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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 505 records · Page 28

Space Suit Joint Torque Measurement Method Validation

In 2009 and early 2010, a test method was developed and performed to quantify the torque required to manipulate joints in several existing operational and prototype space suits. This was done in an effort to develop joint torque requirements appropriate for a new Constellation Program space suit system. The same test method was levied on the Constellation space suit contractors to verify that their suit design met the requirements. However, because the original test was set up and conducted by a single test operator there was some question as to whether this method was repeatable enough to be considered a standard verification method for Constellation or other future development programs. In order to validate the method itself, a representative subset of the previous test was repeated, using the same information that would be available to space suit contractors, but set up and conducted by someone not familiar with the previous test. The resultant data was compared using graphical and statistical analysis; the results indicated a significant variance in values reported for a subset of the re-tested joints. Potential variables that could have affected the data were identified and a third round of testing was conducted in an attempt to eliminate and/or quantify the effects of these variables. The results of the third test effort will be used to determine whether or not the proposed joint torque methodology can be applied to future space suit development contracts.

Valish, Dana↗

Characterizing Signatures of Geothermal Exploration Data with Machine Learning Techniques: An Application to the Nevada Play Fairway Analysis

We are introducing machine learning methods to the play fairway analysis to generate geothermal potential maps to support the evaluation of geothermal resource potential and the exploration for undiscovered blind geothermal systems in the Nevada Great Basin region. Our project aims to identify new ways to combine the play fairway data and empirically organize relationships between feature weights and labels in an improved workflow. As a means of doing this, we introduce machine learning methods to evaluate the influence of certain geological and geophysical features/feature sets in predicting geothermal favorability. This report highlights promising approaches based on supervised and unsupervised learning methods. First, we demonstrate a filter method applied to supervised classification modeling. The supervised filter method is based on permutation analysis to evaluate every possible feature combination/drop out scenario and rank feature influence based on the performance variance of supervised classification models. Additionally, we present an unsupervised factor analysis based on principal component analysis coupled with a semi-supervised kmeans clustering algorithm. This analysis allows us to identify the optimal number of groups/clusters for training sites and structural settings to identify feature patterns including correlation, variance, and latent and dominant feature relationships. The results from these methods offer a promising avenue for identifying favorable sources of predictive information to identify the locations of blind geothermal systems and furthering our understanding of complex geothermal feature and label relationships in the Great Basin region and beyond.

15 GEOTHERMAL ENERGY↗

A hybrid Monte Carlo-deterministic second moment method with efficient variance reduction

In this work, we present a hybrid method that combines Monte Carlo with deterministic finite element methods to solve a linear Boltzmann transport equation. Our hybrid method runs orders of magnitude faster than Monte Carlo, without sacrificing accuracy, for a proxy problem from radiative transfer that contains both optically-thick and optically-thin material. We believe that this is the first demonstration of a hybrid Second Moment Method in more than one spatial dimension, the first to consider more than one material, and the first to use variance reduction. Our variance reduction approach arises from an asymptotic analysis in which we show that the magnitude of the scattering source grows without bound. We transform the problem to compute the deviation of the radiation intensity from isotropy. The magnitude of the source in the transformed problem is bounded, and the quality of the hybrid method solution is dramatically improved by a substantial reduction in the variance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Extreme metrics from large ensembles: investigating the effects of ensemble size on their estimates

