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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

A Proposed Extension to the Soil Moisture and Ocean Salinity Level 2 Algorithm for Mixed Forest and Moderate Vegetation Pixels

The Soil Moisture and Ocean Salinity (SMOS)mission, launched in November 2009, provides global maps of soil moisture and ocean salinity by measuring the L-band (1.4 GHz) emission of the Earth's surface with a spatial resolution of 40-50 km.Uncertainty in the retrieval of soilmoisture over large heterogeneous areas such as SMOS pixels is expected, due to the non-linearity of the relationship between soil moisture and the microwave emission. The current baseline soilmoisture retrieval algorithm adopted by SMOS and implemented in the SMOS Level 2 (SMOS L2) processor partially accounts for the sub-pixel heterogeneity of the land surface, by modelling the individual contributions of different pixel fractions to the overall pixel emission. This retrieval approach is tested in this study using airborne L-band data over an area the size of a SMOS pixel characterised by a mix Eucalypt forest and moderate vegetation types (grassland and crops),with the objective of assessing its ability to correct for the soil moisture retrieval error induced by the land surface heterogeneity. A preliminary analysis using a traditional uniform pixel retrieval approach shows that the sub-pixel heterogeneity of land cover type causes significant errors in soil moisture retrieval (7.7%v/v RMSE, 2%v/v bias) in pixels characterised by a significant amount of forest (40-60%). Although the retrieval approach adopted by SMOS partially reduces this error, it is affected by errors beyond the SMOS target accuracy, presenting in particular a strong dry bias when a fraction of the pixel is occupied by forest (4.1%v/v RMSE,-3.1%v/v bias). An extension to the SMOS approach is proposed that accounts for the heterogeneity of vegetation optical depth within the SMOS pixel. The proposed approach is shown to significantly reduce the error in retrieved soil moisture (2.8%v/v RMSE, -0.3%v/v bias) in pixels characterised by a critical amount of forest (40-60%), at the limited cost of only a crude estimate of the optical depth of the forested area (better than 35% uncertainty). This study makes use of an unprecedented data set of airborne L-band observations and ground supporting data from the National Airborne Field Experiment 2005 (NAFE'05), which allowed accurate characterisation of the land surface heterogeneity over an area equivalent in size to a SMOS pixel.

Panciera, Rocco↗
NASA NTRSDate not supplied

Uncertainty Estimation for SMAP Level-1 Brightness Temperature Assimilation at Different Timescales

In this study, we assimilate Soil Moisture Active Passive (SMAP) mission brightness temperature (Tb) observations into NASA’s Catchment Land Surface Model using an Ensemble Kalman filter to update surface and root-zone soil moisture simulations. Different time series components of the Tb observations are assimilated including anomalies, inter-annual variations, and high-frequency variations. To optimize the weights that the data assimilation (DA) puts on the observations, the ratio between the un-certainties of modeled and observed Tb is approximated using modeled and observed soil moisture uncertainties estimated using triple collocation analysis. Results are compared to a benchmark experiment that mimics the operational SMAP Level-4 algorithm, which assimilates Tb observations using a spatially-constant 4 Kelvin (K) observation uncertainty. All DA experiments exhibit notable skill improvements in most regions. Improvements are greatest for the inter-annual variations in the simulations of both surface and root-zone soil moisture (mean improvements in terms of Pearson correlation (-) are 0.08 and 0.06, respectively). Anomaly simulations improve similarly (0.07), and improvements in the high-frequency variations are only observed for sur-face soil moisture simulations (0.06). Strikingly, however, no notable difference in skill—neither improvement nor deterioration—is observed between the experiments that use optimized observation uncertainty parameters and the 4 K benchmark experiment. We show, analytically, that this may be explained by the presence of large observation operator errors, which have the potential to render post-update uncertainty insensitive to inaccuracies in the Kalman gain.

