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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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Hybrid data-driven and model-informed online tool wear detection in milling machines

Precision machining tool wear is responsible for low product throughput and quality. Monitoring the tool wear online is vital to prevent degradation in machining quality. However, direct real-time tool wear measurement is not practical. This paper presents residual-based anomaly detection models, combining a hybrid model comprised of a physics-based model and a data-driven model (a decision tree or a neural network) to predict signals of interest (e.g., power or forces) under nominal conditions, followed by Page’s cumulative sum test for detecting tool wear on-line using the computer numerical control machine measurements. The most informative features are ranked using dynamic programming and its approximation variants from real-time measurements and machine settings, such as the width of cut, depth of cut, feed rate and spindle speed, that serve as inputs to the predictive models. The baseline nominal model is incrementally updated with experimental data via a gradient boosted adaptation model to generate the residuals that account for discrepancies between the actual machine data under normal conditions and the baseline nominal model predictions. The hybrid model is validated against 20 Mazak milling machine experimental tests and one Haas run-to-failure experiment. The proposed anomaly detector is applied to synthetic data from simulations of the physics-based model at different operating conditions, measurement noise levels, and tool wear levels, and the methods were able to achieve an overall 92% accuracy in data with 1% noise. The anomaly detection methods based on hybrid model reduced the false alarms of either the data-driven or physical-based models alone, and are found to be capable of good online detection of tool wear.

Online anomaly detection↗

Wellbore cement fracture permeability as a function of confining stress and pore pressure

Cemented annulus fractures are a major leakage path in a wellbore system, and their permeability plays an important role in the behavior of fluid flow through a leaky wellbore. The permeability of these fractures is affected by changing conditions including the external stresses acting on the fracture and the fluid pressure within the fracture. Laboratory gas flow experiments were conducted in a triaxial cell to evaluate the permeability of a wellbore cement fracture under a wide range of confining stress and pore pressure conditions. For the first time, an effective stress law that considers the simultaneous effect of confining stress and pore pressure was defined for the wellbore cement fracture permeability. Here the results showed that the effective stress coefficient (λ) for permeability increased linearly with the Terzaghi effective stress ( -p) with an average of λ = 1 in the range of applied pressures. The relationship between the effective stress and fracture permeability was examined using two physical-based models widely used for rock fractures. The results from the experimental work were incorporated into numerical simulations to estimate the impact of effective stress on the interpreted hydraulic aperture and leakage behavior through a fractured annular cement. Accounting for effective stress-dependent permeability through the wellbore length significantly increased the leakage rate at the wellhead compared with the assumption of a constant cemented annulus permeability.

58 GEOSCIENCES↗

Model Inputs, Outputs, and Scripts associated with: “Combined effects of stream hydrology and land use on basin-scale hyporheic zone denitrification in the Columbia River Basin”

This data package is associated with the publication “Combined effects of stream hydrology and land use on basin‐scale hyporheic zone denitrification in the Columbia River Basin”, published in Water Resource Research (Son et al.2022) available at https://doi.org/10.1029/2021WR031131. This data package includes the key model inputs/outputs of the river corridor model for the Columbia River Basin (CRB) and the model source codes used in the manuscript. The model is a carbon-nitrogen-coupled river corridor model (RCM), and the model is used to quantify hyporheic zone (HZ) denitrification at the NHDPLUS stream reach scales. The RCM used in this study combines empirical substrate models derived from observations and three microbially driven reactions, including two-step denitrification and aerobic respiration, are considered within the HZ. The key input data of the model are exchange flux, residence time, and stream solute (dissolved organic carbon (DOC), dissolved oxygen (DO), and nitrate concentrations). These inputs are constant over time and represent long-term averaged values. This study uses the RCM to explore the spatial patterns of HZ denitrification across reaches with different sizes and land use in the CRB. Our main objective is to use the RCM as a virtual reality model, and the machine-learning models as surrogates that encapsulate the complexities of the physics-based model while identifying the importance of different variables that are not evident in the model conceptualization. We do not include a direct comparison of the modeled HZ denitrification and measurements; however, the RCM can capture the overall spatial patterns of the HZ denitrification because the model inputs and its reaction networks are based on well-established theory and a physical-based model. The combination of the model-based predictions and a machine-learning approach (e.g., random forest) is used to improve our understanding of what variables of the model are associated with spatial patterns of the modeled denitrification across reaches with different sizes and land uses, and to develop a proxy model using measurable variables to reproduce the simulated patterns.This dataset contains five folders: (1) model_inputs, (2) model_outputs, (3) Rscripts, (4) figures, and (5) model_codes. It also contains a readme, file level metadata (FLMD), and data dictionary (dd). Please see the FLMD for a list of all the files contained in this data package and descriptions for each. The model_inputs folder contains the model inputs used to drive the model simulations. The model_outputs folder contains key model output files from the river corridor model. The Rscripts folder contains the Rscripts for pre- and post- processing model results. The figures folder contains the raw figures associated with the manuscript. The model_codes folder includes key model source codes/input files. All files are .jpg, .jpeg, .out, .e, .od, .dat, .sub, .F90, .0, .R, .sbx, .cpg, .sbn, .shx, .shp, .dbf, .prj, .tfw, .tif, .xml, .pdf, or .csv.

