Design of ceramic components with the NASA/CARES computer program

The ceramics analysis and reliability evaluation of structures (CARES) computer program is described. The primary function of the code is to calculate the fast-fracture reliability or failure probability of macro-scopically isotropic ceramic components. These components may be subjected to complex thermomechanical loadings, such as those found in heat engine applications. CARES uses results from MSC/NASTRAN or ANSYS finite-element analysis programs to evaluate how inherent surface and/or volume type flaws component reliability. CARES utilizes the Batdorf model and the two-parameter Weibull cumulative distribution function to describe the effects of multiaxial stress states on material strength. The principle of independent action (PIA) and the Weibull normal stress averaging models are also included. Weibull material strength parameters, the Batdorf crack density coefficient, and other related statistical quantities are estimated from four-point bend bar or uniform uniaxial tensile specimen fracture strength data. Parameter estimation can be performed for a single or multiple failure modes by using a least-squares analysis or a maximum likelihood method. Kolmogorov-Smirnov and Anderson-Darling goodness-to-fit-tests, 90 percent confidence intervals on the Weibull parameters, and Kanofsky-Srinivasan 90 percent confidence band values are also provided. Examples are provided to illustrate the various features of CARES.

Nemeth, Noel N.↗

NASA NTRS1994

Architecture and evolution of Goddard Space Flight Center Distributed Active Archive Center

The Goddard Space Flight Center (GSFC) Distributed Active Archive Center (DAAC) has been developed to enhance Earth Science research by improved access to remote sensor earth science data. Building and operating an archive, even one of a moderate size (a few Terabytes), is a challenging task. One of the critical components of this system is Unitree, the Hierarchical File Storage Management System. Unitree, selected two years ago as the best available solution, requires constant system administrative support. It is not always suitable as an archive and distribution data center, and has moderate performance. The Data Archive and Distribution System (DADS) software developed to monitor, manage, and automate the ingestion, archive, and distribution functions turned out to be more challenging than anticipated. Having the software and tools is not sufficient to succeed. Human interaction within the system must be fully understood to improve efficiency to improve efficiency and ensure that the right tools are developed. One of the lessons learned is that the operability, reliability, and performance aspects should be thoroughly addressed in the initial design. However, the GSFC DAAC has demonstrated that it is capable of distributing over 40 GB per day. A backup system to archive a second copy of all data ingested is under development. This backup system will be used not only for disaster recovery but will also replace the main archive when it is unavailable during maintenance or hardware replacement. The GSFC DAAC has put a strong emphasis on quality at all level of its organization. A Quality team has also been formed to identify quality issues and to propose improvements. The DAAC has conducted numerous tests to benchmark the performance of the system. These tests proved to be extremely useful in identifying bottlenecks and deficiencies in operational procedures.

Bedet, Jean-Jacques↗

DOE OSTI2020

Computational predictions of porosities, pore size distributions, and conductivities of aerosol deposited particulate films

The structure and resulting physical properties of aerosol deposited particulate films are governed by the size distribution and morphology of the depositing particles as well as the physics governing particle deposition. While particulate film deposition processes are qualitatively understood, the link between particle characteristics and deposition physics to film properties has not been probed systematically. Here we apply a combination of Langevin dynamics deposition simulations, Monte Carlo pore size distribution calculations, and predictions of thermal conductivities to better establish such process parameter-film property relationships. Furthermore, we account for partial coalescence, polydispersity, and aggregate deposition. We establish that the deposition of polydisperse and aggregated particles leads to broadening of the pore size distribution function and an increase in the mode pore size. Via a non-continuum gas conductivity model, we show that aerosol deposited films can achieve porosities and thermal conductivities similar to conventional aerogels.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Data-Driven Probabilistic Voltage Risk Assessment of MiniWECC System with Uncertain PVs and Wind Generations using Realistic Data

Here, it is found from actual data that due to generation dispatch and uncertain renewable generations and loads with complicated correlations, inferring the probabilistic distributions for uncertain inputs is challenging. Many probabilistic power flow approaches have been developed in the literature but their validations using realistic systems and data are lacking. This paper proposes a data-driven probabilistic analysis approach for system risk assessment of the miniWECC system using actual data. The sparse Gaussian process (SGP) is advocated to quantify the impacts of uncertain inputs on voltage security. SGP does not need the probability distribution function of uncertain inputs, can handle correlations and is highly computationally efficient. Results on the miniWECC system using realistic data show that SGP outperforms existing approaches and is able to quantify the voltage violation risks.

