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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Accelerated Simulation of Air Pollution Using NVIDIA RAPIDS

Atmospheric chemistry models are a central tool to study and forecast the impact of air pollution on the environment, vegetation, and human health. However, the numerical simulation of chemical kinetics is computationally expensive due to the stiffness of the system of ordinary differential equations that describes atmospheric chemistry. Here we present an alternative approach to the computation of atmospheric chemistry based on machine learning. Our training data set is produced using the NASA Goddard Earth Observing System (GEOS) model with GEOS-Chem chemistry, run on the NASA Center for Climate Simulation (NCCS) Discover supercomputing cluster on 384 Intel Xeon Haswell cores. This model spends more than 50% of total run time on solving atmospheric chemistry. The data set contains as input features the air pollution concentrations before solving the differential equations, together with some key physical parameters such as temperature and sun intensity. As target variables we define the air pollution concentrations after solving the differential equations. Using Dask-cuDF and Dask-XGBoost on the NVIDIA RAPIDS platform on 8 Tesla V100 GPUs, we generate from this training set gradient boosted decision tree models that can reproduce the simulation of chemical kinetics. We do this on the NCCS Advanced Data Analytics Platform (ADAPT) science cloud environment. Our application takes full advantage of recent advances in Dask-XGBoost, such as multi-node and multi-GPU scaling for distributed training with large data sets. The increase in training data size enabled by this is critical to capture the full range of chemical environments encountered across the globe and all annual seasons.The boosted tree models offer good predictability and show many of the features of the full chemistry reference simulation. Further improvements can be achieved through mass balance considerations and by accounting for error correlations. We incorporate the boosted tree models into the GEOS reference model using XGBoost's C API. This enables a seamless integration of the GPU trained models into GEOS-Chem, which is written in Fortran and optimized for use in a massively parallel CPU environment. We show the benefits of this approach and discuss the potential speedup of this machine learning accelerated atmospheric chemistry model.

Keller, Christoph A.↗
DOE OSTI2018

Final Report: Optimal Model Complexity in Geological Carbon Sequestration: A Response Surface Uncertainty Analysis

The critical component of a risk assessment study in evaluating GCS is an analysis of uncertainty in CO2 modeling. In such analyses, direct numerical simulation of CO2 flow and leakage requires many time-consuming model runs. Alternatively, analytical methods have been developed which allow fast and efficient estimation of CO2 storage and leakage, although restrictive assumptions on formation rock and fluid properties are employed. In this study, an intermediate approach is proposed based on the Design of Experiment and Response Surface methodology, which consists of using a limited number of numerical simulations to estimate a prediction outcome as a combination of the most influential uncertain site properties. The methodology can be implemented within a Monte Carlo framework to efficiently assess parameter and prediction uncertainty while honoring the accuracy of numerical simulations. The choice of the uncertain properties is flexible and can include geologic parameters that influence reservoir heterogeneity, engineering parameters that influence gas trapping and migration, and reactive parameters that influence the extent of fluid/rock reactions. The method was tested and verified on modeling long-term CO2 flow, non-isothermal heat transport, and CO2 dissolution storage by coupling two-phase flow with explicit miscibility calculation using an accurate equation of state that gives rise to convective mixing of formation brine variably saturated with CO2. All simulations were performed using three-dimensional high-resolution models including a target deep saline aquifer, overlying caprock, and a shallow aquifer. To evaluate the uncertainty in representing reservoir permeability, sediment hierarchy of a heterogeneous digital stratigraphy was mapped to create multiple irregularly shape stratigraphic models of decreasing geologic resolutions: heterogeneous (reference), lithofacies, depositional environment, and a (homogeneous) geologic formation. To ensure model equivalency, all the stratigraphic models were successfully upscaled from the reference heterogeneous model for bulk flow and transport predictions (Zhang & Zhang, 2015). GCS simulation was then simulated with all models, yielding insights into the level of parameterization complexity that is needed for the accurate simulation of reservoir pore pressure, CO2 storage, leakage, footprint, and dissolution over both short (i.e., injection) and longer (monitoring) time scales. Important uncertainty parameters that impact these key performance metrics were identified for the stratigraphic models as well as for the heterogeneous model, leading to the development of reduced/simplified models at lower characterization cost that can be used for the reservoir uncertainty analysis. All the CO2 modeling was conducted using PFLOTRAN – a massively parallel, multiphase, multi-component, and reactive transport simulator developed by a multi-laboratory DOE/SciDAC (Scientific Discovery through Advanced Computing) project (Zhang et al., 2017, in review). Within the uncertainty analysis framework, increasing reservoir depth were investigated to explore its effect on the uncertainty outcomes and the potential for developing gravity-stable injection with increased storage security (Dai et al., 20126; Dai et al., 2017, in review). Finally, to accurately model CO2 fluid-rock reactions and resulting long-term storage as secondary carbonate minerals, a modified kinetic rate law for general mineral dissolution and precipitation was proposed and verified that is invariant to a scale transformation of the mineral formula weight. This new formulation will lead to more accurate assessment of mineral storage over geologic time scales (Lichtner, 2016).