54 ENVIRONMENTAL SCIENCES↗

MEM: A physical-based directional meteoroid model

Three years of research conducted by the University of Western Ontario into the nature and distribution of the sporadic sources have been incorporated into a Meteoroid Engineering Model (MEM) by members of the Meteoroid Environments Office at NASA's Marshall Space Flight Center. This paper gives a broad overview of this model, new features of which include: a) identification of the sporadic radiants with real sources of meteoroids, such as comets, b) a physics-based approach which yields accurate fluxes and directionality for interplanetary spacecraft anywhere from 0.2 AU to 2 AU. and c) velocity distributions obtained from theory and validated against observation. Its use and application is also described, along with existing limitations and plans for future improvements.

McNamara, H.↗

System modeling for grid-interactive efficient building applications

Despite the abundance of research applications of system modeling in grid-interactive efficient buildings (GEBs), the transfer of those applications to real-world practices is still in its early stages. This is partially due to the lack of a summary on how system modeling should be established for a given application of GEBs. Here, we fill this gap by providing an extensive survey of the literature on system modeling for different GEBs that have been produced in the past decade. This survey involves over 300 relevant journal articles from the building community, the power system community, and the society of control. Specifically, we first identified key requirements of system modeling for GEBs based on various types of applications discussed in those publications. We then summarized the system modeling applications from those publications, in terms of their assumptions, modeling approach, and simulation. After that, we analyzed different assumptions made for various applications, the extent to which those modeling approaches satisfied the key requirements, and how those approaches can be scaled up for large-scale applications, which are quite common in GEBs. In addition, we gave insights on how to use system modeling for different applications in GEBs. At the end, we provided recommended directions for future studies to fully unleash the potentials of system modeling to support GEBs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling and Energy Analysis of Refrigeration Systems in Supermarkets: A Case Study

Refrigeration systems are the single largest consumer of electricity in supermarkets, accounting for approximately 40–60% of total store electricity use. As supermarkets face increasing pressures to improve efficiency and reduce operational costs, understanding the energy performance of refrigeration systems in supermarkets has become essential. In this paper, we investigate the energy performance and patterns of the refrigeration system using field measurements in one supermarket. The compressor coefficient of performance (COP) averaged 4.5 during nighttime steady-state operation, providing a practical efficiency benchmark. We develop simple physical-based load models for the display cases in the supermarket, where the refrigeration system uses R404A. The results show the display case models achieve a good agreement with measured data, validating its utility for energy estimation during unoccupied hours. Finally, the analysis reveals several challenges of data collection systems for refrigeration systems in the supermarket industry as well.

Chen, Yimin [ORNL] (ORCID:0000000338181655)↗

Representing lateral groundwater flow from land to river in Earth system models

Lateral groundwater flow (LGF) is an important hydrologic process in controlling water table dynamics. Due to the relatively coarse spatial resolutions of land surface models, the representation of this process is often overlooked or overly simplified. In this study, we developed a hillslope-based lateral groundwater flow model. Specifically, we first developed a hillslope definition model based on an existing watershed delineation model to represent the subgrid spatial variability in topography. Building upon this hillslope definition, we then developed a physical-based lateral groundwater flow using Darcy’s equation. This model explicitly considers the relationships between the groundwater table along the hillslope and the river water table levels. We coupled this intra-grid model to the land component (E3SM Land Model: ELM) and river component (MOdel for Scale Adaptive River Transport: MOSART) of the Energy Exascale Earth System Model (E3SM). We tested both the hillslope definition model and the lateral groundwater flow model and performed sensitivity experiments using different configurations. Simulations for a single grid cell at 0.5°×0.5° within the Amazon basin show that the definition of hillslope is the key to modeling lateral flow processes and the runoff partition between surface and subsurface can be dramatically changed using the hillslope approach. Although our method provides a pathway to improve the lateral flow process, future improvements are needed to better capture the subgrid structure to account for the spatial variability in hillslopes within the simulated grid of land surface models.