Abstract. We consider the problem of estimating the ensemble sizes required to characterize the forced component and the internal variability of a number of extreme metrics. While we exploit existing large ensembles, our perspective is that of a modeling center wanting to estimate a priori such sizes on the basis of an existing small ensemble (we assume the availability of only five members here). We therefore ask if such a small-size ensemble is sufficient to estimate accurately the population variance (i.e., the ensemble internal variability) and then apply a well-established formula that quantifies the expected error in the estimation of the population mean (i.e., the forced component) as a function of the sample size n, here taken to mean the ensemble size. We find that indeed we can anticipate errors in the estimation of the forced component for temperature and precipitation extremes as a function of n by plugging into the formula an estimate of the population variance derived on the basis of five members. For a range of spatial and temporal scales, forcing levels (we use simulations under Representative Concentration Pathway 8.5) and two models considered here as our proof of concept, it appears that an ensemble size of 20 or 25 members can provide estimates of the forced component for the extreme metrics considered that remain within small absolute and percentage errors. Additional members beyond 20 or 25 add only marginal precision to the estimate, and this remains true when statistical inference through extreme value analysis is used. We then ask about the ensemble size required to estimate the ensemble variance (a measure of internal variability) along the length of the simulation and – importantly – about the ensemble size required to detect significant changes in such variance along the simulation with increased external forcings. Using the F test, we find that estimates on the basis of only 5 or 10 ensemble members accurately represent the full ensemble variance even when the analysis is conducted at the grid-point scale. The detection of changes in the variance when comparing different times along the simulation, especially for the precipitation-based metrics, requires larger sizes but not larger than 15 or 20 members. While we recognize that there will always exist applications and metric definitions requiring larger statistical power and therefore ensemble sizes, our results suggest that for a wide range of analysis targets and scales an effective estimate of both forced component and internal variability can be achieved with sizes below 30 members. This invites consideration of the possibility of exploring additional sources of uncertainty, such as physics parameter settings, when designing ensemble simulations.

54 ENVIRONMENTAL SCIENCES↗

Conformational space exploration of cryo-EM structures by variability refinement

Cryo-EM observation of biological samples enables visualization of sample heterogeneity, in the form of discrete states that are separable, or continuous heterogeneity as a result of local protein motion before flash freezing. Variability analysis of this continuous heterogeneity describes the variance between a particle stack and a volume, and results in a map series describing the various steps undertaken by the sample in the particle stack. While this observation is absolutely stunning, it is very hard to pinpoint structural details to elements of the maps. Here, in order to bridge the gap between observation and explanation, we designed a tool that refines an ensemble of structures into all the maps from variability analysis. Using this bundle of structures, it is easy to spot variable parts of the structure, as well as the parts that are not moving. Comparison with molecular dynamics simulations highlights the fact that the movements follow the same directions, albeit with different amplitudes. Ligand can also be investigated using this method. Variability refinement is available in the Phenix software suite, accessible under the program name phenix.varref.

59 BASIC BIOLOGICAL SCIENCES↗

Estimation of surface heat and moisture fluxes over a prairie grassland. II - Two-dimensional time filtering and site variability

The behavior of in situ measurements of surface fluxes obtained during FIFE 1987 is examined by using correlative and spectral techniques in order to assess the significance of fluctuations on various time scales, from subdiurnal up to synoptic, intraseasonal, and annual scales. The objectives of this analysis are: (1) to determine which temporal scales have a significant impact on areal averaged fluxes and (2) to design a procedure for filtering an extended flux time series that preserves the basic diurnal features and longer time scales while removing high frequency noise that cannot be attributed to site-induced variation. These objectives are accomplished through the use of a two-dimensional cross-time Fourier transform, which serves to separate processes inherently related to diurnal and subdiurnal variability from those which impact flux variations on the longer time scales. A filtering procedure is desirable before the measurements are utilized as input with an experimental biosphere model, to insure that model based intercomparisons at multiple sites are uncontaminated by input variance not related to true site behavior. Analysis of the spectral decomposition indicates that subdiurnal time scales having periods shorter than 6 hours have little site-to-site consistency and therefore little impact on areal integrated fluxes.