17 WIND ENERGY↗

NASA NTRS2002

Mountain-Top-to-Mountain-Top Optical Link Demonstration

A mountain-top-to-mountain-top optical link was demonstrated between JPL's Table Mountain Facility (TMF), Wrightwood, California, and Strawberry Peak (SP), Lake Arrowhead, California, during the months of June, August, and September of 2000. The bidirectional laser link was nearly horizontal at an altitude of 2 km and spanned a range of 46.8 km. The 780-nm beacon laser transmitted from TMF comprised eight co-propagating mutually incoherent laser beams. The normalized variance or scintillation index (SI) of the individual beacon lasers measured by recording the signal received through 8.50-cm-diameter spotting telescopes on three different nights (June 28-30, 2000) was 1.05 +/- 0.2, 1.76 +/- 0.6, and 0.96 +/- 0.24, respectively. These measurements agreed with values predicted by a heuristic model. The SI of the signal received at SP was found to decrease progressively with an increasing number of beams, and a factor of 3 to 3.5 reduction was achieved for all eight beams. The beam divergence determined by mapping out the point spread function of a few of the individual laser footprints received at SP was 85 to 150 microrad, compared to a design goal of 120 microrad. The 852-nm communications laser beam received at TMF through a 60-cm-diameter telescope on the nights of August 4 and September 14 and 15, 2000, yielded SI values of 0.23 +/- 0.04, 0.32 +/- 0.01, and 0.49 +/- 0.18, respectively, where the reduction was attributed to aperture averaging. The probability distribution functions of the received signal at either end, mitigated by multi-beam averaging in one direction and by aperture averaging in the other direction, displayed lognormal behavior. Consequently, the measured fade statistics showed good agreement with a lognormal model.

Biswas, A.↗

NASA NTRS2017

Kinetic Theory and Fast Wind Observations of the Electron Strahl

We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.

Horaites, Konstantinos↗

NASA NTRS1989

Rain attenuation measurements: Variability and data quality assessment

Year to year variations in the cumulative distributions of rain rate or rain attenuation are evident in any of the published measurements for a single propagation path that span a period of several years of observation. These variations must be described by models for the prediction of rain attenuation statistics. Now that a large measurement data base has been assembled by the International Radio Consultative Committee, the information needed to assess variability is available. On the basis of 252 sample cumulative distribution functions for the occurrence of attenuation by rain, the expected year to year variation in attenuation at a fixed probability level in the 0.1 to 0.001 percent of a year range is estimated to be 27 percent. The expected deviation from an attenuation model prediction for a single year of observations is estimated to exceed 33 percent when any of the available global rain climate model are employed to estimate the rain rate statistics. The probability distribution for the variation in attenuation or rain rate at a fixed fraction of a year is lognormal. The lognormal behavior of the variate was used to compile the statistics for variability.

Crane, Robert K.↗

DOE OSTI2022

Improved Boundary Conditions for Coupled Geospace Models: An Application in Modeling Spacecraft Surface Charging Environment

Abstract Spacecraft surface charging in the inner magnetosphere often occurs in the pre‐midnight to the dawn sector when electron fluxes of tens of keV increase. Inner magnetosphere ring current models can be used to simulate/predict the spacecraft surface charging environment, with their outer boundary conditions specified either based on observations or provided by other models, such as MHD models. In the latter approach, using MHD quantities, the flux spectrum at the outer boundary is commonly assumed to follow a Kappa or Maxwellian distribution function. Such a method however often departs greatly from the realistic spectrum at E < tens of keV, a crucial energy range in the surface charging anomaly. In order to achieve a better representation of the surface charging environment, we propose to combine the MHD‐parameterized flux spectrum with an empirical electron flux model of E < 40 keV to set the electron flux boundary condition. Results indicate that as opposed to the case where the MHD‐parameterized flux distribution is solely used at the model boundary, simulations with the new boundary condition yields a more intense surface charging environment. The integrated electron flux between 10 < E < 50 keV, a measure of the severity of the surface charging environment, is significantly enhanced by 1‐2 orders of magnitude, leading to a much better agreement with Van Allen Probes measurements. This study hence demonstrates a reasonable solution to the setting of outer boundary conditions for inner magnetosphere models and is recommended for coupled geospace circulation models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Resolving domain positions of cellobiose dehydrogenase by small angle X–ray scattering