58 GEOSCIENCES↗
NASA NTRS1988

Evaluation and applicability of transfinite element formulations with particular reference to radiation

The evaluation and applicability of hybrid transfinite element formulations are described for transient nonlinear thermal models with particular reference to account for radiation effects. The formulations are developed from basic concepts and evaluated for both one- and two-dimensional thermal models. The methodology presented is a hybrid approach as it combines finite elements, classical Galerkin schemes, and transform methods. Basic features of the hybrid formulations and the associated solution scheme used are first described. Therein, numerical test models are presented to evaluate the applicability for predicting the nonlinear transient response in one- and two-dimensional thermal models influenced due to radiation effects.

Tamma, Kumar K.↗
DOE OSTI2014

High-speed spiral imaging technique for an atomic force microscope using a linear quadratic Gaussian controller

This paper demonstrates a high-speed spiral imaging technique for an atomic force microscope (AFM). As an alternative to traditional raster scanning, an approach of gradient pulsing using a spiral line is implemented and spirals are generated by applying single-frequency cosine and sine waves of slowly varying amplitudes to the X and Y-axes of the AFM’s piezoelectric tube scanner (PTS). Due to these single-frequency sinusoidal input signals, the scanning process can be faster than that of conventional raster scanning. A linear quadratic Gaussian controller is designed to track the reference sinusoid and a vibration compensator is combined to damp the resonant mode of the PTS. An internal model of the reference sinusoidal signal is included in the plant model and an integrator for the system error is introduced in the proposed control scheme. As a result, the phase error between the input and output sinusoids from the X and Y-PTSs is reduced. The spirals produced have particularly narrow-band frequency measures which change slowly over time, thereby making it possible for the scanner to achieve improved tracking and continuous high-speed scanning rather than being restricted to the back and forth motion of raster scanning. As part of the post-processing of the experimental data, a fifth-order Butterworth filter is used to filter noises in the signals emanating from the position sensors and a Gaussian image filter is used to filter the images. A comparison of images scanned using the proposed controller (spiral) and the AFM PI controller (raster) shows improvement in the scanning rate using the proposed method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Computer Modeling and Simulation: Increasing Reliability by Disentangling Verification and Validation

Verification and validation (V&V) of computer codes and models used in simulations are two aspects of the scientific practice of high importance that recently have been discussed widely by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to the model’s relation to the real world and its intended use. Because complex simulations are generally opaque to a practitioner, the Duhem problem can arise with verification and validation due to their entanglement; such an entanglement makes it impossible to distinguish whether a coding error or the model’s general inadequacy to its target should be blamed in the case of a failure. I argue that a clear distinction between computer modeling and simulation has to be made to disentangle verification and validation. Drawing on that distinction, I suggest to associate modeling with verification and simulation, which shares common epistemic strategies with experimentation, with validation. To explain the reasons for their entanglement in practice, I propose a Weberian ideal–typical model of modeling and simulation as roles in practice. I examine an approach to mitigate the Duhem problem for verification and validation that is generally applicable in practice and is based on differences in epistemic strategies and scopes. Based on this analysis, I suggest two strategies to increase the reliability of simulation results, namely, avoiding alterations of verified models at the validation stage as well as performing simulations of the same target system using two or more different models. In response to Winsberg’s claim that verification and validation are entangled I argue that deploying the methodology proposed in this work it is possible to mitigate inseparability of V&V in many if not all domains where modeling and simulation are used.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Reference Manual for the System Advisor Model's Wind Power Performance Model