Crosson, William L.↗

The Transport of Density Fluctuations Throughout the Heliosphere

The solar wind is recognized as a turbulent magnetofluid, for which the properties of the turbulent velocity and magnetic field fluctuations are often described by the equations of incompressible magnetohydrodynamics (MHD). However, low-frequency density turbulence is also ubiquitous. On the basis of a nearly incompressible formulation of MHD in the expanding inhomogeneous solar wind, we derive the transport equation for the variance of the density fluctuations (Rho(exp 2)). The transport equation shows that density fluctuations behave as a passive scalar in the supersonic solar wind. In the absence of sources of density turbulence, such as within 1AU, the variance (Rho(exp 2)) approximates r(exp -4). In the outer heliosphere beyond 1 AU, the shear between fast and slow streams, the propagation of shocks, and the creation of interstellar pickup ions all act as sources of density turbulence. The model density fluctuation variance evolves with heliocentric distance within approximately 300 AU as (Rho(exp 2)) approximates r(exp -3.3) after which it flattens and then slowly increases. This is precisely the radial profile for the density fluctuation variance observed by Voyager 2. Using a different analysis technique, we confirm the radial profile for Rho(exp 2) of Bellamy, Cairns, & Smith using Voyager 2 data. We conclude that a passive scalar description for density fluctuations in the supersonic solar wind can explain the density fluctuation variance observed in both the inner and the outer heliosphere.

Zank, G. P.↗

Proof that Combining the Forced-collision and DXTRAN Monte Carlo Variance-reduction Techniques is Fair

This report provides mathematical proof that the MCNP DXTRAN (also known in other codes as forced-flight) and forced-collision variance-reduction techniques do not bias the expected value of Monte Carlo simulation estimates when combined. Proof is also provided that the techniques are unbiased when used independently. To prove that the techniques are unbiased, this report derives the first History Score Moment Equation (HSME) for non-multiplying media employing only forced collisions, only DXTRAN, and then both the variance-reduction techniques combined, as defined next. The HSMEs are found by forming the History Score Probability Density Functions (HSPDFs) and then taking the first score moment. Following its derivation, each HSME with a variance-reduction technique employed is reduced to the HSME for an analog simulation. Because the HSME represents the expected contribution to estimators in the simulation, reducing the HSME with variance reduction to the analog HSME shows that the simulation is unbiased despite the variance-reduction technique considered in the HSME. Analysis regarding higher-score moments of each technique is the subject of prior work and is not addressed herein. Throughout this work, the phase space p is defined to be the particle position x, direction-of-flight unit vector $\hat{Ω}$, energy E, and statistical weight w, $$p ≡ (x; \hat{Ω}; E; w).$$ A reduced phase-space excluding the statistical weight of the particle, $$r ≡ (x; \hat{Ω}; E),$$ is also used.

97 MATHEMATICS AND COMPUTING↗

Extension and Statistical Analysis of the GACP Aerosol Optical Thickness Record.

The primary product of the Global Aerosol Climatology Project (GACP) is a continuous record of the aerosol optical thickness (AOT) over the oceans. It is based on channel-1 and -2 radiance data from the Advanced Very High Resolution Radiometer (AVHRR) instruments flown on successive National Oceanic and Atmospheric Administration (NOAA) platforms. We extend the previous GACP dataset by four years through the end of 2009 using NOAA-17 and -18 AVHRR radiances recalibrated against MODerate resolution Imaging Spectroradiometer (MODIS) radiance data, thereby making the GACP record almost three decades long. The temporal overlap of over three years of the new NOAA-17 and the previous NOAA-16 record reveals an excellent agreement of the corresponding global monthly mean AOT values, thereby confirming the robustness of the vicarious radiance calibration used in the original GACP product. The temporal overlap of the NOAA-17 and -18 instruments is used to introduce a small additive adjustment to the channel-2 calibration of the latter resulting in a consistent record with increased data density. The Principal Component Analysis (PCA) of the newly extended GACP record shows that most of the volcanic AOT variability can be isolated into one mode responsible for ~12% of the total variance. This conclusion is confirmed by a combined PCA analysis of the GACP, MODIS, andMulti-angle Imaging SpectroRadiometer (MISR) AOTs during the volcano-free period fromFebruary 2000 to December 2009.We show that the modes responsible for the tropospheric AOT variability in the three datasets agree well in terms of correlation and spatial patterns. A previously identified negative AOT trend which started in the late 1980s and continued into the early 2000s is confirmed. Its magnitude and duration indicate that it was caused by changes in tropospheric aerosols. The latest multi-satellite segment of the GACP record shows that this trend tapered off, with no noticeable AOT change after 2002. This result is consistent with the MODIS andMISR AOT records as well as with the recent gradual reversal frombrightening to dimming revealed by surface flux measurements in many aerosol producing regions. Thus the robustness of the GACP record is confirmed, increasing our confidence in the validity of the negative trend. Although the nominal negative GACP AOT trend could partially be an artifact of increasing aerosol absorption, we argue that the time dependence of the GACP record, including the latest flat period, is more consistent with the actual decrease in the tropospheric AOT.

