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DOE OSTI2024

EchemAMR (electro-chemical microsctructure scale models with adaptive meshing) [SWR-23-111]

A 3D microstructure resolving electrochemical transport and interfacial chemistry solver. Electrode microstructure plays an important role in determining the performance of an electrochemical system, e.g. lithium ion battery. EchemAMR is a microstructure scale model that solves the governing equations for ion transport, electrical current continuity, interfacial chemistry and structural mechanics. Complex microstructure geometries from imaging can be directly imported into EchemAMR. A volume fraction based description of the geometry on Cartesian grid with an immersed interface formulation enables simplified meshing and large-scale simulations with millions of degrees of freedom. EchemAMR has been tested against systems with analytic solutions for numerical convergence and highly resolved lithium ion battery microstructures. EchemAMR demonstrates excellent mass conversation and efficient scaling on heterogenous High-Performance Computing (HPC) with central and graphics processing units.

Sitaraman, Hariswaran↗

NASA NTRS1999

Automatic Data Distribution for CFD Applications on Structured Grids

Data distribution is an important step in implementation of any parallel algorithm. The data distribution determines data traffic, utilization of the interconnection network and affects the overall code efficiency. In recent years a number data distribution methods have been developed and used in real programs for improving data traffic. We use some of the methods for translating data dependence and affinity relations into data distribution directives. We describe an automatic data alignment and placement tool (ADAPT) which implements these methods and show it results for some CFD codes (NPB and ARC3D). Algorithms for program analysis and derivation of data distribution implemented in ADAPT are efficient three pass algorithms. Most algorithms have linear complexity with the exception of some graph algorithms having complexity O(n(sup 4)) in the worst case.

Frumkin, Michael↗

DOE OSTI2023

Enabling attractive-repulsive potentials in binary-collision-approximation monte-carlo codes for ion-surface interactions

Abstract Binary Collision Approximation (BCA) codes for ion-material interactions, such as SRIM, Tridyn, F-TRIDYN, and SDtrimSP, have historically been limited to screened Coulomb potentials even at low energies due to the difficulty in numerically solving the Distance of Closest Approach (DOCA) problem for attractive-repulsive potentials. Techniques such as direct n-body simulation or modifications to Newton’s method are either prohibitively costly or not guaranteed to work for all potentials. Advanced rootfinding techniques, such as companion matrix solvers, offer a solution. For many attractive-repulsive potentials, however, a companion matrix cannot be used directly, because there is no way to put the associated functions into a monomial basis form. A complementary technique is proxy rootfinding—by finding the best-fit polynomial approximant of a function, the zeros of the approximant can be guaranteed to be close to the zeros of the function. Using the Chebyshev basis and grid offers additional guarantees with regards to the quality of the approximation, the speed of convergence, and the avoidance of Runge’s phenomenon. By finding Chebyshev interpolants and using the Chebyshev-Frobenius companion matrix, the zeros of any real function on a bounded domain can be found. Here we show that using an Adaptive Chebyshev Proxy Rootfinder with Automatic Subdivision (ACPRAS) with appropriate scaling functions, numerical issues presented by attractive-repulsive potentials, including those of scale, can be handled. Using these techniques, we show that it is possible to include any physically reasonable interatomic potential in a BCA code, and to guarantee correctness of the resulting scattering angle calculations.

Materials Science↗

DOE OSTI2020

The GGCMI Phase 2 emulators: global gridded crop model responses to changes in CO 2 , temperature, water, and nitrogen (version 1.0)

Statistical emulation allows combining advantageous features of statistical and process-based crop models for understanding the effects of future climate changes on crop yields. We describe here the development of emulators for nine process-based crop models and five crops using output from the Global Gridded Model Intercomparison Project (GGCMI) Phase 2. The GGCMI Phase 2 experiment is designed with the explicit goal of producing a structured training dataset for emulator development that samples across four dimensions relevant to crop yields: atmospheric carbon dioxide (CO2) concentrations, temperature, water supply, and nitrogen inputs (CTWN). Simulations are run under two different adaptation assumptions: that growing seasons shorten in warmer climates, and that cultivar choice allows growing seasons to remain fixed. The dataset allows emulating the climatological-mean yield response of all models with a simple polynomial in mean growing-season values. Climatological-mean yields are a central metric in climate change impact analysis; we show here that they can be captured without relying on interannual variations. In general, emulation errors are negligible relative to differences across crop models or even across climate model scenarios; errors become significant only in some marginal lands where crops are not currently grown. We demonstrate that the resulting GGCMI emulators can reproduce yields under realistic future climate simulations, even though the GGCMI Phase 2 dataset is constructed with uniform CTWN offsets, suggesting that the effects of changes in temperature and precipitation distributions are small relative to those of changing means. The resulting emulators therefore capture relevant crop model responses in a lightweight, computationally tractable form, providing a tool that can facilitate model comparison, diagnosis of interacting factors affecting yields, and integrated assessment of climate impacts.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