Alexander Gruber↗
NASA NTRSDate not supplied

Examination of L-Band Brightness Temperature Forecasts in the SMAP Level-4 Soil Moisture Analysis

The NASA Soil Moisture Active Passive (SMAP) mission [4] has been providing L-band (1.4 GHz) passive microwave brightness temperature (Tb) observations since April 2015. By assimilating the Tb observations into the NASA Catchment land surface model [5] using a spatially distributed ensemble Kalman filter, the NASA Global Modeling and Assimilation Office generates the SMAP Level-4 Soil Moisture (L4_SM) product, which provides global, 3-hourly, 9-km resolution estimates of surface (0-5 cm) and root-zone (0-100 cm) soil moisture with ~2.5-day latency for use in research and applications [6]. The L4_SM product also includes estimates of soil temperature, land surface fluxes, and assimilation diagnostics such as the model forecast and observed Tb values [7]. The output from the L4_SM system is routinely monitored by the L4_SM team. Such monitoring provides valuable information; instances of unusually large Tb observation-minus-forecast (O-F) residuals can indicate events during which soil moisture conditions are poorly described in the land modeling system [7,8]. For example, repeated occurrences of very large Tb O-F values in central Australia were traced back to deficiencies in the gauge-based precipitation product used in the land modeling system through L4_SM Version 5; this discovery prompted the use, beginning in Version 6, of satellite- and gauge-based precipitation observations outside of North America [9]. Recently, a statistical analysis of the Tb O-F residuals revealed systematic errors in the “tau-omega” L-band radiative transfer model that converts the land-model simulated soil moisture and temperature into the forecast Tb prior to the L4_SM analysis. The L4_SM analysis is built on the ensemble Kalman filter and assumes unbiased forecast errors. The presence of systematic Tb forecast errors could thus adversely impact the quality of the analyzed soil moisture. In this paper, we examine the Tb O-F residuals of the latest Version 7 L4_SM data (Science Version ID Vv7030 and Vv7032) [10,11,12]. In the L4_SM Version 7 algorithm, key parameters of the L-band radiative transfer model, including soil roughness, scattering albedo, and a (seasonally varying) climatology of vegetation opacity, are obtained from the SMAP Level-2 Radiometer retrieval product (Version 5) [1]. Additionally, we also use ground measurements of surface soil moisture and soil temperature from the SMAP core validation sites as in situ reference of soil conditions [2,3]. As part of the L4_SM system calibration, the seasonally-varying bias between the model forecast Tb and the observed values is removed prior to the assimilation of the SMAP Tb observations [7]. That is, the L4_SM system is designed to only correct errors in synoptic-scale and interannual variations from the long-term mean seasonal cycle while maintaining the model’s (potentially erroneous) climatology. The Tb O-F residuals examined here are thus computed using SMAP Tb observations after they are rescaled to the mean seasonal cycle of Tb from the modeling system without SMAP data assimilation. Consequently, the long-term average of the Tb O-F residuals has a global mean of only 0.13 K and locally small values, ranging from -1 to 3 K. Despite the small time-average values of the Tb O-F residuals, the model forecast Tb was nevertheless found to exhibit undesirable systematic errors. At some locations, the time-average Tb O-F values strongly depend on surface soil moisture (SM). At the Yanco SMAP core validation site, for example, the Tb O-F residuals typically range from 5 to 15 K under dry soil moisture conditions (SM < 0.15 m3 m-3) yet are predominantly negative under wet soil moisture conditions (SM > 0.25 m3 m-3), with values ranging from 0 to -40 K. This results in soil moisture analysis increments that persistently make the soil drier under dry SM conditions and persistently make the soil wetter under wet SM conditions, suggesting an error in the dynamic range of the simulated Tb, soil moisture or soil temperature. In this paper, we describe the higher-order systematic Tb forecast errors in more detail, examine their impact on the L4_SM product quality, and explore potential avenues to further improve the L4_SM algorithm.

Rolf Reichle↗
DOE OSTI2020

An Exploratory Approach Using Regression and Machine Learning in the Analysis of Mass Absorption Cross Section of Black Carbon Aerosols: Model Development and Evaluation