This manual describes the National Renewable Energy Laboratory's System Advisor Model (SAM) wind power performance model. The model calculates the hourly electrical output of a single wind turbine or of a wind farm. The wind power performance model requires information about the wind resource, wind turbine specifications, wind farm layout (if applicable), and costs. In SAM, the performance model can be coupled to one of the financial models to calculate economic metrics for residential, commercial, or utility-scale wind projects. This manual describes the algorithms used by the wind power performance model, which is available in the SAM user interface and as part of the SAM Simulation Core (SSC) library, and is intended to supplement the user documentation that comes with the software.

17 WIND ENERGY↗
DOE OSTI2012

A framework for benchmarking land models

Land models, which have been developed by the modeling community in the past few decades to predict future states of ecosystems and climate, have to be critically evaluated for their performance skills of simulating ecosystem responses and feedback to climate change. Benchmarking is an emerging procedure to measure performance of models against a set of defined standards. This paper proposes a benchmarking framework for evaluation of land model performances and, meanwhile, highlights major challenges at this infant stage of benchmark analysis. The framework includes (1) targeted aspects of model performance to be evaluated, (2) a set of benchmarks as defined references to test model performance, (3) metrics to measure and compare performance skills among models so as to identify model strengths and deficiencies, and (4) model improvement. Land models are required to simulate exchange of water, energy, carbon and sometimes other trace gases between the atmosphere and land surface, and should be evaluated for their simulations of biophysical processes, biogeochemical cycles, and vegetation dynamics in response to climate change across broad temporal and spatial scales. Thus, one major challenge is to select and define a limited number of benchmarks to effectively evaluate land model performance. The second challenge is to develop metrics of measuring mismatches between models and benchmarks. The metrics may include (1) a priori thresholds of acceptable model performance and (2) a scoring system to combine data–model mismatches for various processes at different temporal and spatial scales. The benchmark analyses should identify clues of weak model performance to guide future development, thus enabling improved predictions of future states of ecosystems and climate. The near-future research effort should be on development of a set of widely acceptable benchmarks that can be used to objectively, effectively, and reliably evaluate fundamental properties of land models to improve their prediction performance skills.

Biophysical Processes↗
NASA NTRS1989

Intensive MHD-structures penetration in the middle atmosphere initiated in the ionospheric cusp under quiet geomagnetic conditions

In connection with the recently detected quasiperiodical magnetic disturbances in the ionospheric cusp, the penetration of compressional surface magnetohydrodynamic (MHD) waves through the middle atmosphere is modelled numerically. For the COSPAR International Reference Atmosphere (CIRA) 72 model the respective energy density flux of the disturbances in the middle atmosphere is determined. On the basis of the developed model certain conclusions are reached about the height distribution of the structures (energy losses, currents, etc.) initiated by intensive magnetic cusp disturbances.

Mateev, L. N.↗
NASA NTRS1988

Parameter identification of material constants in a composite shell structure

One of the basic requirements in engineering analysis is the development of a mathematical model describing the system. Frequently comparisons with test data are used as a measurement of the adequacy of the model. An attempt is typically made to update or improve the model to provide a test verified analysis tool. System identification provides a systematic procedure for accomplishing this task. The terms system identification, parameter estimation, and model correlation all refer to techniques that use test information to update or verify mathematical models. The goal of system identification is to improve the correlation of model predictions with measured test data, and produce accurate, predictive models. For nonmetallic structures the modeling task is often difficult due to uncertainties in the elastic constants. A finite element model of the shell was created, which included uncertain orthotropic elastic constants. A modal survey test was then performed on the shell. The resulting modal data, along with the finite element model of the shell, were used in a Bayes estimation algorithm. This permitted the use of covariance matrices to weight the confidence in the initial parameter values as well as confidence in the measured test data. The estimation procedure also employed the concept of successive linearization to obtain an approximate solution to the original nonlinear estimation problem.