The GGCMI Phase 2 emulators: global gridded crop model responses to changes in CO2, temperature, water, and nitrogen (version 1.0)

James A Franke↗

NASA NTRS2014

Comparison Of Downscaled CMIP5 Precipitation Datasets For Projecting Changes In Extreme Precipitation In The San Francisco Bay Area.

Water resource managers planning for the adaptation to future events of extreme precipitation now have access to high resolution downscaled daily projections derived from statistical bias correction and constructed analogs. We also show that along the Pacific Coast the Northern Oscillation Index (NOI) is a reliable predictor of storm likelihood, and therefore a predictor of seasonal precipitation totals and likelihood of extremely intense precipitation. Such time series can be used to project intensity duration curves into the future or input into stormwater models. However, few climate projection studies have explored the impact of the type of downscaling method used on the range and uncertainty of predictions for local flood protection studies. Here we present a study of the future climate flood risk at NASA Ames Research Center, located in South Bay Area, by comparing the range of predictions in extreme precipitation events calculated from three sets of time series downscaled from CMIP5 data: 1) the Bias Correction Constructed Analogs method dataset downscaled to a 1/8 degree grid (12km); 2) the Bias Correction Spatial Disaggregation method downscaled to a 1km grid; 3) a statistical model of extreme daily precipitation events and projected NOI from CMIP5 models. In addition, predicted years of extreme precipitation are used to estimate the risk of overtopping of the retention pond located on the site through simulations of the EPA SWMM hydrologic model. Preliminary results indicate that the intensity of extreme precipitation events is expected to increase and flood the NASA Ames retention pond. The results from these estimations will assist flood protection managers in planning for infrastructure adaptations.

Storm↗

DOE OSTI2014

Final report on "Carbon Data Assimilation with a Coupled Ensemble Kalman Filter"

We proposed (and accomplished) the development of an Ensemble Kalman Filter (EnKF) approach for the estimation of surface carbon fluxes as if they were parameters, augmenting the model with them. Our system is quite different from previous approaches, such as carbon flux inversions, 4D-Var, and EnKF with approximate background error covariance (Peters et al., 2008). We showed (using observing system simulation experiments, OSSEs) that these differences lead to a more accurate estimation of the evolving surface carbon fluxes at model grid-scale resolution. The main properties of the LETKF-C are: a) The carbon cycle LETKF is coupled with the simultaneous assimilation of the standard atmospheric variables, so that the ensemble wind transport of the CO2 provides an estimation of the carbon transport uncertainty. b) The use of an assimilation window (6hr) much shorter than the months-long windows used in other methods. This avoids the inevitable “blurring” of the signal that takes place in long windows due to turbulent mixing since the CO2 does not have time to mix before the next window. In this development we introduced new, advanced techniques that have since been adopted by the EnKF community (Kang, 2009, Kang et al., 2011, Kang et al. 2012). These advances include “variable localization” that reduces sampling errors in the estimation of the forecast error covariance, more advanced adaptive multiplicative and additive inflations, and vertical localization based on the time scale of the processes. The main result has been obtained using the LETKF-C with all these advances, and assimilating simulated atmospheric CO2 observations from different observing systems (surface flask observations of CO2 but no surface carbon fluxes observations, total column CO2 from GoSAT/OCO-2, and upper troposphere AIRS retrievals). After a spin-up of about one month, the LETKF-C succeeded in reconstructing the true evolving surface fluxes of carbon at a model grid resolution. When applied to the CAM3.5 model, the LETKF gave very promising results as well, although only one month is available.

