Enhanced validation of small-molecule ligands and carbohydrates in the Protein Data Bank
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Feng, Zukang (ORCID:0000000217886579)↗
SEARCH · Engineering Papers
Results for “data validation”
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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What you get is not always what you see—pitfalls in solar array assessment using overhead imagery
Effective integration planning for small, distributed solar photovoltaic (PV) arrays into electric power grids requires access to high quality data: the location and power capacity of individual solar PV arrays. Unfortunately, national databases of small-scale solar PV do not exist; those that do are limited in their spatial resolution, typically aggregated up to state or national levels. While several promising approaches for solar PV detection have been published, strategies for evaluating the performance of these models are often highly heterogeneous from study to study. The resulting comparison of these methods for practical applications for energy assessments becomes challenging and may imply that the reported performance evaluations overly optimistic. The heterogeneity comes in many forms, each of which we explore in this work: the degree of diversity of the locations and sensors (e.g. different satellites, aerial photography) from which the training and validation data originate, the validation of ground truth (manual annotation of imagery vs known solar PV locations), the level of spatial aggregation (e.g. array-level vs regional estimates), and inconsistencies in the training and validation datasets (e.g. different datasets are used for each study and those data are not always made accessible). For each, we discuss emerging practices from the literature to address them or suggest directions of future research. As part of our investigation, we evaluate solar PV identification performance in two large regions: the entire state of Connecticut and the city of San Diego, CA. In Connecticut, we also use 33,114 known parcel-level solar PV installations from Berkeley Lab’s Tracking the Sun dataset to evaluate parcel-level performance and evaluate capacity estimates using 169 municipalities. We also make our code (which we call SolarMapper), pre-trained models, training data, and predictions publicly available and provide a web portal for interactively inspecting each prediction that was made. Here our findings suggest that traditional performance evaluation of the automated identification of solar PV from satellite imagery may be optimistic due to common limitations in the validation process. The takeaways from this work are intended to inform and catalyze the large-scale practical application of automated solar PV assessment techniques by energy researchers and professionals.
14 SOLAR ENERGY↗
Empirical scaling laws for coronal heating
The origins and uses of scaling laws in studies of stellar outer atmospheres are reviewed with particular emphasis on the properties of coronal loops. Some evidence is presented for a fundamental structuring of the solar corona and the thermodynamics of scaling laws are discussed. It is found that magnetic field-related scaling laws can be obtained by relating coronal pressure, temperature, and magnetic field strength. Available data validate this method. Some parameters of the theory, however, must be treated as adjustable, and it is considered necessary to examine data from other stars in order to determine the validity of the parameters. Using detailed observational data, the applicability of single loop models is examined.
Golub, L.↗
Modeling Piezoelectric Stack Actuators for Control of Micromanipulation
A nonlinear lumped-parameter model of a piezoelectric stack actuator has been developed to describe actuator behavior for purposes of control system analysis and design, and, in particular, for microrobotic applications requiring accurate position and/or force control. In formulating this model, the authors propose a generalized Maxwell resistive capacitor as a lumped-parameter causal representation of rate-independent hysteresis. Model formulation is validated by comparing results of numerical simulations to experimental data. Validation is followed by a discussion of model implications for purposes of actuator control.
Goldfarb, Michael↗
Non-Linear System Identification for Aeroelastic Systems with Application to Experimental Data
Representation and identification of a non-linear aeroelastic pitch-plunge system as a model of the NARMAX class is considered. A non-linear difference equation describing this aircraft model is derived theoretically and shown to be of the NARMAX form. Identification methods for NARMAX models are applied to aeroelastic dynamics and its properties demonstrated via continuous-time simulations of experimental conditions. Simulation results show that (i) the outputs of the NARMAX model match closely those generated using continuous-time methods and (ii) NARMAX identification methods applied to aeroelastic dynamics provide accurate discrete-time parameter estimates. Application of NARMAX identification to experimental pitch-plunge dynamics data gives a high percent fit for cross-validated data.
Kukreja, Sunil L.↗
Nonlinear System Identification for Aeroelastic Systems with Application to Experimental Data
Representation and identification of a nonlinear aeroelastic pitch-plunge system as a model of the Nonlinear AutoRegressive, Moving Average eXogenous (NARMAX) class is considered. A nonlinear difference equation describing this aircraft model is derived theoretically and shown to be of the NARMAX form. Identification methods for NARMAX models are applied to aeroelastic dynamics and its properties demonstrated via continuous-time simulations of experimental conditions. Simulation results show that (1) the outputs of the NARMAX model closely match those generated using continuous-time methods, and (2) NARMAX identification methods applied to aeroelastic dynamics provide accurate discrete-time parameter estimates. Application of NARMAX identification to experimental pitch-plunge dynamics data gives a high percent fit for cross-validated data.