Martinez, David R.↗
NASA NTRS2013

Reference Controls Methodologies for Large Structural Models at Kennedy Space Center

This presentation will discuss the methodology behind Model Class Definition--the use of separate model assemblies of the same product, at different fidelities, driven by the same skeleton files. These fidelities can be used to convey only the detail that the end user needs, by allowing the end user to pick and choose between model classes for assembly creation. The usefulness of MPA for the Windchill Release Process will be demonstrated, along with its usefulness in minimizing CPU resources during design. The presentation will include an overview the ML product, how to structure complex products in a flexible modular architecture, and how to maximize system resources.

Jones, Corey↗
NASA NTRS2019

White Paper: Gateway Destination Orbit Model: A Continuous 15 Year NRHO Reference Trajectory

The Gateway program has selected a Near-Rectilinear Halo Orbit (NRHO) of the L2 southern family as its operational orbit. In order to facilitate mission analysis for Gateway and associated programs utilizing this orbit, a representative reference trajectory 15 years in duration has been developed. The purpose of this white paper is to review the properties of this NRHO reference trajectory.

lunar synodic resonant↗
NASA NTRSDate not supplied

Flux Comparison of Master-8 And Ordem 3.1 Modelled Space Debris Population

In this paper, the modelled debris fluxes by ESA’s Meteoroid And Space debris Terrestrial Environment Reference (MASTER-8) model and NASA’s Orbital Debris Engineering Model (ORDEM) 3.1 are compared. At first, the basic modelling approaches for both models are presented to explain the fundamentally different model philosophies and help the reader to comprehend and interpret the obtained results. Then, the flux results of both models for three different orbits are presented and analysed. They are discussed and set into perspective. A conclusion is drawn at the end of the paper, highlighting the ongoing cooperation of both agencies responsible for their models.

Andre Horstmann↗
DOE OSTI2017

Optimal Power Flow in Multiphase Radial Networks with Delta Connections: Preprint

This paper focuses on multiphase radial distribution networks with mixed wye and delta connections, and proposes a semidefinite relaxation of the AC optimal power flow (OPF) problem. Two multiphase power-flow models are developed to facilitate the integration of delta-connected generation units/loads in the OPF problem. The first model extends traditional branch flow models - and it is referred to as extended branch flow model (EBFM). The second model leverages a linear relationship between per-phase power injections and delta connections, which holds under a balanced voltage approximation (BVA). Based on these models, pertinent OPF problems are formulated and relaxed to semidefinite programs (SDPs). Numerical studies on IEEE test feeders show that SDP relaxations can be solved efficiently by a generic optimization solver. Numerical evidences indicate that solving the resultant SDP under BVA is faster than under EBFM. Moreover, both SDP solutions are numerically exact with respect to voltages and branch flows. It is also shown that the SDP solution under BVA has a small optimality gap, while the BVA model is accurate in the sense that it reflects actual system voltages.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2003

Ice-Accretion Scaling Using Water-Film Thickness Parameters

Studies were performed at INTA in Spain to determine water-film thickness on a stagnation-point probe inserted in a simulated cloud. The measurements were correlated with non-dimensional parameters describing the flow and the cloud conditions. Icing scaling tests in the NASA Glenn Icing Research Tunnel were then conducted using the Ruff scaling method with the scale velocity found by matching scale and reference values of either the INTA non-dimensional water-film thickness or a Weber number based on that film thickness. For comparison, tests were also performed using the constant drop-size Weber number and the average-velocity methods. The reference and scale models were both aluminum, 61-cm-span, NACA 0012 airfoil sections at 0 deg. AOA. The reference had a 53-cm-chord and the scale, 27 cm (1/2 size). Both models were mounted vertically in the center of the IRT test section. Tests covered a freezing fraction range of 0.28 to 1.0. Rime ice (n = 1.0) tests showed the consistency of the IRT calibration over a range of velocities. At a freezing fraction of 0.76, there was no significant difference in the scale ice shapes produced by the different methods. For freezing fractions of 0.40, 0.52 and 0.61, somewhat better agreement with the reference horn angles was typically achieved with the average-velocity and constant-film thickness methods than when either of the two Weber numbers was matched to the reference value. At a freezing fraction of 0.28, the four methods were judged equal in providing simulations of the reference shape.