The interdomain electron transfer (IET) between the catalytic flavodehydrogenase domain and the electron-transferring cytochrome domain of cellobiose dehydrogenase (CDH) plays an essential role in biocatalysis, biosensors and biofuel cells, as well as in its natural function as an auxiliary enzyme of lytic polysaccharide monooxygenase. We investigated the mobility of the cytochrome and dehydrogenase domains of CDH, which is hypothesised to limit IET in solution by small angle X-ray scattering (SAXS). CDH from Myriococcum thermophilum (syn. Crassicarpon hotsonii, syn. Thermothelomyces myriococcoides) was probed by SAXS to study the CDH mobility at different pH and in the presence of divalent cations. By comparison of the experimental SAXS data, using pair-distance distribution functions and Kratky plots, we show an increase in CDH mobility at higher pH, indicating alterations of domain mobility. To further visualise CDH movement in solution, we performed SAXS-based multistate modelling. Glycan structures present on CDH partially masked the resulting SAXS shapes, we diminished these effects by deglycosylation and studied the effect of glycoforms by modelling. The modelling shows that with increasing pH, the cytochrome domain adopts a more flexible state with significant separation from the dehydrogenase domain. On the contrary, the presence of calcium ions decreases the mobility of the cytochrome domain. Experimental SAXS data, multistate modelling and previously reported kinetic data show how pH and divalent ions impact the closed state necessary for the IET governed by the movement of the CDH cytochrome domain.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1993

Derivation of Delaware Bay tidal parameters from Space Shuttle photography

The tide-related parameters of the Delaware Bay are derived from Space Shuttle time-series photographs. The water areas in the bay are measured from interpretation maps of the photographs with a CALCOMP 9100 digitizer and ERDAS Image Processing System. The corresponding tidal levels are calculated using the exposure time annotated on the photographs. From these data, an approximate function relating the water area to the tidal level at a reference point is determined. Based on the function, the water areas of the Delaware Bay at mean high water (MHW) and mean low water (MLW), below 0 m, and for the tidal zone are inferred. With MHW and MLW areas and the mean tidal range, we calculate the tidal influx of the Delaware Bay, which is 2.76 x 10 exp 9 cu m. The velocity of flood tide at the bay mouth is determined using the tidal flux and an integral of the velocity distribution function at the cross section between Cape Henlopen and Cape May. The result is 132 cm/s, which compares well with the data on tidal current charts.

Zheng, Quanan↗

NASA NTRSDate not supplied

A Historical Overview of the NASA Orbital Debris Program Office’s Laboratory Optical Measurements

The NASA Orbital Debris Program Office (ODPO) has used laboratory measurements to help bring ground-based measurements together with models to ascertain Earth-orbiting target parameters of interest to support various orbital debris models. In 2005, the Optical Measurement Center (OMC) was established to simulate space-based illumination conditions using equipment and techniques that recreate telescopic observations, particularly source-target-sensor orientations. The intent was to recreate light curves using known aspect angles of known targets and phase angles (angle is defined by the vertex between illumination source-object-detector) to complement telescopic observations that could be used to update the current optical size estimation model (OSEM) – a model that converts object brightness into size for orbital debris models. To support the above goals, the laboratory has undergone several equipment upgrades to increase capabilities over almost 20 years of operation. The primary instrumentation acquires reflectance measurements and includes a solar-like light source, CCD camera with astrometric filters, and robotic arm. A rotary arm was added approximately five years after full operation to allow acquisition through a full 360° range of phase angles. Another part of the OMC instrumentation is a field spectrometer, predominately used for field operations to acquire pre- and post-flight spacecraft material spectral measurements. Additionally, reflectance spectroscopy of various materials is also of interest resulting from hypervelocity impact tests, pristine spacecraft materials, or samples of materials that are used in spacecraft design. These measurements are stored in NASA’s Spectral Material Database, a resource that is still being populated today. The study of spectral measurements also enabled the development of spectral unmixing routines to support the identification of spacecraft materials from spectral data gathered by ground based telescopes. Preliminary OMC investigations focused on feasibility studies to acquire 360° rotation light curves of simple shapes at a single-phase angle and extended to measurements of representative fragments from ground-based explosion tests. To correlate the light curves with ground-based optical measurements, a focused study on high area to mass materials was conducted in support of a newly identified population (at the time) in geosynchronous orbit (GEO) consisting of multi-layered insulation. To further characterize orbital debris, a larger selection of materials was analyzed using laboratory photometric measurements that included representative targets from pristine spacecraft materials and ground-based impact tests. Around 2012, an initiative was requested to understand the feasibility of active debris removal (ADR) of larger targets using grappling methods for spent rocket bodies. Using a priori information on selected targets, scaled-down versions of rocket bodies were generated thanks to improvements in 3D printing technology and machining. These targets were studied in the OMC to understand rotation characteristics. These were compared with telescopic data to determine if the tumble and rotation angles would allow ADR. In 2013, the OMC focused on combining spectral measurements with photometric data to characterize GEO orbital debris. Several years later, NASA acquired a Titan III Transtage test article from “The Boneyard” with a high-resemblance to on-orbit Titan III Transtage rocket bodies, allowing physical access to a representative rocket body that suffered fragmentations in GEO. This prompted the creation of 3D models using lidar technology and spectral measurements of the materials. Focused research also transitioned to specific materials (i.e., solar cells) when telescopic surveys requested characterization of specific GEO targets. In the different research products presented, the focus has been to understand the various parameters that influence optical size estimation, including albedo, phase functions, and brightness variations. Work in this area continues with newer sources of data, including DebriSat, a high-fidelity 56-kg spacecraft replica representative of a modern low Earth orbit (LEO) satellite subjected to a laboratory hypervelocity impact test to understand fragmentation events and to support updates to satellite breakup models and size estimation models. Utilizing the vast population of fragments from DebriSat and prior laboratory impact experiments, the ODPO has focused on acquiring bidirectional reflectance distribution function (BRDF) data to characterize targets in the laboratory, thus removing aspect angle dependencies. Additionally, the DebriSat project has provided improved processes for measuring size via image acquisition, such that a true fragment size can be directly compared to the derived size using the OSEM. The team continues to assess BRDFs and use spectral measurement data to investigate the parameters used in the OSEM, specifically magnitudes, albedo, and phase functions.