aerosols↗

The role of cool-flame fluctuations in high-pressure spray flames, studied using high-speed optical diagnostics and Large-Eddy Simulations

Here this work investigates the low- and high-temperature ignition and combustion processes, applied to the Engine Combustion Network Spray A flame, combining advanced optical diagnostics and large-eddy simulations (LES). Simultaneous high-speed (50 kHz) formaldehyde (CH 2 0) planar laser-induced fluorescence (PLIF) and line-of-sight OH* chemiluminescence imaging were used to measure the low- and high-temperature flame, during ignition as well as during quasi-steady combustion. While tracking the cool flame at the laser sheet plane, the present experimental setup allows detection of distinct ignition spots and dynamic fluctuations of the lift-off length over time, which overcomes limitations for flame tracking when using schlieren imaging. After significant development to improve LES prediction of the low-and high-temperature flame position, both during the ignition processes and quasi-steady combustion, the simulations were analyzed to gain understanding of the mixture variance and how this variance affects formation/consumption of CH 2 0. Analysis of the high-temperature ignition period shows that a key improvement in the LES is the ability to predict heterogeneous ignition sites, not only in the head of the jet, but in shear layers at the jet edge close to the position where flame lift-off eventually stabilizes. The LES analysis also shows concentrated pockets of CH 2 0, in the center of jet and at 20 mm downstream of the injector (in regions where the equivalence ratio is greater than 6), that are of similar length scale and frequency as the experiment (approximately 5–6 kHz). The periodic oscillation of CH 2 0 match the frequency of pressure waves generated during auto-ignition and reflected within the constant-volume vessel throughout injection. The ability of LES to capture the periodic appearance and destruction of CH 2 0 is particularly important because these structures travel downstream and become rich premixed flames that affect soot production.

42 ENGINEERING↗

Investigation of the Effect of Framework Flexibility on CO 2 Adsorption in SIFSIX-3-Cu Using a Machine-Learned Force Field

Metal–organic frameworks (MOFs) offer promise as selective CO 2 sorbents, but successful MOF sorbent materials need high CO 2 binding affinity and selectivity for CO 2 over water. This work focuses on the use of machine-learned force fields (MLFFs) to model CO 2 adsorption in flexible MOFs, with a focus on SIFSIX-3-Cu, an anion-pillared MOF known for its high CO 2 affinity. A preliminary high-throughput screening of over 900 anion-pillared MOFs was performed using rigid UFF+DDEC6 force fields to predict zero-loading heats of adsorption for CO 2 and H 2 O. SIFSIX-3-Cu was selected for further computational study due to its predicted CO 2 heat of adsorption and experimental relevance. A DeePMD-based MLFF was trained to reproduce DFT (PBE+D3) energies and forces, with an iterative sampling scheme combining molecular dynamics, geometry optimization, random geometric insertion, and NVT Monte Carlo-based configuration generation to capture both attractive and repulsive regions of the potential energy surface. Flexibility of the MOF was explicitly included, contrasting with previous models that approximated the MOF as rigid. Hybrid Monte Carlo/molecular dynamics (MC/MD) simulations with the MLFF produced CO 2 adsorption isotherms in good agreement with experimental data at direct air capture (DAC) pressures (e.g., 40 Pa), in contrast to previous overestimations of CO 2 sorption by models with rigid structures. Bond and angle histogram analysis showed that MOF flexibility increased the variance of fluorine–fluorine diagonal distances at adsorption sites, resulting in a lower predicted sorption for flexible, asymmetric SIFSIX-3-Cu pore geometries compared to the rigid, symmetric DFT-optimized SIFSIX-3-Cu pore geometry. A detailed description of flexibility afforded by the MLFF resulted in an accurately predicted CO 2 uptake (0.88 mmol/g) at low pressure (40 Pa) compared to the experimentally measured value (1.24 mmol/g). In conclusion, these results underscore the importance of including framework flexibility when modeling adsorption phenomena in MOFs, particularly for low-pressure applications.

