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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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Development of metrics that are relevant to track to validate and evaluate charging use (session) data, mathematical definitions of these metrics assuming charging use data is provide in the EV-ChART format, and a methodology of interpreting the metrics and determining when corrective action is necessary.
Grid operators rely on historical weather time series at existing and planned wind power plants to make informed decisions when planning for a future power grid with very high penetration of renewable power. While synthetic wind power time series have been developed based on historical weather models, their validation with actual power production data remains complex due to variations in modeling practices and methodologies. This paper introduces the WE-Validate framework, originally designed for wind speed validation and now enhanced for wind power validation with a graphical user interface to support users with minimal programming experience. Validation of wind power with WE-Validate is based on robust metrics consisting of RMSE, centered RMSE, average bias, average percent bias, mean absolute error, mean absolute percent error, cross correlation, and calculation of ramping magnitude, rate, and duration. This paper showcases WE-Validate with validation of synthetically derived power for a wind plant in Washington state for one month in 2018. Validation of the synthetic power from two comparison data sets compared with observations shows both comparison series have strong correlation with observed across weekly and monthly aggregations while suffering from persistent negative bias. The suite of metrics within WE-Validate facilitates immediate insight into the utility of the comparison data sets through compression across multiple axes. This user-friendly, open-source tool can be extended beyond wind power, making it a valuable resource for system planners and operators in different domains.
Shear assisted processing and extrusion (ShAPE) is a solid-phase processing technique that adds an additional shear force as compared with a conventional extrusion approach. Recently, ShAPE has demonstrated the capability of extruding high-performance aluminum alloy 7075 (AA7075) tubes at speeds up to 12.2 m/min without surface tearing. However, the relationship among the ShAPE processing parameters, thermomechanical conditions, contact conditions, heat generation, and microstructure evolution remains primarily empirical because an insightful understanding of the associated physics is still lacking. To help elucidate these relationships, this work proposes a thermomechanical meshfree model for the first time for ShAPE processing of AA7075 using the smoothed particle hydrodynamics (SPH) method. The meshfree model is first validated thoroughly by experimental data in terms of material flow, die face temperature, and extrusion force with various processing parameters. The validated model is then used to analyze the steady-state contact conditions and heat generation rates during ShAPE processing. Distributions of the average grain size of AA7075 being extruded are calculated using the SPH model output. The meshfree model results reveal that extrusions conducted at lower temperatures and higher strain rates yield more refined grains and possibly higher material strength, which is also consistent with the experimental observations.
The US Department of Energy Office of Nuclear Energy (DOE-NE) Office of Spent Fuel and High-Level Waste Disposition is examining a set of system options and conducting supporting analyses to inform the development of an integrated waste management system, which may include one or more federal staging facilities (FSFs) for used nuclear fuel (UNF ) sited using a collaborative siting process. This paper focuses on the ongoing activities in two systems engineering and analysis work areas: (1) data and tools development, validation, and maintenance and (2) systems engineering execution. Within the first work area, the STANDARDS 5.0 UNF data and analysis tool, formerly known as UNF-ST&DARDS, is being developed as a foundational resource to assist in the management of UNF data. It has the key capability to model UNF throughout the entire back end of the fuel cycle. STANDARDS also includes several compatible analysis tools for the time-dependent characterization of UNF and related systems by interfacing with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Also, within the data and tools area is the Next Generation System Analysis Model (NGSAM), which is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system, including the transportation of UNF to and from a FSF. NGSAM has been developed to enable informed decision-making by providing the capability to analyze various potential system options for the management of UNF and high-level radioactive waste. Finally, in the systems engineering execution area, the team has begun to apply a disciplined systems engineering approach at the system level along with supporting analysis to guide the development of the FSF project requirements (including associated transportation infrastructure). Systems engineering principles and practices and their adaptation/application to design and development activities will ensure that the waste management system is effectively implemented as work proceeds. Other activities include investigating the implications of changes in various assumptions and parameters related to waste management systems, such as UNF acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, and different assumed facility operation start dates. Keywords: federal staging facility (FSF), used nuclear fuel (UNF), integrated waste management (IWM) system, Next Generation System Analysis Model (NGSAM), STANDARDS, systems engineering
The Tipping Bucket Rain Gauge (TBRG) dataset contains data from a non-heated Met One 12-inch tipping bucket rain gauge that was mounted on the Argonne Deployable Mast (ADM). The ADM is a rapid deployable meteorological trailer that can be outfitted with instrumentation to measure urban heat island effects, urban flooding or urban flux measurements. During the urban flooding field campaign, the ADM was outfitted with multiple precipitation measurement systems, including the TBRG. This dataset contains one minute measurements for precipitation accumulation during the ADM's deployment at the Argonne Testbed for Multiscale Observational Science (ATMOS) site. These data are helpful for identifying periods of precipitation, leading to potential flooding. TBRGs can be used to validate optical rain gauge data and disdrometer data collected during the CROCUS urban flooding campaign. Data were collected at ATMOS, a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (ADM-atmos), instrument name (tbrg), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or act-doe.
