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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 325 records · Page 18

Forces from Stochastic Density Functional Theory under Nonorthogonal Atom-Centered Basis Sets

We develop a formalism for calculating forces on the nuclei within the linear-scaling stochastic density functional theory (sDFT) in a nonorthogonal atom-centered basis set representation (Fabian et al. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2019, 9, e1412, 10.1002/wcms.1412) and apply it to the Tryptophan Zipper 2 (Trp-zip2) peptide solvated in water. We use an embedded-fragment approach to reduce the statistical errors (fluctuation and systematic bias), where the entire peptide is the main fragment and the remaining 425 water molecules are grouped into small fragments. We analyze the magnitude of the statistical errors in the forces and find that the systematic bias is of the order of 0.065 eV/Å (~1.2 × 10 -3 E h / a 0 ) when 120 stochastic orbitals are used, independently of system size. This magnitude of bias is sufficiently small to ensure that the bond lengths estimated by stochastic DFT (within a Langevin molecular dynamics simulation) will deviate by less than 1% from those predicted by a deterministic calculation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Standardising the “Gregory method” for calculating equilibrium climate sensitivity

The equilibrium climate sensitivity (ECS) – the equilibrium global mean temperature response to a doubling of atmospheric CO 2 – is a high-profile metric for quantifying the Earth system's response to human-induced climate change. A widely applied approach to estimating the ECS is the “Gregory method” (Gregory et al., 2004), which uses an ordinary least squares (OLS) regression between the net radiative flux, N, and surface air temperature anomalies, ΔT, from a 150 year experiment in which atmospheric CO 2 concentrations are quadrupled. The ECS is determined by extrapolating the linear fit to N=0, i.e. the ΔT-intercept, indicating the point at which the system is back in equilibrium. This method has been used to compare ECS estimates across the CMIP5 and CMIP6 ensembles and will likely be a key diagnostic for CMIP7. Despite its widespread application, there is little consistency or transparency between studies in how the climate model data is processed prior to the regression, leading to potential discrepancies in ECS estimates. We identify 32 alternative data processing pathways, varying by differences in global mean weighting, net radiative flux variable, anomaly calculation method, and linear regression fit. Using 44 CMIP6 models, we systematically assess the impact of these choices on ECS estimates and calculate uncertainty ranges using two bootstrap approaches. While the inter-model ECS range is insensitive to the data processing pathway, individual outlier models exhibit notable differences. Approximating a model's native grid cell area (if irregular) with cosine of the latitude can decrease the ECS by 11 %, the choice of N-variable can change the ECS by 6 %, and some anomaly calculation methods can introduce spurious temporal correlations in the processed data. Beyond data processing choices, we also evaluate an alternative linear regression method – total least squares (TLS) – which has a more statistically robust basis than OLS. However, for consistency with previous literature, and given TLS may reduce the ECS compared to OLS (by up to 24 %), thereby making a known bias in the Gregory method worse, we do not feel there is sufficient clarity to recommend a transition to TLS in all cases. To improve reproducibility and comparability in future studies, we recommend a standardised Gregory method: weighting the global mean by cell area, using the top of the atmosphere (as opposed to the top of model) N-variable, and calculating anomalies by first applying a rolling average to the preindustrial control timeseries then subtracting from the raw CO 2 quadrupling experiment. This approach accounts for model drift while reducing noise in the data to best meet the pre-conditions of the linear regression. While CMIP6 results of the multi-model mean ECS appear insensitive to these processing choices, similar assumptions may not hold for CMIP7, underscoring the need for standardised data preparation in future climate sensitivity assessments.

Geosciences↗

Deconvolute individual genomes from metagenome sequences through short read clustering

Metagenome assembly from short next-generation sequencing data is a challenging process due to its large scale and computational complexity. Clustering short reads by species before assembly offers a unique opportunity for parallel downstream assembly of genomes with individualized optimization. However, current read clustering methods suffer either false negative (under-clustering) or false positive (over-clustering) problems. Here we extended our previous read clustering software, SpaRC, by exploiting statistics derived from multiple samples in a dataset to reduce the under-clustering problem. Using synthetic and real-world datasets we demonstrated that this method has the potential to cluster almost all of the short reads from genomes with sufficient sequencing coverage. The improved read clustering in turn leads to improved downstream genome assembly quality.