54 ENVIRONMENTAL SCIENCES↗

Developing Fast and Accurate Radiative Transfer Models to Meet the Needs of Modern Satellite Remote Sensing Applications

Modern hyperspectral satellite remote sensors provide highly accurate measurements the Earth’s Top-of-Atmosphere (TOA) radiance, reflectance, or polarized spectra with hundreds to thousands of spectral channels and with millions of observations per day. The large data volume and high spectral dimensionality of the data pose challenges for retrieval algorithms. To process the satellite Level-1 data (e.g. calibrated TOA spectra) into Level-2 products (e.g. atmospheric and surface properties) using physical-based retrieval algorithms, accurate and fast Radiative Transfer Models (RTMs) are needed. RTMs are usually the limiting factor in determining the speed of a level-2 algorithm. For example, more than one million Line-by-Line (LBL) radiative transfer (RT) calculations are needed in order to properly capture the spectral contributions of important atmospheric molecules for an IR hyperspectral sensor with a spectral coverage from 3.5 m to 15 m or a solar hyperspectral sensor with spectral coverage from 0.25 m to 2.5 m. In this presentation, we will discuss advantages and disadvantages of different ways (e.g. correlated k and effective transmittance) to accelerate the speed of a fast RTM. We finally describe a Principal Component-based Radiative Transfer Model (PCRTM), which can calculate TOA radiance or reflectance spectra from 50 cm-1 to 40,000 cm-1 (200 m to 0.25 m). It has demonstrated very good accuracy relative to reference LBL RTMs and saves orders of magnitude in computational time. The PCRTM has been used in many satellite remote sensing applications. Examples include forward modeling in Level-2 and Level-3 retrieval algorithms, high fidelity satellite instrument simulators and instrument performance trade studies, spectral and radiometric accuracy characterizations of satellite Level-1 data, tools for inter-satellite calibrations, tools for satellite RTM lookup table generations, and tools for generating physically based training datasets for Artificial Intelligence (AI) algorithms.

climate data record↗

A GeoNEX-Based High-Spatiotemporal-Resolution Product of Land Surface Downward Shortwave Radiation and Photosynthetically Active Radiation

Surface downward shortwave radiation (DSR) and photosynthetically active radiation (PAR) play critical roles in the Earth’s surface processes. As the main inputs of various ecological, hydrological, carbon, and solar photovoltaic models, increasing requirements for high-spatiotemporal-resolution DSR and PAR es- timation with high accuracy have been observed in recent years. However, few existing products satisfy all of these requirements. This study employed a well-established physical-based lookup table (LUT) approach to the GeoNEX gridded top-of-atmosphere bidirectional reflectance factor data acquired by the Advanced Hi- mawari Imager (AHI) and Advanced Baseline Imager (ABI) sensors. It produced a data product of DSR and PAR over both AHI and ABI coverage at an hourly temporal step with a 1 km spatial resolution. GeoNEX DSR data were validated over 63 stations, and GeoNEX PAR data were validated over 27 stations. The vali- dation showed that the new GeoNEX DSR and PAR products have accuracy higher than other existing prod- ucts, with root mean square error (RMSE) of hourly GeoNEX DSR achieving 74.3Wm−2 (18.0%), daily DSR estimation achieving 18.0 W m−2 (9.2 %), hourly GeoNEX PAR achieving 34.9 W m−2 (19.6 %), and daily PAR achieving 9.5 W m−2 (10.5 %). The study also demonstrated the application of the high-spatiotemporal- resolution GeoNEX DSR product in investigating the spatial heterogeneity and temporal variability of surface solar radiation. The data product can be freely accessed through the NASA Advanced Supercomputing Division GeoNEX data portal: https://data.nas.nasa.gov/geonex/geonexdata/GOES16/GEONEX-L2/DSR-PAR/ (last ac- cess: 12 March 2023) and https://data.nas.nasa.gov/geonex/geonexdata/HIMAWARI8/GEONEX-L2/DSR-PAR/ (last access: 12 March 2023) (https://doi.org/10.5281/zenodo.7023863; Wang and Li, 2022).

Surface downward shortwave radiation (DSR)↗

Electronic structure theory on modeling short-range noncovalent interactions between amino acids

While short-range noncovalent interactions (NCIs) are proving to be of importance in many chemical and biological systems, these atypical bindings happen within the so-called van der Waals envelope and pose an enormous challenge for current computational methods. We introduce SNCIAA, a database of 723 benchmark interaction energies of short-range noncovalent interactions between neutral/charged amino acids originated from protein x-ray crystal structures at the “gold standard” coupled-cluster with singles, doubles, and perturbative triples/complete basis set [CCSD(T)/CBS] level of theory with a mean absolute binding uncertainty less than 0.1 kcal/mol. Subsequently, a systematic assessment of commonly used computational methods, such as the second-order Møller−Plesset theory (MP2), density functional theory (DFT), symmetry-adapted perturbation theory (SAPT), composite electronic-structure methods, semiempirical approaches, and the physical-based potentials with machine learning (IPML) on SNCIAA is carried out. It is shown that the inclusion of dispersion corrections is essential even though these dimers are dominated by electrostatics, such as hydrogen bondings and salt bridges. Overall, MP2, ωB97M-V, and B3LYP+D4 turned out to be the most reliable methods for the description of short-range NCIs even in strongly attractive/repulsive complexes. SAPT is also recommended in describing short-range NCIs only if the δMP2 correction has been included. The good performance of IPML for dimers at close-equilibrium and long-range conditions is not transferable to the short-range. We expect that SNCIAA will assist the development/improvement/validation of computational methods, such as DFT, force-fields, and ML models, in describing NCIs across entire potential energy surfaces (short-, intermediate-, and long-range NCIs) on the same footing.