The Tipping Bucket Rain Gauge (TBRG) dataset contains data from a non-heated Met One 12-inch tipping bucket rain gauge that was mounted on the Argonne Deployable Mast (ADM). The ADM is a rapid deployable meteorological trailer that can be outfitted with instrumentation to measure urban heat island effects, urban flooding or urban flux measurements. During the urban flooding field campaign, the ADM was outfitted with multiple precipitation measurement systems, including the TBRG. This dataset contains one minute measurements for precipitation accumulation during the ADM's deployment at the Northeastern Illinois University (NEIU) Carruthers Center for Inner City Studies (CCICS) campus. These data are helpful for identifying periods of precipitation, leading to potential flooding. TBRGs can be used to validate optical rain gauge data and disdrometer data collected during the CROCUS urban flooding campaign. Data were collected at the CCICS building parking lot, located in the south side of Chicago, IL. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (ADM-ccics), instrument name (tbrg), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or act-doe.
Accurate estimation of vehicle fuel consumption typically requires detailed modeling of complex internal powertrain dynamics, often resulting in computationally intensive simulations. However, many transportation applications-such as traffic flow modeling, optimization, and control-require simplified models that are fast, interpretable, and easy to implement, while still maintaining fidelity to physical energy behavior. This work builds upon a recently developed model reduction pipeline that derives physics-like energy models from high-fidelity Autonomie vehicle simulations. These reduced models preserve essential vehicle dynamics, enabling realistic fuel consumption estimation with minimal computational overhead. While the reduced models have demonstrated strong agreement with their Autonomie counterparts, previous validation efforts have been confined to simulation environments. This study extends the validation by comparing the reduced energy model's outputs against real-world vehicle data. Focusing on the MidSUV category, we tune the baseline Autonomie model to closely replicate the characteristics of a Toyota RAV4. We then assess the accuracy of the resulting reduced model in estimating fuel consumption under actual drive conditions. Our findings suggest that, when the reference Autonomie model is properly calibrated, the simplified model produced by the reduction pipeline can provide reliable, semi-principled fuel rate estimates suitable for large-scale transportation applications.
This project evaluated how high-resolution, spatially distributed field data can be used to refine and validate site-scale hydrodynamic simulations of tidal channels. Use of such spatially-distributed field observations or site-scale hydrodynamic simulations will be needed for producing accurate predictions of tidal energy production over larger arrays of tidal turbines. The data contained in this archive includes field observations of water velocity from a series of short surveys in Agate Pass taken on August 20th, 2020 using station-keeping ADCP (acoustic doppler current profiler) measurements, drifting downward-looking ADCPs, and microFloats, gathered by researchers at APL-UW under a previous project. It also includes high-resolution hydrodynamic model runs for the site during that time generated under TEAMER support. An explanatory file (.pdf format) describes the survey and field data structure. Processed data is stored in .mat format. Survey summary: start time, number of floats, water level. microFloat data: - Cleaned data for each float in survey, - Time series of position (lat., lon.), depth (relative to surface), and horizontal velocity (u, v) Drifting ADCP data: - Cleaned data for each drifting ADCP in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) Stationary ADCP data: - Cleaned data for each station-keeping data set in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) FVCOM (Finite Volume Coastal Ocean Model) model outputs: Water level and velocity, as well as derived variables (e.g., power density) from the final refined model simulations for the Agate Pass subdomain. Contained in NetCDF and ASCII files for the duration of August 18th and 20th 2020 field surveys. Additional scripts for processing the data and generating the figures in the report are included.