59 BASIC BIOLOGICAL SCIENCES↗

Wind speed statistics for Goldstone, California, anemometer sites

An exploratory wind survey at an antenna complex was summarized statistically for application to future windmill designs. Data were collected at six locations from a total of 10 anemometers. Statistics include means, standard deviations, cubes, pattern factors, correlation coefficients, and exponents for power law profile of wind speed. Curves presented include: mean monthly wind speeds, moving averages, and diurnal variation patterns. It is concluded that three of the locations have sufficiently strong winds to justify consideration for windmill sites.

Berg, M.↗

Estimation Filter for Alignment of the Spitzer Space Telescope

A document presents a summary of an onboard estimation algorithm now being used to calibrate the alignment of the Spitzer Space Telescope (formerly known as the Space Infrared Telescope Facility). The algorithm, denoted the S2P calibration filter, recursively generates estimates of the alignment angles between a telescope reference frame and a star-tracker reference frame. At several discrete times during the day, the filter accepts, as input, attitude estimates from the star tracker and observations taken by the Pointing Control Reference Sensor (a sensor in the field of view of the telescope). The output of the filter is a calibrated quaternion that represents the best current mean-square estimate of the alignment angles between the telescope and the star tracker. The S2P calibration filter incorporates a Kalman filter that tracks six states - two for each of three orthogonal coordinate axes. Although, in principle, one state per axis is sufficient, the use of two states per axis makes it possible to model both short- and long-term behaviors. Specifically, the filter properly models transient learning, characteristic times and bounds of thermomechanical drift, and long-term steady-state statistics, whether calibration measurements are taken frequently or infrequently. These properties ensure that the S2P filter performance is optimal over a broad range of flight conditions, and can be confidently run autonomously over several years of in-flight operation without human intervention.

Bayard, David↗

A Survey of Logic Formalisms to Support Mishap Analysis

Mishap investigations provide important information about adverse events and near miss incidents. They are intended to help avoid any recurrence of previous failures. Over time, they can also yield statistical information about incident frequencies that helps to detect patterns of failure and can validate risk assessments. However, the increasing complexity of many safety critical systems is posing new challenges for mishap analysis. Similarly, the recognition that many failures have complex, systemic causes has helped to widen the scope of many mishap investigations. These two factors have combined to pose new challenges for the analysis of adverse events. A new generation of formal and semi-formal techniques have been proposed to help investigators address these problems. We introduce the term mishap logics to collectively describe these notations that might be applied to support the analysis of mishaps. The proponents of these notations have argued that they can be used to formally prove that certain events created the necessary and sufficient causes for a mishap to occur. These proofs can be used to reduce the bias that is often perceived to effect the interpretation of adverse events. Others have argued that one cannot use logic formalisms to prove causes in the same way that one might prove propositions or theorems. Such mechanisms cannot accurately capture the wealth of inductive, deductive and statistical forms of inference that investigators must use in their analysis of adverse events. This paper provides an overview of these mishap logics. It also identifies several additional classes of logic that might also be used to support mishap analysis.

Johnson, Chris↗

Scaling Theory of Neutral Sequence-Specific Polyampholytes

The primary sequence of charged monomers in a polyampholyte has a profound effect on its conformational properties. In this work, theory and simulations are used to predict how the sequence influences the single-chain behavior of globally neutral polyampholytes (PAs) under salt-free conditions. We consider PAs with Markov statistics of charges, where charge “blockiness” is defined by the correlation λ along the chain. These PAs cover a wide spectrum of primary sequences ranging from alternating (λ = –1) to ideally random (λ = 0) to diblock (λ → 1). In a theta solvent, sufficiently long PAs of any primary sequence form globules, but their internal structure, as well as the position and sharpness of the coil–globule transition, crucially depends on λ. Further, using scaling arguments, we demonstrate that the excess charge of the globule correlation volume (blob) increases with increasing λ, thereby inducing stronger Coulomb attractions between neighboring blobs of opposite charge and leading to higher density PA globules. Scaling predictions are supported by the results of the random phase approximation (RPA) and coarse-grained molecular dynamics simulations. A generalization to good and poor solvents is presented that enables the construction of the resulting scaling diagram of PA conformations in terms of solvent quality and charge blockiness, thereby providing a comprehensive molecular understanding of the role of the PA primary sequence in the chain structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enriching Load Data Using Micro-PMUs and Smart Meters