Kukreja, Sunil L.↗
Development of a Metocean Reference Site near the Massachusetts and Rhode Island Wind Energy Areas
This project developed the first long-term U.S.-based offshore MetOcean Reference Site (MORS-1) by capitalizing on a unique combination of one of the few existing publicly available offshore wind energy metocean observational campaigns in the United States and the only existing research-grade offshore fixed tower. Data collected at MORS-1 has facilitated improved wind resource assessments, improved short-term power production estimates, and reduced costs for sensor validation and calibration efforts, which translate into reduced overall wind energy project risk and cost for developers. Now operational, MORS-1 serves the needs of both industry and researchers using a nonprofit, joint industry-academic partnership model. Led by the Woods Hole Oceanographic Institution, the MORS-1 development effort focused on creating both a recognized organizational structure that will ensure support of the MORS-1 by the wider wind energy industry and research community, and a highly validated data collection and sensor validation facility that will serve as the premier location for cost- and uncertainty-reducing resource characterization and research efforts.
17 WIND ENERGY↗
On the Validation of Satellite-Derived Sea Ice Surface Temperature
The surface temperature of sea ice controls the rate of ice growth and heat exchange between the ocean and the atmosphere. An algorithm for the satellite retrieval of ice surface temperature has recently been published, but due to the lack of validation data has not been extensively tested. In this paper, data from a recent Arctic field experiment is used in an attempt to validate that algorithm. While the procedure is, in principle, straightforward, we demonstrate that validation is complicated by a variety of factors, including incorrectly assumed atmospheric conditions, undetected clouds in the satellite data, spatial and temporal variability in the surface temperature field, and surface and satellite measurement errors. Comparisons between surface temperatures determined from upwelling broadband longwave radiation, spatial measurements of narrow-band radiation, thermocouples buried just below the snow surface, and narrow-band satellite data show differences of 1 to 3 deg. C. The range in these independent measurements indicates the need for specially designed validation experiments utilizing narrow-band radiometers on aircraft to obtain broad spatial coverage.
Key, J.↗
Validation Assessment of Turbulent Reacting Flow Model Using The Area-Validation Metric on Medium-Scale Methanol Pool Fire Results
Accident analysis and ensuring power plant safety are pivotal in the nuclear energy sector. Significant strides have been achieved over the past few decades regarding fire protection and safety, primarily centered on design and regulatory compliance. Yet, after the Fukushima accident a decade ago, the imperative to enhance measures against fire, internal flooding, and power loss has intensified. Hence, a comprehensive, multilayered protection strategy against severe accidents is needed. Consequently, gaining a deeper insight into pool fires and their behavior through extensive validated data can greatly aid in improving these measures using advanced validation techniques. A model validation study was performed at Sandia National Laboratories in which a 30-cm diameter methanol pool fire was modeled using the SIERRA/Fuego turbulent reacting flow code. This validation study used a standard validation experiment to compare model results against, and conclusions have been published. The fire was modeled with a Large Eddy Simulation (LES) turbulence model with subgrid turbulent kinetic energy closure. Combustion was modeled using a strained laminar flamelet library approach. Radiative heat transfer was accounted for with a model utilizing the gray-gas approximation. In the present study, additional validation analysis is performed using the area validation metric (AVM). These activities are done on multiple datasets involving different variables and temporal/spatial ranges and intervals. In conclusion, the results provide insight into the use of the area validation metric on such temporally varying datasets and the importance of physics-aware use of the metric for proper analysis.
98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
High-speed inlet research program and supporting analyses
A Mach 5 cruise aircraft was studied in a joint program effort. The propulsion system chosen for this aircraft was an over-under turbojet/ramjet system. The ramjet portion of the inlet is to be tested in NASA Lewis' 10 x 10 SWT. Goals of the test program are to obtain performance data and bleed requirements, and also to obtain analysis code validation data. Supporting analysis of the inlet using a three-dimensional Navier-Stokes code (PEPSIS) indicates that sidewall shock/boundary layer interactions cause large separated regions in the corners underneath the cowl. Such separations generally lead to inlet unstart, and are thus a major concern. As a result of the analysis, additional bleed regions were added to the inlet model sidewalls and cowl to control separations in the corners. A two-dimensional analysis incorporating bleed on the ramp is also presented. Supporting experiments for the Mach 5 programs were conducted in the Lewis' 1 x 1 SWT. A small-scale model representing the inlet geometry up to the ramp shoulder and cowl lip was tested to verify the accelerator plate test technique and to obtain data on flow migration in the ramp and sidewall boundary layers. Another study explored several ramp bleed configurations to control boundary layer separations in that region. Design of a two-dimensional Mach 5 cruise inlet represents several major challenges including multimode operation and dual flow, high temperatures, and three-dimensional airflow effects.