Heather Cowardin↗

DOE OSTI2022

Photon Doppler velocimetry surface return study for common surface preparations

Photon Doppler velocimetry (PDV) is a ubiquitous diagnostic method in dynamic compression experiments. It typically requires the roughening of the test surface to ensure scattering of the probe light back into the PDV probe at non-normal angles of incidence. Although surface scattering plays an essential role in the quality of PDV data, surface scattering properties for common materials and preparations have not previously been studied with specific relevance to PDV. Here, we present detailed measurements of the bidirectional reflectance distribution function for four different surface preparations (Scotch-Brite hand and drill roughened, ball-rolled, and grit blasted) and four different materials (copper, aluminum, stainless steel, and tantalum). These measurements employ a conventional PDV probe and obtain a diffraction limited angular resolution with 10 pW accuracy and 2.6% repeatability. In addition to scattering data, we employ scattering theory and simulations to accurately emulate the measured data. We also present a straightforward method to derive the average scattering distribution from surface profilometry and observe several qualitative aspects of the scattering data that may help to optimize PDV signals.

42 ENGINEERING↗

NASA NTRS1980

MRS proof-of-concept on atmospheric corrections. Atmospheric corrections using an orbital pointable imaging system

The feasibility of using a pointable imager to determine atmospheric parameters was studied. In particular the determination of the atmospheric extinction coefficient and the path radiance, the two quantities that have to be known in order to correct spectral signatures for atmospheric effects, was simulated. The study included the consideration of the geometry of ground irradiance and observation conditions for a pointable imager in a LANDSAT orbit as a function of time of year. A simulation study was conducted on the sensitivity of scene classification accuracy to changes in atmospheric condition. A two wavelength and a nonlinear regression method for determining the required atmospheric parameters were investigated. The results indicate the feasibility of using a pointable imaging system (1) for the determination of the atmospheric parameters required to improve classification accuracies in urban-rural transition zones and to apply in studies of bi-directional reflectance distribution function data and polarization effects; and (2) for the determination of the spectral reflectances of ground features.

Slater, P. N.↗

NASA NTRSDate not supplied

Cumulative Distribution Overlap Technique for Artemis Mission Public Entry Risk Assessment

The Artemis missions use a skip-entry profile to accomplish a recovery near the western US coastline, however, the service module debris must still be disposed of safely. For certain contingency return scenarios, the expected dispersed entry profile is biased from the well-analyzed corridor. A novel method is presented for assessing the Cumulative Distribution Function (CDF) of these biased results to ensure they do not contribute additional probabilistic risk to the public. More specifically, the weight of the flight path angle dispersion "tail" of the CDF needs to remain below the well-assessed region. The details of how this method was actually used to screen and plan entry profiles for specific launch windows during the Artemis I mission are shown. This method has potential applicability in other problems where a biased distribution needs to be assessed against a well-defined "core" region.

Reentry↗

NASA NTRSDate not supplied

Cumulative Distribution Overlap Technique for Artemis Mission Public Entry Risk Assessment

Reentry↗