In modern distribution systems, load uncertainty can be fully captured by micro-PMUs, which can record high-resolution data; however, in practice, micro-PMUs are installed at limited locations in distribution networks due to budgetary constraints. In contrast, smart meters are widely deployed but can only measure relatively low-resolution energy consumption, which cannot sufficiently reflect the actual instantaneous load volatility within each sampling interval. In this paper, we have proposed a novel approach for enriching load data for service transformers that only have low-resolution smart meters. The key to our approach is to statistically recover the high-resolution load data, which is masked by the low-resolution data, using trained probabilistic models of service transformers that have both high- and low-resolution data sources, i.e., micro-PMUs and smart meters. The overall framework consists of two steps: first, for the transformers with micro-PMUs, a Gaussian Process is leveraged to capture the relationship between the maximum/minimum load and average load within each low-resolution sampling interval of smart meters; a Markov chain model is employed to characterize the transition probability of known high-resolution load. Next, the trained models are used as teachers for the transformers with only smart meters to decompose known low-resolution load data into targeted high-resolution load data. The enriched data can recover instantaneous load uncertainty and significantly enhance distribution system observability and situational awareness. Here, we have verified the proposed approach using real high- and low-resolution load data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Optimization of the deep neural network parameters for generating homogenized fuel assembly data for nodal codes

Homogenized fuel assembly (FA) data is a typical input data for nodal codes. Generating that data, however, could be time-consuming. One of promising ways to mitigate the computational burden of generating macroscopic cross-sections is to use trained artificial neural network (ANN) models for predicting nuclear data. However, there is a challenge to make the model support variable FA geometry. In this work, two most common types of FA were combined in one ANN model. Since there could be multiple ways of converting 2-dimensional FA data into 1-dimensional input vector for ANN, three different approaches of data flattening were evaluated. The input parameters included each fuel pin enrichment, fuel temperature, moderator temperature and boron concentration. The output parameters were 2-group macroscopic cross-sections (XS) and pin power distribution (HFF). A fully connected deep neural network (DNN) model was trained and tested using pre-generated data obtained with lattice physics code STREAM. The results of this study showed no statistically significant difference in the accuracy of XS and HFF generation for all 3 tested input vector orders. This means that fully connected DNN for XS generation demonstrated input sequence invariance. Results of comparing predicted XS data with reference solutions were found sufficiently close considering the reduction of computation time offered by ANN. Mean relative difference (MRD) for all output XS parameters was found below 0.7%, while HFF MRD was found higher compared to XS values, in some cases slightly exceeding 1%, mostly near guide tube locations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Computation of spare parts requirements

Statistical analysis determines probability of failure for N-1 spares. Analysis can help reduce downtime in industrial processes by determining number of spare parts that must be stockpiled. Analysis can also be inverted to decide if number of spares on hand is sufficient for lifetime needs of system.

Mezzacappa, M. A.↗

TPSAS-NF1676L-30397-DND

Arctic low clouds strongly affect the Arctic surface energy budget, and through this impact influence rest of the Arctic climate system: namely surface and atmospheric temperature, sea ice extent and thickness, and the atmospheric circulation. Arctic clouds are in turn influenced by the Arctic climate system creating the potential for cloud-climate feedbacks. We quantify the influence of atmospheric state on the surface cloud radiative effect (CRE) and the covariability between surface CRE and sea ice concentration (SIC) using instantaneous, active remote sensing satellite footprint data from the NASA A-Train. First, the results indicate significant differences in the surface CRE when stratified by atmospheric state. Second, a statistically insignificant covariability is found between CRE and SIC for most atmospheric regimes. Third, we find a statistically significant increase in the surface longwave CRE at with decreased SIC in fall. Specifically, a +3-5 W m 2 larger longwave CRE is found over footprints with 0% versus 100% SIC. Because systematic changes of 1 W m 2 are sufficient to explain the observed reductions in Arctic sea ice, our results (1) indicate a potentially significant amplifying sea ice-cloud feedback that could delay fall freeze-up influencing sea ice variability under certain atmospheric conditions and (2) suggest that a small change in the frequency of atmosphere states may yield a larger Arctic cloud feedback than any cloud response to sea ice.