Mass absorption cross-section of black carbon (MAC BC ) describes the absorptive cross-section per unit mass of black carbon, and is, thus, an essential parameter to estimate the radiative forcing of black carbon. Many studies have sought to estimate MAC BC from a theoretical perspective, but these studies require the knowledge of a set of aerosol properties, which are difficult and/or labor-intensive to measure. We therefore investigate the ability of seven data analytical approaches (including different multivariate regressions, support vector machine, and neural networks) in predicting MAC BC for both ambient and biomass burning measurements. Our model utilizes multi-wavelength light absorption and scattering as well as the aerosol size distributions as input variables to predict MAC BC across different wavelengths. We assessed the applicability of the proposed approaches in estimating MAC BC using different statistical metrics (such as coefficient of determination (R 2 ), mean square error (MSE), fractional error, and fractional bias). Overall, the approaches used in this study can estimate MAC BC appropriately, but the prediction performance varies across approaches and atmospheric environments. Based on an uncertainty evaluation of our models and the empirical and theoretical approaches to predict MAC BC , we preliminarily put forth support vector machine (SVM) as a recommended data analytical technique for use. We provide an operational tool built with the approaches presented in this paper to facilitate this procedure for future users.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2020

Designing an Optimal Ensemble Strategy for GMAO S2S Forecast System

The NASA Global Modeling and Assimilation Office (GMAO) Sub-seasonal to Seasonal (S2S) prediction system is being readied for a major upgrade. An important factor in successful extended range forecasting is the definition of the ensemble. Our overall strategy is to run a relatively large ensemble of about 40 members up to 3 months (focusing on the sub-seasonal forecast problem), after which we sub-sample the ensemble, and continue the forecast with about 10 members (up to 12 months). Here we present the results of our testing of various ways to generate the initial perturbations and the validation of a stratified sampling approach for choosing the members of the smaller ensemble. For the initialization of the ensemble we propose a combination of lagged and burst initial conditions. To generate perturbations for the burst ensemble members we used scaled differences of pairs of analysis states (chosen randomly from the corresponding season) separated by 1-10 days. We consider perturbing separately the atmosphere and the ocean, or both. By varying the separation times between the analysis states, we are able to produce perturbations that resemble well-known modes of variability. Focusing on the ENSO SST indices, we found that all types of perturbations are important for the ensemble spread with, however, considerable differences in the timing of the impacts on spread for the atmospheric and oceanic perturbations.Our initial (larger) ensemble size was determined so as to maximize the skill of predicting some of the leading modes of boreal winter atmospheric modes (namely the NAO, PNA and AO). Since it is not feasible for us to run with the larger ensemble beyond about 3 months, we employ a stratified sampling procedure that identifies the emerging directions of error growth to subset the ensemble. By comparing the results from the stratified ensemble with that of the randomly sampled ensemble of the same size, we find that the former provides substantially better estimates the mean of the original large ensemble.

Borovikov, Anna↗
NASA NTRS2013

Trajectory Reconstruction and Uncertainty Analysis Using Mars Science Laboratory Pre-Flight Scale Model Aeroballistic Testing

As part of the Mars Science Laboratory (MSL) trajectory reconstruction effort at NASA Langley Research Center, free-flight aeroballistic experiments of instrumented MSL scale models was conducted at Aberdeen Proving Ground in Maryland. The models carried an inertial measurement unit (IMU) and a flush air data system (FADS) similar to the MSL Entry Atmospheric Data System (MEADS) that provided data types similar to those from the MSL entry. Multiple sources of redundant data were available, including tracking radar and on-board magnetometers. These experimental data enabled the testing and validation of the various tools and methodologies that will be used for MSL trajectory reconstruction. The aerodynamic parameters Mach number, angle of attack, and sideslip angle were estimated using minimum variance with a priori to combine the pressure data and pre-flight computational fluid dynamics (CFD) data. Both linear and non-linear pressure model terms were also estimated for each pressure transducer as a measure of the errors introduced by CFD and transducer calibration. Parameter uncertainties were estimated using a "consider parameters" approach.