adsorption↗

Geographical representation of radial orbit perturbations due to ocean tides: Implications for satellite altimetry

In analogy to the geographical representation of the zeroth-order radial orbit perturbations due to the static geopotential, similar relationships have been derived for radial orbit perturbations due to the ocean tides. At each location these perturbations are seen to be coherent with the tide height variations. The study of this singularity is of obvious importance to the estimation of ocean tides from satellite altimeter data. We derive analytical expressions for the sensitivity of altimeter derived ocean tide models to the ocean tide force model induced errors in the orbits of the altimeter satellite. In particular, we focus on characterizing and quantifying the nonresonant tidal orbit perturbations, which cannot be adjusted into the empirical accelerations or radial perturbation adjustments commonly used during orbit determination and in altimeter data processing. As an illustration of the utility of this technique, we study the differences between a TOPEX/POSEIDON-derived ocean tide model and the Cartwright and Ray 1991 Geosat model. This analysis shows that nearly 60% of the variance of this difference for M(sub 2) can be explained by the Geosat radial orbit eror due to the omission of coefficients from the GEM-T2 background ocean tide model. For O(sub 1), K(sub 1), S(sub 2), and K(sub 2) the orbital effects account for approximately 10 to 40% of the variances of these differences. The utility of this technique to assessment of the ocean tide induced errors in the TOPEX/POSEIDON-derived tide models is also discussed.

Bettadpur, Srinivas V.↗

Monitoring and Assessing Heat Vulnerability to Identify Locations for Heat Mitigation Efforts in Sarasota, Florida

Located in the coastal subtropical region, Florida’s Sarasota County receives plenty of sunlight for more than half of the year. However, the ongoing rise in summer temperatures attributed to climate change poses an increasing vulnerability to extreme heat for the residents. Moreover, the area's high relative humidity exacerbates the discomfort of high temperatures, thereby intensifying the severity of heat events and elevating the risks of heat-related illnesses. Our collaborations with Sarasota County Sustainability underscore shared concerns about the impact of urban heat island (UHI) on the community. We utilized Earth observation data from NASA Landsat 8 and Landsat 9’s Thermal Infrared Sensors (TIRS) and the International Space Station’s Ecosystem Spaceborne Thermal Radiometer Experiment on Space Station (ECOSTRESS) to model UHI effects within the county during the summer from 2019 to 2023. By implementing the open-source Integrated Valuation of Ecosystem Services and Tradeoffs (InVEST) Urban Cooling software model, ArcGIS ModelBuilder, and principal component analysis, we identified the land surface temperature variance within the county and areas that are least capable of mitigating the effects of UHI. In addition, we use socioeconomic and demographic data as indicators to quantify vulnerability at the census tract level. The results revealed that heat intensity varies significantly across Sarasota County, with the highest temperatures being in the more developed western part of the region. We pinpointed that at least three vulnerable communities reside in high-heat regions: North Sarasota, Venice, and North Port. These areas demonstrate a confluence between socioeconomic sensitivity and environmental hazard, indicating a high priority in future heat mitigation efforts.