Patrick Taylor↗

TPSAS-NF1676L-30631-DND

Arctic low clouds strongly affect the Arctic surface energy budget, and through this impact influence rest of the Arctic climate system: namely surface and atmospheric temperature, sea ice extent and thickness, and the atmospheric circulation. Arctic clouds are in turn influenced by the Arctic climate system creating the potential for cloud-climate feedbacks. We quantify the influence of atmospheric state on the surface cloud radiative effect (CRE) and the covariability between surface CRE and sea ice concentration (SIC) using instantaneous, active remote sensing satellite footprint data from the NASA A-Train. First, the results indicate significant differences in the surface CRE when stratified by atmospheric state. Second, a statistically insignificant covariability is found between CRE and SIC for most atmospheric regimes. Third, we find a statistically significant increase in the surface longwave CRE at with decreased SIC in fall. Specifically, a +3-5 W m^-2 larger longwave CRE is found over footprints with 0% versus 100% SIC. Because systematic changes of 1 W m^-2 are sufficient to explain the observed reductions in Arctic sea ice, our results (1) indicate a potentially significant amplifying sea ice-cloud feedback that could delay fall freeze-up influencing sea ice variability under certain atmospheric conditions and (2) suggest that a small change in the frequency of atmosphere states may yield a larger Arctic cloud feedback than any cloud response to sea ice.

Patrick Taylor↗

Pulsar statistics and their interpretations

It is shown that a lack of knowledge concerning interstellar electron density, the true spatial distribution of pulsars, the radio luminosity source distribution of pulsars, the real ages and real aging rates of pulsars, the beaming factor (and other unknown factors causing the known sample of about 350 pulsars to be incomplete to an unknown degree) is sufficient to cause a minimum uncertainty of a factor of 20 in any attempt to determine pulsar birth or death rates in the Galaxy. It is suggested that this uncertainty must impact on suggestions that the pulsar rates can be used to constrain possible scenarios for neutron star formation and stellar evolution in general.

Arnett, W. D.↗

The Solid Rocket Motor Slag Population: Results of a Radar-Based Regressive Statistical Evaluation

Solid rocket motor (SRM) slag has been identified as a potential source of man-made orbital debris. The possibility that SRMs (in addition to generating dust particles in the sub-millimeter range) may generate particles up to centimeters in size has caused concern regarding their contribution to the debris environment. Returned surfaces from space do not have sufficient area or exposure time to provide a clear picture of the SRM millimeter and centimeter debris population. Currently, radar observation is probably the only way to collect data showing the debris contribution from SRMs. Such observation is used to sample the debris environment, but it is difficult to obtain accurate orbital elements for the detected debris objects. NASA has developed several models to describe the different orbital debris populations, based on assumed debris production mechanisms to create clouds of debris objects that can be propagated in time. The NASA model, LEGEND (LEO-to-GEO Environment Debris), functions as a time-tested debris model for most debris sources. However, the current LEGEND model does not include contributions from the SRM population. An SRM model has recently been developed by NASA, based on purely theoretical details of SRM production and known SRM launches, but verification with hard data is needed. Because the detections of individual SRM objects cannot be deterministically separated from the total debris observed by radar, the validation of the SRM model can only be done by combining it with the LEGEND breakup model and comparing it with data. By applying observational constraints, the degree of SRM slag contribution to the environment may be estimated. This serves as an observationally sound method from which to calibrate a purely theoretical model into something more realistic. For this study, we use the populations observed by the Haystack radar from 1996 to present. For the SRM debris, we use a historical database of SRM launches, propellant masses, and estimated locations and times of tailoff to produce and propagate the SRM debris clouds. Comparisons with radar data from the ensuing years were made, and the SRM model was altered with respect to size and mass production of slag particles to reflect the populations estimated from the data. The result is a model SRM population that fits within the bounds of the observed environment and estimates of the production and contribution of SRM debris to the environment.