Lugo, Rafael A.↗
DOE OSTI2024

A Novel Non‐Destructive Rapid Tool for Estimating Amino Acid Composition and Secondary Structures of Proteins in Solution

Abstract Amino‐acid protein composition plays an important role in biology, medicine, and nutrition. Here, a groundbreaking protein analysis technique that quickly estimates amino acid composition and secondary structure across various protein sizes, while maintaining their natural states is introduced and validated. This method combines multivariate statistics and the thermostable Raman interaction profiling (TRIP) technique, eliminating the need for complex preparations. In order to validate the approach, the Raman spectra are constructed of seven proteins of varying sizes by utilizing their amino acid frequencies and the Raman spectra of individual amino acids. These constructed spectra exhibit a close resemblance to the actual measured Raman spectra. Specific vibrational modes tied to free amino and carboxyl termini of the amino acids disappear as signals linked to secondary structures emerged under TRIP conditions. Furthermore, the technique is used inversely to successfully estimate amino acid compositions and secondary structures of unknown proteins across a range of sizes, achieving impressive accuracy ranging between 1.47% and 5.77% of root mean square errors (RMSE). These results extend the uses for TRIP beyond interaction profiling, to probe amino acid composition and structure.

Chemistry↗
NASA NTRS1978

On the determination and investigation of the terrestrial ionospheric refractive indices using GEOS-3/ATS-6 satellite-to-satellite tracking data

When the radio link between two satellites (GEOS-3/ATS-6) is intercepted by the earth's ionosphere and neutral atmosphere, a change in the Doppler frequency results. Travel through the atmosphere causes the Doppler phase to be advanced in the ionosphere's portion and retarded in the neutral portion of the atmosphere. Analysis of the shortening and lengthening of the phase of the Satellite-to-Satellite Tracking (SST) data that passed within 40-700 km above the earth's surface during its ATS-6 to GEOS-3 to ATS-6 path, caused by the atmosphere, results in refractivity versus height profiles. The SST Doppler data were used directly to adjust the GEOS-3 orbit. Perturbation from the Moon, Sun and a 15th order/degree earth gravity field were included in the orbit solution. This orbit was continued through the occultation period and a model ionosphere was estimated by a least-square adjustment of the Chapman ionosphere parameters from the SST data residuals. The refractivity profile obtained by this model ionosphere was compared to a refractivity profile obtained by a direct integral inversion of the SST data residuals. Systematic differences between the 2 methods were caused by orbital errors, which propagated into the solution. The SST data yielded refractive index profiles in a novel economical manner because no additional or special on-board equipment were required.

Liu, A. S.↗
NASA NTRS1996

Reducing On-Board Computer Propagation Errors Due to Omitted Geopotential Terms by Judicious Selection of Uploaded State Vector

Several future, and some current missions, use an on-board computer (OBC) force model that is very limited. The OBC geopotential force model typically includes only the J(2), J(3), J(4), C(2,2) and S(2,2) terms to model non-spherical Earth gravitational effects. The Tropical Rainfall Measuring Mission (TRMM), Wide-field Infrared Explorer (WIRE), Transition Region and Coronal Explorer (TRACE), Submillimeter Wave Astronomy Satellite (SWAS), and X-ray Timing Explorer (XTE) all plan to use this geopotential force model on-board. The Solar, Anomalous, and Magnetospheric Particle Explorer (SAMPEX) is already flying this geopotential force model. Past analysis has shown that one of the leading sources of error in the OBC propagated ephemeris is the omission of the higher order geopotential terms. However, these same analyses have shown a wide range of accuracies for the OBC ephemerides. Analysis was performed using EUVE state vectors that showed the EUVE four day OBC propagated ephemerides varied in accuracy from 200 m. to 45 km. depending on the initial vector used to start the propagation. The vectors used in the study were from a single EUVE orbit at one minute intervals in the ephemeris. Since each vector propagated practically the same path as the others, the differences seen had to be due to differences in the inital state vector only. An algorithm was developed that will optimize the epoch of the uploaded state vector. Proper selection can reduce the previous errors of anywhere from 200 m. to 45 km. to generally less than one km. over four days of propagation. This would enable flight projects to minimize state vector uploads to the spacecraft. Additionally, this method is superior to other methods in that no additional orbit estimates need be done. The definitive ephemeris generated on the ground can be used as long as the proper epoch is chosen. This algorithm can be easily coded in software that would pick the epoch within a specified time range that would minimize the OBC propagation error. This techniques should greatly improve the accuracy of the OBC propagation on-board future spacecraft such as TRMM, WIRE, SWAS, and XTE without increasing complexity in the ground processing.