Anderson, David N.↗
DOE OSTI2013

Pediatric radiation dosimetry for positron-emitting radionuclides using anthropomorphic phantoms

Purpose: Positron emission tomography (PET) plays an important role in the diagnosis, staging, treatment, and surveillance of clinically localized diseases. Combined PET/CT imaging exhibits significantly higher sensitivity, specificity, and accuracy than conventional imaging when it comes to detecting malignant tumors in children. However, the radiation dose from positron-emitting radionuclide to the pediatric population is a matter of concern since children are at a particularly high risk when exposed to ionizing radiation.Methods: The authors evaluate the absorbed fractions and specific absorbed fractions (SAFs) of monoenergy photons/electrons as well as S-values of 9 positron-emitting radionuclides (C-11, N-13, O-15, F-18, Cu-64, Ga-68, Rb-82, Y-86, and I-124) in 48 source regions for 10 anthropomorphic pediatric hybrid models, including the reference newborn, 1-, 5-, 10-, and 15-yr-old male and female models, using the Monte Carlo N-Particle eXtended general purpose Monte Carlo transport code.Results: The self-absorbed SAFs and S-values for most organs were inversely related to the age and body weight, whereas the cross-dose terms presented less correlation with body weight. For most source/target organ pairs, Rb-82 and Y-86 produce the highest self-absorbed and cross-absorbed S-values, respectively, while Cu-64 produces the lowest S-values because of the low-energy and high-frequency of electron emissions. Most of the total self-absorbed S-values are contributed from nonpenetrating particles (electrons and positrons), which have a linear relationship with body weight. The dependence of self-absorbed S-values of the two annihilation photons varies to the reciprocal of 0.76 power of the mass, whereas the self-absorbed S-values of positrons vary according to the reciprocal mass.Conclusions: The produced S-values for common positron-emitting radionuclides can be exploited for the assessment of radiation dose delivered to the pediatric population from various PET radiotracers used in clinical and research settings. The mass scaling method for positron-emitters can be used to derive patient-specific S-values from data of reference phantoms.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Ellipsoidal Fitting Methodology for Defect Clusters in Gallium Arsenide

In assessing the initial spatial distribution of defects from neutron or heavy ion irradiation, it is useful to have a reliable, automated, and fast-running tool to evaluate characteristic metrics such as the number of sub-clusters or the overall cluster volume. The latter metric, for instance, can be utilized to estimate a reference neutron fluence level at which inter-cluster interaction effects begin to become significant. This paper details a methodology to fit an arbitrarily complex defect map with a set of ellipsoids (one per identified sub-cluster) in which the constituent defects of a sub-cluster are determined using fuzzy degree-of-membership analysis. Specifically, a parameterized model is developed for point defects in gallium arsenide. Cluster volume calculations based on the model are compared against convex hull and single- ellipsoid representations. Results show that the parameterized sub-cluster model begins to deviate from the two reference models at a recoil energy of about 100 keV in GaAs, with the convex hull and single-ellipsoid representations increasingly overestimating the volume thereafter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

ZPPR-15 Criticality Measurements

A reference critical configuration was established for each phase of the ZPPR-15 experimental program. The reference critical configuration for each phase corresponds to a configuration in which the measured excess reactivity was adjusted to a standard set of reporting conditions with an average reactor temperature of 293 K, a zero interface gap and all operational control rods parked 30 inches from the axial centerline of the core. The ZPPR staff published the measured excess reactivity and the statistical uncertainty in the measurement. In reality, the published uncertainty for each reference critical configuration is only a small component of the total uncertainty for that configuration. Additional uncertainties related measurement technique, configuration geometry and material compositions exist. The geometry and material composition uncertainties are the dominant uncertainties for ZPPR-15. A full uncertainty analysis was performed for each ZPPR-15 reference critical configuration. The significant uncertainties related to measurement technique, configuration geometry and material compositions were quantified, and a total uncertainty was derived for each reference critical configuration. The ZPPR-15 experimental records were used to create detailed as-built Monte Carlo models for the reference critical configurations established in ZPPR-15A loading 15, ZPPR-15B loading 88, ZPPR-15C loading 166 and ZPPR-15D loading 185. The as-built models neglect the small, non-uniform gap between matrix halves at full closure, any structures outside the matrix tubes and minor components, e.g., impurities, in some materials. The biases associated with the neglected items were quantified. The experimental value of keff and its associated uncertainty for each reference critical configuration were adjusted to account for biases introduced by items that are neglected in the as-built model for that configuration.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