The in vitro transcription (IVT) reaction used in the production of messenger RNA vaccines and therapies remains poorly quantitatively understood. Mechanistic modeling of IVT could inform reaction design, scale-up, and control. In this work, we develop a mechanistic model of IVT to include nucleation and growth of magnesium pyrophosphate crystals and subsequent agglomeration of crystals and DNA. To help generalize this model to different constructs, a novel quantitative description is included for the rate of transcription as a function of target sequence length, DNA concentration, and T7 RNA polymerase concentration. The model explains previously unexplained trends in IVT data and quantitatively predicts the effect of adding the pyrophosphatase enzyme to the reaction system. The model is validated on additional literature data showing an ability to predict transcription rates as a function of RNA sequence length.
Diesel engines are extensively used in heavy-duty transportation, power generation, and marine vehicles due to their superior thermal efficiency and extended high-load operability compared to spark ignition (SI) engines. However, combustion in diesel engines is generally characterized by locally rich fuel–air mixtures and high combustion temperatures, causing significant amounts of soot and NO x emissions from these engines. Utilizing carbon-free alternative fuels and enhancing fuel efficiency represent promising strategies to mitigate greenhouse gas (GHG) and other emissions in the heavy-duty transportation sector. In this context, ammonia (NH 3 ), as a hydrogen carrier, has received significant attention as a viable substitute for hydrocarbon fuels due to its carbon-free composition, relatively high energy density, and well-established infrastructure. Many previous studies have considered combustion and emission characteristics of ammonia-hydrocarbon fuel blends in engines and simplified flames. But, detailed investigations on the effects of ammonia on the performance of hydrocarbon fuels under engine conditions are lacking. In the present study, we perform large eddy simulations (LES) of the ignition and flame processes in a constant-volume combustion reactor, where n-heptane is injected in an ammonia/air ambient mixture in a diesel-like environment. A detailed and validated reaction mechanism containing 302 species and 1981 reactions is employed. The Engine Combustion Network Spray H experimental data is used to validate the spray model under both non-reacting and reacting conditions. Dual-fuel combustion is simulated using the well-stirred reactor (WSR) approach. Results are presented for two spray cases: (1) single fuel (SF) with n-heptane injected into a mixture of air and combustion products and (2) dual-fuel (DF) with the injection of n-heptane in a mixture of air, ammonia, and combustion products. It is observed that the presence of ammonia has a significant effect on the ignition and flame development processes. With ammonia addition, both the first- and second-stage ignition delay times increase, but the effect of ammonia on the second-stage ignition is significantly more prominent. In addition, the ignition kernel size and growth rate decrease noticeably. For SF spray, the main ignition is characterized by multiple ignition kernels near the spray tip, whereas for DF spray, a single relatively small ignition kernel forms and grows slowly in the downstream direction. The flame development and the final quasi-steady flame structure are also modified due to ammonia. Here, the outcome of this research would enable a better understanding of ammonia–diesel dual-fuel spray flame behavior and guide the development of associated engine combustion strategies.