Greatorex, Scott↗
NASA NTRS2007

Recent Theoretical Advances in Analysis of AIRS/AMSU Sounding Data

AIRS was launched on EOS Aqua on May 4,2002, together with AMSU-A and HSB, to form a next generation polar orbiting infrared and microwave atmospheric sounding system. This paper describes the AIRS Science Team Version 5.0 retrieval algorithm. Starting in early 2007, the Goddard DAAC will use this algorithm to analyze near real time AIRS/AMSU observations. These products are then made available to the scientific community for research purposes. The products include twice daily measurements of the Earth's three dimensional global temperature, water vapor, and ozone distribution as well as cloud cover. In addition, accurate twice daily measurements of the earth's land and ocean temperatures are derived and reported. Scientists use this important set of observations for two major applications. They provide important information for climate studies of global and regional variability and trends of different aspects of the earth's atmosphere. They also provide information for researchers to improve the skill of weather forecasting. A very important new product of the AIRS Version 5 algorithm is accurate case-by-case error estimates of the retrieved products. This heightens their utility for use in both weather and climate applications. These error estimates are also used directly for quality control of the retrieved products. Version 5 also allows for accurate quality controlled AIRS only retrievals, called "Version 5 AO retrievals" which can be used as a backup methodology if AMSU fails. Examples of the accuracy of error estimates and quality controlled retrieval products of the AIRS/AMSU Version 5 and Version 5 AO algorithms are given, and shown to be significantly better than the previously used Version 4 algorithm. Assimilation of Version 5 retrievals are also shown to significantly improve forecast skill, especially when the case-by-case error estimates are utilized in the data assimilation process.

Susskind, Joel↗
DOE OSTI2024

Using spatio-temporal graph neural networks to estimate fleet-wide photovoltaic performance degradation patterns

Accurate estimation of photovoltaic (PV) system performance is crucial for determining its feasibility as a power generation technology and financial asset. PV-based energy solutions offer a viable alternative to traditional energy resources due to their superior Levelized Cost of Energy (LCOE). A significant challenge in assessing the LCOE of PV systems lies in understanding the Performance Loss Rate (PLR) for large fleets of PV systems. Estimating the PLR of PV systems becomes increasingly important in the rapidly growing PV industry. Precise PLR estimation benefits PV users by providing real-time monitoring of PV module performance, while explainable PLR estimation assists PV manufacturers in studying and enhancing the performance of their products. However, traditional PLR estimation methods based on statistical models have notable drawbacks. Firstly, they require user knowledge and decision-making. Secondly, they fail to leverage spatial coherence for fleet-level analysis. Additionally, these methods inherently assume the linearity of degradation, which is not representative of real world degradation. To overcome these challenges, we propose a novel graph deep learning-based decomposition method called the Spatio-Temporal Graph Neural Network for fleet-level PLR estimation (PV-stGNN-PLR). PV-stGNN-PLR decomposes the power timeseries data into aging and fluctuation components, utilizing the aging component to estimate PLR. PV-stGNN-PLR exploits spatial and temporal coherence to derive PLR estimation for all systems in a fleet and imposes flatness and smoothness regularization in loss function to ensure the successful disentanglement between aging and fluctuation. We have evaluated PV-stGNN-PLR on three simulated PV datasets consisting of 100 inverters from 5 sites. Experimental results show that PV-stGNN-PLR obtains a reduction of 33.9% and 35.1% on average in Mean Absolute Percent Error (MAPE) and Euclidean Distance (ED) in PLR degradation pattern estimation compared to the state-of-the-art PLR estimation methods.

14 SOLAR ENERGY↗
NASA NTRS1985

Least squares collocation applied to local gravimetric solutions from satellite gravity gradiometry data

An autonomous spaceborne gravity gradiometer mission is being considered as a post Geopotential Research Mission project. The introduction of satellite diometry data to geodesy is expected to improve solid earth gravity models. The possibility of utilizing gradiometer data for the determination of pertinent gravimetric quantities on a local basis is explored. The analytical technique of least squares collocation is investigated for its usefulness in local solutions of this type. It is assumed, in the error analysis, that the vertical gravity gradient component of the gradient tensor is used as the raw data signal from which the corresponding reference gradients are removed to create the centered observations required in the collocation solution. The reference gradients are computed from a high degree and order geopotential model. The solution can be made in terms of mean or point gravity anomalies, height anomalies, or other useful gravimetric quantities depending on the choice of covariance types. Selected for this study were 30 x 30 foot mean gravity and height anomalies. Existing software and new software are utilized to implement the collocation technique. It was determined that satellite gradiometry data at an altitude of 200 km can be used successfully for the determination of 30 x 30 foot mean gravity anomalies to an accuracy of 9.2 mgal from this algorithm. It is shown that the resulting accuracy estimates are sensitive to gravity model coefficient uncertainties, data reduction assumptions and satellite mission parameters.