58 GEOSCIENCES↗

DOE OSTI2021

Challenges in simulating economic effects of climate change on global agricultural markets

Abstract Many approaches have been used to investigate climate change impacts on agriculture. However, several caveats remain in this field: (i) analyses focus only on a few major crops, (ii) large differences in yield impacts are observed between projections from site-based crops models and Global Gridded Crop Models (GGCMs), (iii) climate change impacts on livestock are rarely quantified, and (iv) several causal relations among biophysical, environmental, and socioeconomic aspects are usually not taken into account. We investigate how assumptions about these four aspects affect agricultural markets, food supply, consumer well-being, and land use at global level by deploying a large-scale socioeconomic model of the global economy with detailed representation of the agricultural sector. We find global welfare impacts several times larger when climate impacts all crops and all livestock compared to a scenario with impacts limited to major crops. At the regional level, food budget can decrease by 10 to 25% in developing countries, challenging food security. The role of land area expansion as a major source of adaptation is highlighted. Climate impacts on crop yields from site-based process crop models generate more challenging socioeconomic outcomes than those from GGCMs. We conclude that the agricultural research community should expand efforts to estimate climate impacts on many more crops and livestock. Also, careful comparison of the GGCMs and traditional site-based process crop models is needed to understand their major implications for agricultural and food markets.

Gurgel, Angelo C. (ORCID:0000000183319508)↗

DOE OSTI2024

Application of the AI2 Climate Emulator to E3SMv2's Global Atmosphere Model, With a Focus on Precipitation Fidelity

Abstract Can the current successes of global machine learning‐based weather simulators be generalized beyond 2‐week forecasts to stable and accurate multiyear runs? The recently developed AI2 Climate Emulator (ACE) suggests this is feasible, based upon 10‐year simulations with a network trained on output from a physics‐based global atmosphere model using a grid spacing of approximately 110 km and forced by a repeating annual cycle of sea‐surface temperature. Here we show that ACE, without modification, can be trained to emulate another major atmospheric model, EAMv2, run at a comparable grid spacing for at least 10 years with similarly small climate biases—a prerequisite to wider applicability. With an analysis that combines multiple temporal, spatial, and frequency domain perspectives, we show that ACE faithfully represents the spatiotemporal structure of EAMv2 precipitation and related variables. Finally, we show that a pretrained ACE network is able to adapt to a new global climate model simulation data set with 10 fewer training steps than when starting from random initialization, all while still maintaining low levels of climate bias. Further analysis of these fine‐tuning experiments reveal ACE's intriguing ability to interpolate between distinct global climate models.

Duncan, James P. C.↗

DOE OSTI2015

Guest Editorial Introduction to the Special Issue on 'Advanced Signal Processing Techniques and Telecommunications Network Infrastructures for Smart Grid Analysis, Monitoring, and Management'

Electrical power systems are undergoing a radical change in structure, components, and operational paradigms, and are progressively approaching the new concept of smart grids (SGs). Future power distribution systems will be characterized by the simultaneous presence of various distributed resources, such as renewable energy systems (i.e., photovoltaic power plant and wind farms), storage systems, and controllable/non-controllable loads. Control and optimization architectures will enable network-wide coordination of these grid components in order to improve system efficiency and reliability and to limit greenhouse gas emissions. In this context, the energy flows will be bidirectional from large power plants to end users and vice versa; producers and consumers will continuously interact at different voltage levels to determine in advance the requests of loads and to adapt the production and demand for electricity flexibly and efficiently also taking into account the presence of storage systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2012