Abstract MF-LOGP, a new method for determining a single component octanol–water partition coefficients ( $$LogP$$ LogP ) is presented which uses molecular formula as the only input. Octanol–water partition coefficients are useful in many applications, ranging from environmental fate and drug delivery. Currently, partition coefficients are either experimentally measured or predicted as a function of structural fragments, topological descriptors, or thermodynamic properties known or calculated from precise molecular structures. The MF-LOGP method presented here differs from classical methods as it does not require any structural information and uses molecular formula as the sole model input. MF-LOGP is therefore useful for situations in which the structure is unknown or where the use of a low dimensional, easily automatable, and computationally inexpensive calculations is required. MF-LOGP is a random forest algorithm that is trained and tested on 15,377 data points, using 10 features derived from the molecular formula to make $$LogP$$ LogP predictions. Using an independent validation set of 2713 data points, MF-LOGP was found to have an average $$RMSE$$ RMSE = 0.77 ± 0.007, $$MAE$$ MAE = 0.52 ± 0.003, and $${R}^{2}$$ R 2 = 0.83 ± 0.003. This performance fell within the spectrum of performances reported in the published literature for conventional higher dimensional models ( $$RMSE$$ RMSE = 0.42–1.54, $$MAE$$ MAE = 0.09–1.07, and $${R}^{2}$$ R 2 = 0.32–0.95). Compared with existing models, MF-LOGP requires a maximum of ten features and no structural information, thereby providing a practical and yet predictive tool. The development of MF-LOGP provides the groundwork for development of more physical prediction models leveraging big data analytical methods or complex multicomponent mixtures. Graphical Abstract
This is the data collected during the validation period. The buoy is scheduled to be deployed near Martha's Vinyard in mid-January 2020. Data from the buoy itself are contained in 2 files labeled "primary" and "secondary".
This is the data collected during the validation period. The buoy is scheduled to be deployed near Martha's Vinyard in mid-January 2020. Data collected from buoy instruments are contained in two files labeled “primary” and secondary.” Header information for these files can be found in the respective tabs in the Excel spreadsheet under Attachments.
This is the data collected during the validation period. The buoy is scheduled to be deployed near Martha's Vinyard in mid-January 2020. Data collected from buoy instruments are contained in two files labeled “primary” and secondary.” Header information for these files can be found in the respective tabs in the Excel spreadsheet under Attachments.
The rapidly increasing distributed energy resources (DERs) in power systems are now getting interconnected to set community grid structures, where power quality will be a major concern. The grid-to-grid (G2G) bidirectional power transfer among the distribution microgrid will not be considered commercially feasible unless the upstream harmonics are under the limits. The aggregation of such harmonics, measured as total harmonic distortion (THD), is feared to be beyond tolerable limits with the progression of rooftop grid-tied PV-like installations. Hence, this THD needs to be characterized with DER generation end variables. In this work, the photovoltaic (PV) DERs’ dependency on environment variables such as irradiance was profiled in the context of generating and injecting harmonics into the grid. A mathematical model of a grid-tied three-phase PV DER was developed as part of this correlation characterization, matching the fundamental unit structure of a 1.4 MW solar canopy located on the Florida International University (FIU) Miami campus. To determine the qualitative association with produced THD patterns, the model was evaluated with various irradiance settings. A real-time digital simulation (RTDS) platform was used to verify it. Following this confirmation, sets of data from power quality meters at the point of common coupling and FIU field sensors were utilized to validate further the correlation model. The results showed that the grid current’s THD exhibited a high correlation with the irradiance profile and its variation over time. The early morning and late afternoon periods of the day, associated with a low irradiance, constantly had higher harmonics generated from the PV DER. The midday THD was rather rational with partial shadings, hence a geolocation-dependent factor. These findings were verified by an RTDS and validated by real field data. In quantifying the THD injected by a single DER at a high-frequency (2–150 kHz) supraharmonics (SH) level, a 3% peak increment in magnitude was observed from the high-fixed to the low-fixed irradiance profile. The correlation characteristics depicted that the hybrid microgrid suffered from a daytime-dependent harmonic insertion from the grid-tied DER. This is a global problem unless specific measures are taken to mitigate the harmonics. The electrically notorious higher-frequency SH was found to increase proportionally. The G2G power transfer can be limited because of the higher THD in the early morning and late afternoon, which will also worsen because the numbers of grid-tied PV DERs (i.e., rooftop solar and industrial solar) are likely to increase rapidly soon. The community grid structure can thus have a controlled harmonics filtration setup purposefully designed to address the findings of this work, which also fall within the scope of our future research.