Robbins, J. W.↗
NASA NTRS2003

Navigation Guidelines for Orbital Formation Flying Missions

Some simple guidelines based on the accuracy in determining a satellite formation's semi-major axis differences are useful in making preliminary assessments of the navigation accuracy needed to support such missions. These guidelines are valid for any elliptical orbit, regardless of eccentricity. Although maneuvers required for formation establishment, reconfiguration, and station-keeping require accurate prediction of the state estimate to the maneuver time, and hence are directly affected by errors in all the orbital elements, experience has shown that determination of orbit plane orientation and orbit shape to acceptable levels is less challenging than the determination of orbital period or semi-major axis. Furthermore, any differences among the member's semi-major axis are undesirable for a satellite formation, since it will lead to differential along-track drift due to period differences. Since inevitable navigation errors prevent these differences from ever being zero, one may use the guidelines this paper presents to determine how much drift will result from a given relative navigation accuracy, or vice versa. Since the guidelines do not account for non-two-body perturbations, they may be viewed as useful preliminary design tools, rather than as the basis for mission navigation requirements, which should be based on detailed analysis of the mission configuration, including all relevant sources of uncertainty.

Carpenter, J. Russell↗
NASA NTRS2010

Improved Determination of Surface and Atmospheric Temperatures Using Only Shortwave AIRS Channels: The AIRS Version 6 Retrieval Algorithm

AIRS was launched on EOS Aqua on May 4, 2002 together with ASMU-A and HSB to form a next generation polar orbiting infrared and microwave atmosphere sounding system (Pagano et al 2003). The theoretical approach used to analyze AIRS/AMSU/HSB data in the presence of clouds in the AIRS Science Team Version 3 at-launch algorithm, and that used in the Version 4 post-launch algorithm, have been published previously. Significant theoretical and practical improvements have been made in the analysis of AIRS/AMSU data since the Version 4 algorithm. Most of these have already been incorporated in the AIRS Science Team Version 5 algorithm (Susskind et al 2010), now being used operationally at the Goddard DISC. The AIRS Version 5 retrieval algorithm contains three significant improvements over Version 4. Improved physics in Version 5 allowed for use of AIRS clear column radiances (R(sub i)) in the entire 4.3 micron CO2 absorption band in the retrieval of temperature profiles T(p) during both day and night. Tropospheric sounding 15 micron CO2 observations were used primarily in the generation of clear column radiances (R(sub i)) for all channels. This new approach allowed for the generation of accurate Quality Controlled values of R(sub i) and T(p) under more stressing cloud conditions. Secondly, Version 5 contained a new methodology to provide accurate case-by-case error estimates for retrieved geophysical parameters and for channel-by-channel clear column radiances. Thresholds of these error estimates are used in a new approach for Quality Control. Finally, Version 5 contained for the first time an approach to provide AIRS soundings in partially cloudy conditions that does not require use of any microwave data. This new AIRS Only sounding methodology was developed as a backup to AIRS Version 5 should the AMSU-A instrument fail. Susskind et al 2010 shows that Version 5 AIRS Only sounding are only slightly degraded from the AIRS/AMSU soundings, even at large fractional cloud cover.