Coltrin, Robert E.↗
Development of Algorithms and Error Analyses for the Short Baseline Lightning Detection and Ranging System
NASA, at the John F. Kennedy Space Center (KSC), developed and operates a unique high-precision lightning location system to provide lightning-related weather warnings. These warnings are used to stop lightning- sensitive operations such as space vehicle launches and ground operations where equipment and personnel are at risk. The data is provided to the Range Weather Operations (45th Weather Squadron, U.S. Air Force) where it is used with other meteorological data to issue weather advisories and warnings for Cape Canaveral Air Station and KSC operations. This system, called Lightning Detection and Ranging (LDAR), provides users with a graphical display in three dimensions of 66 megahertz radio frequency events generated by lightning processes. The locations of these events provide a sound basis for the prediction of lightning hazards. This document provides the basis for the design approach and data analysis for a system of radio frequency receivers to provide azimuth and elevation data for lightning pulses detected simultaneously by the LDAR system. The intent is for this direction-finding system to correct and augment the data provided by LDAR and, thereby, increase the rate of valid data and to correct or discard any invalid data. This document develops the necessary equations and algorithms, identifies sources of systematic errors and means to correct them, and analyzes the algorithms for random error. This data analysis approach is not found in the existing literature and was developed to facilitate the operation of this Short Baseline LDAR (SBLDAR). These algorithms may also be useful for other direction-finding systems using radio pulses or ultrasonic pulse data.
Starr, Stanley O.↗
EPA requirements and programs
The proposed ERTS-DCS system is designed to allow EPA the capability to evaluate, through demonstrable hardware, the effectiveness of automated data collection techniques. The total effectiveness of any system is dependent upon many factors which include equipment cost, installation, maintainability, logistic support, growth potential, flexibility and failure rate. This can best be accomplished by installing the system at an operational environmental control agency (CAMP station) to insure that valid data is being obtained and processed. Consequently, it is imperative that the equipment interface must not compromise the validity of the sensor data nor should the experimental system effect the present operations of the CAMP station. Since both the system which is presently in use and the automatic system would be in operation in parallel, conformation and comparison are readily obtained.
Koutsandreas, J. D.↗
Development and Experimental Validation of a Heat Transfer Model for Spilled Molten Salt Pools
A spill of radionuclide-bearing molten salt is one of the major postulated events that needs to be analyzed for liquid fluorine salt-cooled high-temperature reactor (FHR) or molten salt reactor licensing purposes. In this postulated event, radioactive source term materials (RSTMs) in the molten salt are discharged from the reactor vessel to the reactor building. The release of RSTMs from the spilled salt pool to the gas space in the reactor building is expected to be controlled by the cooling behavior of the spilled salt, including the growth and shrinkage of the solid crust on the surface of the spilled salt pool. This paper presents a simulation model for spilled salt pool heat transfer and validation efforts. The validation data come from two molten salt spill tests that were performed recently: the PELE2 test by the Rapid Experimental Laboratory of Kairos Power LLC (KP) and the Argonne salt cooling test conducted by Argonne National Laboratory. The former was a large-scale test involving kilograms of molten spilled FLiNaK salt, and the latter was a relatively smaller-scale test targeting various processes associated with a salt spill event. Both tests generated valuable data sets that can be used to assess salt cooling and validate evaluation models. This paper provides a new one-dimensional model that can simulate the cooling process of a spilled salt pool as well as the thermal responses of heat structures, such as the stainless steel liner and the concrete below the salt. The model has been implemented as part of KP-SAM code, which is a branch of the systems code SAM specific to KP FHR. In conclusion, the simulation results of the model are compared with the data of the PELE2 and Argonne tests, and reasonable agreements are observed between the model and test data.
heat transfer model↗
Can MODIS Data Calibrate and Validate Coastal Sediment Transport Models? Rapid Prototyping Using 250 m Data and the ECOMSED Model for Lake Pontchartrain, LA USA
Field measurements from small boats and sparse arrays of instrumented buoys often do not provide sufficient data to capture the dynamic nature of biogeophysical parameters in may coastal aquatic environments. Several investigators have shown the MODIS 250 m images can provide daily synoptic views of suspended sediment concentration in coastal waters to determine sediment transport and fate. However, the use of MODIS for coastal environments can be limited due to a lack of cloud-free images. Sediment transport models are not constrained by sky conditions but often suffer from a lack of in situ observations for model calibration or validation. We demonstrate here the utility of MODIS 250 m to calibrate (set model parameters), validate output, and set or reset initial conditions of a hydrodynamic and sediment transport model (ECOMSED) developed for Lake Pontchartrain, LA USA. We present our approach in the context of how to quickly assess of 'prototype' an application of NASA data to support environmental managers and decision makers. The combination of daily MODIS imagery and model simulations offer a more robust monitoring and prediction system of suspended sediments than available from either system alone.