Chemistry↗

Virtual Shaker Testing: Simulation Technology Improves Vibration Test Performance

In the field of vibration testing, the interaction between the structure being tested and the instrumentation hardware used to perform the test is a critical issue. This is particularly true when testing massive structures (e.g. satellites), because due to physical design and manufacturing limits, the dynamics of the testing facility often couples with the test specimen one in the frequency range of interest. A further issue in this field is the standard use of a closed loop real-time vibration control scheme, which could potentially shift poles and change damping of the aforementioned coupled system. Virtual shaker testing is a novel approach to deal with these issues. It means performing a simulation which closely represents the real vibration test on the specific facility by taking into account all parameters which might impact the dynamic behavior of the specimen. In this paper, such a virtual shaker testing approach is developed. It consists of the following components: (1) Either a physical-based or an equation-based coupled electro-mechanical lumped parameter shaker model is created. The model parameters are obtained from manufacturer's specifications or by carrying out some dedicated experiments; (2) Existing real-time vibration control algorithm are ported to the virtual simulation environment; and (3) A structural model of the test object is created and after defining proper interface conditions structural modes are computed by means of the well-established Craig-Bampton CMS technique. At this stage, a virtual shaker test has been run, by coupling the three described models (shaker, control loop, structure) in a co-simulation routine. Numerical results have eventually been correlated with experimental ones in order to assess the robustness of the proposed methodology.

Ricci, Stefano↗

Rover Slip Validation and Prediction Algorithm

A physical-based simulation has been developed for the Mars Exploration Rover (MER) mission that applies a slope-induced wheel-slippage to the rover location estimator. Using the digital elevation map from the stereo images, the computational method resolves the quasi-dynamic equations of motion that incorporate the actual wheel-terrain speed to estimate the gross velocity of the vehicle. Based on the empirical slippage measured by the Visual Odometry software of the rover, this algorithm computes two factors for the slip model by minimizing the distance of the predicted and actual vehicle location, and then uses the model to predict the next drives. This technique, which has been deployed to operate the MER rovers in the extended mission periods, can accurately predict the rover position and attitude, mitigating the risk and uncertainties in the path planning on high-slope areas.

Yen, Jeng↗

Next-Generation Satellite Precipitation Products for Understanding Global and Regional Water Variability

A major challenge in understanding the space-time variability of continental water fluxes is the lack of accurate precipitation estimates over complex terrains. While satellite precipitation observations can be used to complement ground-based data to obtain improved estimates, space-based and ground-based estimates come with their own sets of uncertainties, which must be understood and characterized. Quantitative estimation of uncertainties in these products also provides a necessary foundation for merging satellite and ground-based precipitation measurements within a rigorous statistical framework. Global Precipitation Measurement (GPM) is an international satellite mission that will provide next-generation global precipitation data products for research and applications. It consists of a constellation of microwave sensors provided by NASA, JAXA, CNES, ISRO, EUMETSAT, DOD, NOAA, NPP, and JPSS. At the heart of the mission is the GPM Core Observatory provided by NASA and JAXA to be launched in 2013. The GPM Core, which will carry the first space-borne dual-frequency radar and a state-of-the-art multi-frequency radiometer, is designed to set new reference standards for precipitation measurements from space, which can then be used to unify and refine precipitation retrievals from all constellation sensors. The next-generation constellation-based satellite precipitation estimates will be characterized by intercalibrated radiometric measurements and physical-based retrievals using a common observation-derived hydrometeor database. For pre-launch algorithm development and post-launch product evaluation, NASA supports an extensive ground validation (GV) program in cooperation with domestic and international partners to improve (1) physics of remote-sensing algorithms through a series of focused field campaigns, (2) characterization of uncertainties in satellite and ground-based precipitation products over selected GV testbeds, and (3) modeling of atmospheric processes and land surface hydrology through simulation, downscaling, and data assimilation. An overview of the GPM mission, science status, and synergies with HyMex activities will be presented

Hou, Arthur Y.↗