Susskind, Joel↗
DOE OSTI2021

Time-temperature-superposition analysis of diverse datasets by the minimum-arclength method: long-term prediction with uncertainty margins

In a recent publication, we carried out an extensive analysis of an unsupervised method of determining optimum shift factors in time-temperature-superposition of accelerated-aging data that involves minimizing the vertical arclength to obtain the master curve. For synthetic Arrhenius data with a variety of noise distributions, the work showed that, in conjunction with bootstrap-resampling, the method can produce reliable estimates of the mean activation energy along with uncertainty quantification. Here, we apply the above method to six different datasets taken from the published literature and demonstrate accurate prediction of mean activation energy from the data as-is without the need for any pre-processing or fitting. We also compare uncertainty margins computed by second-order bootstrap with that by linear regression theory and show that the former appears to provide consistent margins in the presence of common noise types in real data, including intra-isotherm measurement-errors, sample-to-sample variations, and intrinsic deviation from perfect Arrhenius behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparing correlation components and approximations in Hartree–Fock and Kohn–Sham theories via an analytical test case study

The asymmetric Hubbard dimer is a model that allows for explicit expressions of the Hartree–Fock (HF) and Kohn–Sham (KS) states as analytical functions of the external potential, Δv, and of the interaction strength, U. We use this unique circumstance to establish a rigorous comparison between the individual contributions to the correlation energies stemming from the two theories in the {U, Δv} parameter space. Within this analysis of the Hubbard dimer, we observe a change in the sign of the HF kinetic correlation energy, compare the indirect repulsion energies, and derive an expression for the “traditional” correlation energy, i.e., the one that corrects the HF estimate, in a pure site-occupation function theory spirit [Eq. (45)]. Next, we test the performances of the Liu–Burke and the Seidl–Perdew–Levy functionals, which model the correlation energy based on its weak- and strong-interaction limit expansions and can be used for both the traditional and the KS correlation energies. Further, our results show that, in the Hubbard dimer setting, they typically work better for the HF reference, despite having been originally devised for KS. These conclusions are somewhat in line with prior assessments of these functionals on various chemical datasets. However, the Hubbard dimer model allows us to show the extent of the error that may occur in using the strong-interaction ingredient for the KS reference in place of the one for the HF reference, as has been carried out in most of the prior assessments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Data-Driven Digital Twin for Reliability Assessment of DC/DC Buck Converter

In commercial applications, the operation of DC/DC converters significantly impacts overall system performance and long-term reliability. This study introduces a data-driven digital twin (DT) approach for estimating critical degradation parameters of DC/DC BUCK converter under steady-state condition. Initially, a circuit-level MATLAB/Simulink digital model (DM C ) is refined against a hardware prototype’s switching model dataset using offline particle swarm optimization. The optimized digital model’s steady-state response is then verified with its average model response while varying the duty and load. Subsequently, degradation profiles are imposed on the inductor, capacitor, MOSFET in the DMC. A large dataset is generated from this model, allowing training, validation, and testing of machine learning (ML) models for component health regression tasks. The proposed method employs random forest ML models, achieving impressive regression results with a squared R value as high as 0.99978 and a root mean square error of 4.2× 10 –6 . The method is further validated on a medium power level DC/DC BUCK prototype with varying load conditions, and includes the analysis of MOSFET’s on-resistance under degradation conditions. This data-driven DT method shows promise for identifying parasitic degradation and ohmic loss parameters, enhancing converter reliability assessments in a non-invasive, generalized, and computationally efficient manner.

14 SOLAR ENERGY↗
NASA NTRS2003

Testing the Equivalence Principle in an Einstein Elevator: Detector Dynamics and Gravity Perturbations

We discuss specific, recent advances in the analysis of an experiment to test the Equivalence Principle (EP) in free fall. A differential accelerometer detector with two proof masses of different materials free falls inside an evacuated capsule previously released from a stratospheric balloon. The detector spins slowly about its horizontal axis during the fall. An EP violation signal (if present) will manifest itself at the rotational frequency of the detector. The detector operates in a quiet environment as it slowly moves with respect to the co-moving capsule. There are, however, gravitational and dynamical noise contributions that need to be evaluated in order to define key requirements for this experiment. Specifically, higher-order mass moments of the capsule contribute errors to the differential acceleration output with components at the spin frequency which need to be minimized. The dynamics of the free falling detector (in its present design) has been simulated in order to estimate the tolerable errors at release which, in turn, define the release mechanism requirements. Moreover, the study of the higher-order mass moments for a worst-case position of the detector package relative to the cryostat has led to the definition of requirements on the shape and size of the proof masses.

Hubbard, Dorthy↗