Miller, Richard L.↗
Development of Digital Twin Predictive Model for PWR Components: Updates on Multi Times Series Temperature Prediction Using Recurrent Neural Network, DMW Fatigue Tests, System Level Thermal-Mechanical-Stress Analysis
The long-term operation (LTO) of nuclear power plant (NPP) beyond their original design life of 40 years, can lead to more material damage associated with cyclic fatigue under thermal-mechanical loading cycles and associated long-term exposure of reactor material to the deleterious reactor-coolant environments. However, under this LTO condition the reactor components can still safely operate but may require more frequent Nondestructive Evaluation (NDE) of reactor components. Frequent NDE requirement may lead to frequent shutdown of the NPP. This in turn can lead to power outage and additional NDE-inspection-cost related economic loss. The economic loss can be minimized by reducing uncertainty in life estimation of safety-critical pressure boundary components and by implementing more digital approach such as by using upcoming digital-twin (DT) technology for predicting the structural states (e.g., time and location dependent inside/outside thickness temperature, stress, strain, plastic deformation, etc.) and associated fatigue life of a component in real time. Towards this goal Argonne National Laboratory (ANL) with the sponsorship of DOE Light Water Reactor Sustainability (LWRS) program is working on the development of a DT framework that can be used for real time environmental fatigue prediction of reactor components. The DT framework is based on limited experiment-data, Artificial-intelligence (AI) – Machine-Learning (ML) - Deep-Learning (DL) based techniques and Multiphysics-computational-mechanics such as finite element (FE) based modeling tools. Towards this overall goal, following are some of the major contributions made during the FY21: 1) Multiple 82/182 dissimilar metal weld (DMW) specimens (both solid-weld and joint-weld representing the actual reactor multi-metal nozzles) were fatigue tested. The resulting fatigue lives were compared to the NUREG-6909 based best-fit and design fatigue curves. Additionally, the results of 52/152 DMW fatigue specimens (which were recently tested at Republic of Korea under the sponsorship of International Nuclear Energy Research Initiative - INERI program) were compared to the NUREG-6909 based best-fit and design fatigue curves. From the comparison of 82/182 and 52/152 DMW test data with NUREG-6909 best-fit curve, most of the reported test data fall way away from the NUREG-6909 suggested best-fit or mean curve. The NUREG-6909 suggested best-fit curve is the best-fit curve of austenitic stainless steel and due to lack of enough data on Nickel-based welds, this is currently being used for predicting the life of Nickel-alloy-based welded components. However, the above observation may require higher scaling factor (e.g., ASME suggested factor of 20 on cycles rather than the current NUREG-6909 suggested factor of 12 on cycles) for scaling the austenitic-stainless-steel best-fit-curve for estimating the design or safe-life of a welded component. Accordingly, for example, if a DMW component experience a strain amplitude of 0.6% the PWR-water life of the component would be 52 cycles instead of 85 cycles. However, more DMW tests are required to further ascertain the above-mentioned observations. 2) A system level CAD and finite element model were developed which consists of reactor pressure vessel (RPV), part of steam generator (SG), part of pressurizer (PRZ), hot leg (HL), and surge line (SL). This is with detailed nozzle geometry and thermal-mechanical material properties of different metals to simulate realistic thermal-mechanical stress under connected system global thermal-mechanical boundary conditions. 3) Different system level heat transfer analyses were performed with estimation of relevant heat transfer coefficients. The resulting data were used in subsequent system level thermal-mechanical stress analysis and for generating spatial-temporal training and validation data for a system level digital-twin based temperature predictor. Transient heat transfer analyses were performed considering thermal boundary condition under design-basis (DB) loading and EDF (Électricité de France) data-based grid-load-following (EDF-GLF) loading cycles. 4) System level thermal-mechanical stress analysis was performed for identifying damage-prone hotspots and for future extension of the model for cyclic state prediction. From the system-level model simulation under DB loading cycle it is found that HL and the SL nozzle that connect to the HL can experience significant stress and strain and could be one of the weakest links in the overall reactor coolant system (RCS). 