NASA Tech Briefs, August 2012

Topics covered include: Mars Science Laboratory Drill; Ultra-Compact Motor Controller; A Reversible Thermally Driven Pump for Use in a Sub-Kelvin Magnetic Refrigerator; Shape Memory Composite Hybrid Hinge; Binding Causes of Printed Wiring Assemblies with Card-Loks; Coring Sample Acquisition Tool; Joining and Assembly of Bulk Metallic Glass Composites Through Capacitive Discharge; 670-GHz Schottky Diode-Based Subharmonic Mixer with CPW Circuits and 70-GHz IF; Self-Nulling Lock-in Detection Electronics for Capacitance Probe Electrometer; Discontinuous Mode Power Supply; Optimal Dynamic Sub-Threshold Technique for Extreme Low Power Consumption for VLSI; Hardware for Accelerating N-Modular Redundant Systems for High-Reliability Computing; Blocking Filters with Enhanced Throughput for X-Ray Microcalorimetry; High-Thermal-Conductivity Fabrics; Imidazolium-Based Polymeric Materials as Alkaline Anion-Exchange Fuel Cell Membranes; Electrospun Nanofiber Coating of Fiber Materials: A Composite Toughening Approach; Experimental Modeling of Sterilization Effects for Atmospheric Entry Heating on Microorganisms; Saliva Preservative for Diagnostic Purposes; Hands-Free Transcranial Color Doppler Probe; Aerosol and Surface Parameter Retrievals for a Multi-Angle, Multiband Spectrometer LogScope; TraceContract; AIRS Maps from Space Processing Software; POSTMAN: Point of Sail Tacking for Maritime Autonomous Navigation; Space Operations Learning Center; OVERSMART Reporting Tool for Flow Computations Over Large Grid Systems; Large Eddy Simulation (LES) of Particle-Laden Temporal Mixing Layers; Projection of Stabilized Aerial Imagery Onto Digital Elevation Maps for Geo-Rectified and Jitter-Free Viewing; Iterative Transform Phase Diversity: An Image-Based Object and Wavefront Recovery; 3D Drop Size Distribution Extrapolation Algorithm Using a Single Disdrometer; Social Networking Adapted for Distributed Scientific Collaboration; General Methodology for Designing Spacecraft Trajectories; Hemispherical Field-of-View Above-Water Surface Imager for Submarines; and Quantum-Well Infrared Photodetector (QWIP) Focal Plane Assembly.

Source record↗

DOE OSTI2014

Ramping and Uncertainty Prediction Tool - Analysis and Visualization of Wind Generation Impact on Electrical Grid

RUT software is designed for use by the Balancing Authorities to predict and display additional requirements caused by the variability and uncertainty in load and generation. The prediction is made for the next operating hours as well as for the next day. The tool predicts possible deficiencies in generation capability and ramping capability. This deficiency of balancing resources can cause serious risks to power system stability and also impact real-time market energy prices. The tool dynamically and adaptively correlates changing system conditions with the additional balancing needs triggered by the interplay between forecasted and actual load and output of variable resources. The assessment is performed using a specially developed probabilistic algorithm incorporating multiple sources of uncertainty including wind, solar and load forecast errors. The tool evaluates required generation for a worst case scenario, with a user-specified confidence level.

Etingov, Pavel↗

NASA NTRS1974

Eight-cm mercury ion thruster system technology

The technology status of 8 cm diameter electron bombardment ion thrusters is presented. Much of the technology resulting from the 5 cm diameter thruster has been adapted and improved upon to increase the reliability, durability, and efficiency of the 8 cm thruster. Technology discussed includes: dependence of neutralizer tip erosion upon neutralizer flow rate; impregnated and rolled-foil insert cathode performance and life testing; neutralizer position studies; thruster ion beam profile measurements; high voltage pulse ignition; high utilization ion machined accelerator grids; deposition internal and external to the thruster; thruster vectoring systems; thruster cycling life testing and thruster system weights for typical mission applications.

Source record↗

NASA NTRS1974

8-cm mercury ion thruster system technology

The technology status of 8-cm diameter electron bombardment ion thrusters is presented. Much of the technology resulting from the 5-cm diameter thruster has been adapted and improved upon to increase the reliability, durability, and efficiency of the 8-cm thruster. Technology discussed includes: dependence of neutralizer tip erosion upon neutralizer flow rate; impregnated and rolled-foil insert cathode performance and life testing; neutralizer position studies; thruster ion beam profile measurements; high voltage pulse ignition; high utilization ion machined accelerator grids; deposition internal and external to the thruster; thruster vectoring systems; thruster cycling life testing and thruster system weights for typical mission applications.

Source record↗

DOE OSTI2019

Flood Inundation Generation Mechanisms and Their Changes in 1953-2004 in Global Major River Basins