Theresia Phoa↗

Hierarchical analysis of spatial pattern and processes of Douglas-fir forests

There has been an increased interest in the quantification of pattern in ecological systems over the past years. This interest is motivated by the desire to construct valid models which extend across many scales. Spatial methods must quantify pattern, discriminate types of pattern, and relate hierarchical phenomena across scales. Wavelet analysis is introduced as a method to identify spatial structure in ecological transect data. The main advantage of the wavelet transform over other methods is its ability to preserve and display hierarchical information while allowing for pattern decomposition. Two applications of wavelet analysis are illustrated, as a means to: (1) quantify known spatial patterns in Douglas-fir forests at several scales, and (2) construct spatially-explicit hypotheses regarding pattern generating mechanisms. Application of the wavelet variance, derived from the wavelet transform, is developed for forest ecosystem analysis to obtain additional insight into spatially-explicit data. Specifically, the resolution capabilities of the wavelet variance are compared to the semi-variogram and Fourier power spectra for the description of spatial data using a set of one-dimensional stationary and non-stationary processes. The wavelet cross-covariance function is derived from the wavelet transform and introduced as a alternative method for the analysis of multivariate spatial data of understory vegetation and canopy in Douglas-fir forests of the western Cascades of Oregon.

Bradshaw, G. A.↗

Comparison of asteroid and meteorite spectra - Classification by principal component analysis

The spectra of 103 meteorites and 411 asteroids have been statistically compared via principal component analysis, in order to arrive at an overview of spectral similarities between and among asteroids and meteorites; the result is a map of statistically defined relative spectral similarities measured by distance. There is much more spectral variance in the meteorites than in the asteroids. The analysis indicates no direct meteorite analogs from the outer-belt B, D, F, P, and T type asteroids, indicating that only a limited portion of the inner asteroid belt is sampled by meteorites.

Britt, Daniel T.↗

LLNS Request for Variance from 10 CFR 851 for Construction of LLNL Digital Infrastructure Capabilities Expansion Project

Lawrence Livermore National Security, LLC (LLNS) requests variance to 10 CFR 851 (the Rule) for the construction of the Digital Infrastructure Capabilities Expansion (DICE) project. The request isin continued support of the National Nuclear Security Administration (NNSA) “pilot” to streamline the delivery of commercial-like line-item construction projects under $50 million. This pilot is aligned with the approved NA-50 safety approach. Experience gained in the construction of the new Lawrence Livermore National Laboratory (LLNL) Emergency Operations Facility (EOC) under the variance granted in June 2020 is very encouraging. While detailed analysis will be forthcoming after that project is completed, there are strong indicators that a benefit has been realized by the subcontractors executing the work. The variance has permitted local/regional construction businesses contracted to Management & Operation contractor operated facilities and lower tier subcontractors to bid, operate, execute, and comply with safety and health standards they utilize in their business outside of the Department of Energy (DOE) Complex. While compliance to standards that are as safe and healthful as those in 10 CFR 851: confusion, additional cost, and inefficiencies associated with the burden of compliance to an unfamiliar regulatory spectrum has been avoided. Safety and health performance on the EOC construction project including the number of inspection and surveillance issues is comparable to other subcontractors and projects at LLNL executed under 10 CFR 851.

99 GENERAL AND MISCELLANEOUS↗

Anisotropy and minimum variance directions of solar wind fluctuations in the outer heliosphere

Voyager 2 magnetic field and plasma data are examined over time intervals of 1 to 12 hours in the heliospheric range of 1 to 10 AU to study the evolution of the anisotropy of solar wind fluctuations. Consistent with previous results, the directions of minimum variance vectors of magnetic fluctuations are found to be close to the mean magnetic field direction with an increasing component along the field at larger scales. At large radial distances there is more spread in the minimum variance directions than at smaller radial distances. The power in smaller-scale fluctuations in the magnetic field components perpendicular to the local mean field B(0) is in the ratio of about 5:1 near 1 AU at the scale of 1 hour but decreases to about 3:1 further out. No evidence for selective enhancement of out-of-the-ecliptic components of fluctuations is found. In contrast to results for field fluctuations, analysis of velocity fluctuations shows that the minimum variance direction systematically remains more radially oriented and becomes increasingly less oriented along B(0) with increasing heliocentric distance. The velocity fluctuations are generally more isotropic than the magnetic fluctuations. The observations cannot be explained by a superposed wave picture, and thus are consistent with the view that nonlinear turbulent evolution is responsible for the anisotropy in the fluctuations.

Klein, Larry W.↗