Horstman, Matthew F.↗

On the lower mass limit for the carbon detonation scenario

The lower mass limit for carbon detonation (about 4 solar masses) is due to an argument by Paczynski (1970) that stars in the range between 1.4 and 3.5 solar masses will lose their envelopes prior to carbon detonation. This argument is based on two criteria for mass loss: (1) the envelope is unstable to adiabatic oscillations, and (2) the total energy of the envelope is positive. Recent hydrodynamic calculations of red-giant envelopes have shown that the envelopes are highly nonadiabatic and that the second criterion is not a sufficient condition for mass loss. Thus, a calculation which takes into account the nonadiabatic nature of the envelope is required in order to determine the lower mass limit for carbon detonation. This lower mass limit is directly related to the formation mechanisms and statistics of supernovae and pulsars.

Endal, A. S.↗

Analysis of turbofan propulsion system weight and dimensions

Weight and dimensional relationships that are used in aircraft preliminary design studies are analyzed. These relationships are relatively simple to prove useful to the preliminary designer, but they are sufficiently detailed to provide meaningful design tradeoffs. All weight and dimensional relationships are developed from data bases of existing and conceptual turbofan engines. The total propulsion system is considered including both engine and nacelle, and all estimating relations stem from physical principles, not statistical correlations.

Waters, M. H.↗

Discrete ordinates solutions of nongray radiative transfer with diffusely reflecting walls

Nongray gas radiation in a plane parallel slab bounded by gray, diffusely reflecting walls is studied using the discrete ordinates method. The spectral equation of transfer is averaged over a narrow wavenumber interval preserving the spectral correlation effect. The governing equations are derived by considering the history of multiple reflections between two reflecting wails. A closure approximation is applied so that only a finite number of reflections have to be explicitly included. The closure solutions express the physics of the problem to a very high degree and show relatively little error. Numerical solutions are obtained by applying a statistical narrow-band model for gas properties and a discrete ordinates code. The net radiative wail heat fluxes and the radiative source distributions are obtained for different temperature profiles. A zeroth-degree formulation, where no wall reflection is handled explicitly, is sufficient to predict the radiative transfer accurately for most cases considered, when compared with increasingly accurate solutions based on explicitly tracing a larger number of wail reflections without any closure approximation applied.

Menart, J. A.↗

Timing Noise in SGR 1806-20

We have phase connected a sequence of Rossi X-ray Timing Explorer Proportional Counter Array observations of SGR 1806-20 covering 178 days. We find a simple secular spin-down model does not adequately fit the data. The period derivative varies gradually during the observations between 8.1 and 11.7 x 10(exp -11) s/s (approx. 40% larger than the long term trend), while the average burst rate as seen with the Burst and Transient Source Experiment drops throughout the time interval. The phase residuals show no evidence for periodicity, but more closely resemble timing noise as seen ill radio pulsars. The magnitude of the timing noise., however, is large relative to the noise level typically found in radio pulsars (Delta(sub 8) = 4.8; frequency derivative average power approx. = 8 X 10(exp -20) Hz/sq s). Combined with the noise levels measured for some AXPs. we find all magnetar candidates have A8 values larger than those expected from a simple extrapolation of the correlation found in radio pulsars. We find the timing noise ill SGR 1806-20 is greater than or equal to the levels found in some accreting systems (e.g., Vela X-1, 4U 1538-52 and 4U 1626-67). Alternatively, an orbital model with a period P(sub orb) = 733 days provides a statistically acceptable fit to the data. If the phase residuals are created by Doppler shifts from a gravitationally bound companion. then the allowed parameter space for the mass function (small) and orbital separation (large) rule out the possibility of accretion from the companion sufficient to power the persistent emission from the SGR.

Woods, Peter M.↗