5) An AI/ML based DT model was developed for multi-time-series temperature prediction at any inside/outside thickness locations of PWR pressure boundary components. This is by using Recurrent-neural-network (RNN) and keras machine learning libraries. The RNN model was validated against two laboratory test-based data sets with one obtained through ANL’s in-air fatigue test system and other through PWR-water test loop. The experimentally validated DT model further validated against FE model results to predict thermal scarification related spatialtemporal temperatures at random locations of a component. The well validated DT model was then used for demonstrating spatial-temporal temperature prediction under 100+ years of reactor operation subjected to combined DB, EDF-GLF and randomized grid-load-following (RANDOMGLF) loading Cycles. The expert-elicitation DT model framework was developed assuming field/input/process measurements can be available from a few existing plant sensors and can readily be used by the NPP operators. The above temperature prediction model will feed to the next-step stress analysis model based on which the life of a component can be predicted in realtime, which is one of our future works.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Hyperspectral Infrared Observations of Arctic Snow, Sea Ice, and Non-Frozen Ocean from the RV Polarstern during the MOSAiC Expedition October 2019 to September 2020
This study highlights hyperspectral infrared observations from the Marine-Atmospheric Emitted Radiance Interferometer (M-AERI) collected as part of the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF) deployment on the icebreaker RV Polarstern during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition from October 2019 to September 2020. The ARM M-AERI directly measures the infrared radiance emission spectrum between 520 cm –1 and 3000 cm –1 (19.2–3.3 μm) at 0.5 cm –1 spectral resolution. These ship-based observations provide a valuable set of radiance data for the modeling of snow/ice infrared emission as well as validation data for the assessment of satellite soundings. Remote sensing using hyperspectral infrared observations provides valuable information on sea surface properties (skin temperature and infrared emissivity), near-surface air temperature, and temperature lapse rate in the lowest kilometer. Comparison of the M-AERI observations with those from the DOE ARM meteorological tower and downlooking infrared thermometer are generally in good agreement with some notable differences. Operational satellite soundings from the NOAA-20 satellite were also assessed using ARM radiosondes launched from the RV Polarstern and measurements of the infrared snow surface emission from the M-AERI showing reasonable agreement.
54 ENVIRONMENTAL SCIENCES↗
Design Optimization and Measurement Uncertainty of an Electromagnetic Level Sensor for Liquid Metal Reactors
Here, this article describes the design and operation of a prototype mutual inductance level sensor (MILS) and the development and validation of a finite-element analysis (FEA) model describing its behavior. The MILS was designed for use in liquid sodium up to temperatures of 650 °C in the Mechanisms Engineering Test Loop (METL) at Argonne National Laboratory (ANL). Preliminary testing was performed in a room temperature test stand with aluminum acting as an analog for the sodium to better understand sensor performance and provide accurate code validation data. This experimental data, along with material properties found in literature, were used to validate an FEA model in ANSYS Maxwell. The validated ANSYS Maxwell model was used to examine the performance of the MILS in various environments and under various operating conditions. Simulations suggest the following: The MILS will perform adequately in liquid sodium and liquid lead at temperatures up to 650 °C . The temperature dependence of electrical conductivity imposes a temperature dependence on the sensor that requires proper compensation. The MILS signal sensitivity is maximized when mutual inductance between sensor coils is maximized, and sensor geometry should be selected to account for this factor. The operating frequency of the MILS can be optimized and is dependent on process fluid material, operating temperature, and materials/geometry of sensor system. Finally, the use of a stainless-steel isolating thimble does not adversely affect the sensor signal. The primary sources of error for this MILS system are the accuracy of the calibration standard against which the sensor is calibrated, and the temperature dependence of the sensor. This work contains all the necessary details to recreate the FEA model and results. This model can be used to optimize the performance of a MILS in any operating environment to read any electrically conductive working fluid.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Preliminary Design of a New Pulsed-Neutron Die-Away Experimental Testbed for Thermal Scattering Law Benchmarks (PNDA) (IER-501 CED-1)
This report presents the preliminary design (CED-1) of IER-501, a new testbed for pulsed-neutron die-away (PNDA) experiments at Lawrence Livermore National Laboratory (LLNL). The PNDA experiments will be high-quality benchmarks that serve to optimize and validate thermal scattering laws (TSLs), which are high-priority nuclear data for the Department of Energy’s Criticality Safety Program (NCSP). PNDA experiments can be used to generate nuclear data validation benchmarks quickly and cheaply, as they do not require fissile material or a nuclear facility to conduct them.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