Light water is the most important neutron moderator in many reactor applications. Thermal neutron scattering kernels for H bound in H 2 O are represented by ENDF-format thermal scattering laws (TSLs) evaluated at discrete temperatures T . Nuclear data evaluations are conventionally validated utilizing a combination of critical benchmarks and experimental cross section data. Existing public critical benchmarks may be inadequate for testing water TSLs over the full range of T of interest in reactor applications, and experimental thermal scattering cross section data for water is sparse at elevated T . In this work, MC21 is used to simulate the decay of the equilibrium thermal neutron flux in light-water spheres of several radii. The fundamental-mode time eigenvalue $\mathcal{a}$ is calculated at 22 °C and 227 °C (at saturation pressure) for each sphere using three different H-H 2 O TSLs. Fitting $\mathcal{a}$ to a polynomial function of geometric buckling allows calculation of the thermal neutron diffusion length L . Extrapolation lengths are treated as a function of the transport mean free path and geometry. Experimental L data from 25 publications at 49 temperatures (from 10 °C to 295 °C), computed by several different time-dependent and space-dependent decay methods, is used to develop an empirical fit of L vs. T . The MC21-calculated L for the TSLs tested are within ±1% of the predicted values at 22 °C and 227 °C. This validation approach, which may be repeated at arbitrary T , constitutes an integral benchmark specific to and characterizing the detailed physics of the thermal scattering kernel applied.
Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretical data and very limited experimental data for fast identification of experimental X-ray diffraction (XRD) patterns of metal–organic frameworks (MOFs). To augment the data for training the model, noise was extracted from experimental data and shuffled; then it was merged with the main peaks that were extracted from theoretical spectra to synthesize new spectra. For the first time, one-to-one material identification was achieved. Theoretical MOFs patterns (1012) were augmented to a whole data set of 72 864 samples. It was then randomly shuffled and split into training (58 292 samples) and validation (14 572 samples) data sets at a ratio of 4:1. For the task of discriminating, the optimized model showed the highest identification accuracy of 96.7% for the top 5 ranking on a test data set of 30 hold-out samples. Neighborhood component analysis (NCA) on the experimental XRD samples shows that the samples from the same material are clustered in groups in the NCA map. Analysis on the class activation maps of the last CNN layer further discloses the mechanism by which the CNN model successfully identifies individual MOFs from the XRD patterns. Furthermore, this CNN model trained by the data augmentation technique would not only open numerous potential applications for identifying XRD patterns for different materials, but also pave avenues to autonomously analyze data by other characterization tools such as FTIR, Raman, and NMR spectroscopies.
FAST.Farm is a new midfidelity engineering tool developed by the National Renewable Energy Laboratory targeted at accurately and efficiently predicting wind turbine power production and structural loading in wind farm settings, including wake interactions between turbines. FAST.Farm is based on some of the principles of the Dynamic Wake Meandering model—including passive tracer modeling of wake meandering—but addresses many of the limitations of previous Dynamic Wake Meandering (DWM) implementations. Previous FAST.Farm verification studies show the similarities and differences between FAST.Farm and large-eddy simulations for rigid and flexible turbines. In this validation study, FAST.Farm turbine responses are compared to multiturbine measurements from a subset of a full-scale wind farm. FAST.Farm predictions of turbine generator power, rotor speed, and blade pitch for five-turbine simulations are compared to supervisory control and data acquisition results. Results reveal that FAST.Farm generator power mean and standard deviation results reasonably match measured data for upstream and downstream turbines, as well as the mean rotor speed and blade pitch above rated wind speeds. However, FAST.Farm generally underpredicts the mean rotor speed and overpredicts the mean blade pitch below rated operation. These errors are likely related to inaccuracies in the generic controller simulated. Despite controller differences, FAST.Farm predicts the same overall relative rotor power trends for all waked turbines at all wind speeds.