Despite the serious threats posed by floods, the driving mechanisms of floods are still not well understood. Here, we apply a physically-based inundation model coupled with a river routing model (Model for Scale Adaptive River Transport, MOSART) within the Energy Exascale Earth System Model (E3SM) framework to investigate flood inundation dynamics. After calibration using observed streamflow and satellite-derived flood extent, the model is used to simulate global flood inundation from 1953 to 2004. The mean date and seasonality of annual maximum flood, defined based on flood extent, exhibit significant regional differences across 16 major basins. Generally, soil moisture and monthly maximum daily rainfall (MMR) are the dominant drivers of flood in tropical basins while monthly maximum daily snowmelt (MMS) is the dominant driver in high latitude basins. From 1953-1982 to 1975-2004, significant changes in flood generation mechanisms are found in some basins such as Amazon, Lena, Yenisey, and Kolyma. Analysis of the rainfall seasonality and water balance at grid scale reveals a stronger rainfall seasonality in the Amazon during the later period that increases the synchrony between extreme rainfall and wet soil. With high antecedent soil moisture coinciding with rainfall, MMR contributes more to flood in the later period. Fewer extreme rainfall events and increasing soil moisture reduced the contribution of MMR and increased the role of MMS in floods in the Lena and Yenisey basins, respectively. Lastly, increased soil moisture and frequency of large MMS reduced the contribution of the latter to floods in the Kolyma basin.

Mao, Yuna↗

DOE OSTI2016

Sparse-grid, reduced-basis Bayesian inversion: Nonaffine-parametric nonlinear equations

We extend the reduced basis (RB) accelerated Bayesian inversion methods for affine-parametric, linear operator equations which are considered in [16,17] to non-affine, nonlinear parametric operator equations. We generalize the analysis of sparsity of parametric forward solution maps in [20] and of Bayesian inversion in [48,49] to the fully discrete setting, including Petrov–Galerkin high-fidelity (“HiFi”) discretization of the forward maps. We develop adaptive, stochastic collocation based reduction methods for the efficient computation of reduced bases on the parametric solution manifold. The nonaffinity and nonlinearity with respect to (w.r.t.) the distributed, uncertain parameters and the unknown solution is collocated; specifically, by the so-called Empirical Interpolation Method (EIM). For the corresponding Bayesian inversion problems, computational efficiency is enhanced in two ways: first, expectations w.r.t. the posterior are computed by adaptive quadratures with dimension-independent convergence rates proposed in [49]; the present work generalizes [49] to account for the impact of the PG discretization in the forward maps on the convergence rates of the Quantities of Interest (QoI for short). Second, we propose to perform the Bayesian estimation only w.r.t. a parsimonious, RB approximation of the posterior density. Based on the approximation results in [49], the infinite-dimensional parametric, deterministic forward map and operator admit N-term RB and EIM approximations which converge at rates which depend only on the sparsity of the parametric forward map. In several numerical experiments, the proposed algorithms exhibit dimension-independent convergence rates which equal, at least, the currently known rate estimates for N-term approximation. We propose to accelerate Bayesian estimation by first offline construction of reduced basis surrogates of the Bayesian posterior density. The parsimonious surrogates can then be employed for online data assimilation and for Bayesian estimation. They also open a perspective for optimal experimental design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Enabling Floating Solar Photovoltaic (FPV) Deployment: Review of Barriers to FPV Deployment in Southeast Asia

The purpose of this report is to improve understanding of the policy landscape for FPV systems and identify potential pathways to create an enabling policy and regulatory environment FPV systems in Southeast Asia. In this literature review, we discuss the case for FPVs in Southeast Asia by presenting the energy context and state of the grid in select Southeast Asia countries and conduct a literature review of existing and potential non-technical barriers to FPV deployment, concluding with potential policy pathways to address some of the barriers identified. Given the lack of extensive literature on the policy and regulatory environment for FPVs and the similarity with other RE technologies, this review adapts lessons from other RE technologies to the FPV context.

14 SOLAR ENERGY↗

NASA NTRS1994

A grid generation and flow solution method for the Euler equations on unstructured grids

A grid generation and flow solution algorithm for the Euler equations on unstructured grids is presented. The grid generation scheme utilizes Delaunay triangulation and self-generates the field points for the mesh based on cell aspect ratios and allows for clustering near solid surfaces. The flow solution method is an implicit algorithm in which the linear set of equations arising at each time step is solved using a Gauss Seidel procedure which is completely vectorizable. In addition, a study is conducted to examine the number of subiterations required for good convergence of the overall algorithm. Grid generation results are shown in two dimensions for a National Advisory Committee for Aeronautics (NACA) 0012 airfoil as well as a two-element configuration. Flow solution results are shown for two-dimensional flow over the NACA 0012 airfoil and for a two-element configuration in which the solution has been obtained through an adaptation procedure and compared to an exact solution. Preliminary three-dimensional results are also shown in which subsonic flow over a business jet is computed.

Anderson, W. Kyle↗