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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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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SIMULATIONS OF A DYNAMIC SOLAR CYCLE AND ITS EFFECTS ON THE INTERSTELLAR BOUNDARY EXPLORER RIBBON AND GLOBALLY DISTRIBUTED ENERGETIC NEUTRAL ATOM FLUX

Since 2009, observations by the Interstellar Boundary Explorer (IBEX) have vastly improved our understanding of the interaction between the solar wind (SW) and local interstellar medium through direct measurements of energetic neutral atoms (ENAs), which inform us about the heliospheric conditions that produced them. An enhanced feature of flux in the sky, the so-called IBEX ribbon, was not predicted by any global models before the first IBEX observations. A dominating theory of the origin of the ribbon, although still under debate, is a secondary charge-exchange process involving secondary ENAs originating from outside the heliopause. According to this mechanism, the evolution of the solar cycle should be visible in the ribbon flux. Therefore, in this paper we simulate a fully time-dependent ribbon flux, as well as globally distributed flux from the inner heliosheath (IHS), using time-dependent SW parameters from Sokół et al. as boundary conditions for our time-dependent heliosphere simulation. After post-processing the results to compute H ENA fluxes, our results show that the secondary ENA ribbon indeed should be time dependent, evolving with a period of approximately 11 yr, with differences depending on the energy and direction. Our results for the IHS flux show little periodic change with the 11 yr solar cycle, but rather with short-term fluctuations in the background plasma. While the secondary ENA mechanism appears to emulate several key characteristics of the observed IBEX ribbon, it appears that our simulation does not yet include all of the relevant physics that produces the observed ribbon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

An efficient algorithm for simulating ensembles of parameterized flow problems

Abstract Many applications of computational fluid dynamics require multiple simulations of a flow under different input conditions. In this paper, a numerical algorithm is developed to efficiently determine a set of such simulations in which the individually independent members of the set are subject to different viscosity coefficients, initial conditions and/or body forces. The proposed scheme, when applied to the flow ensemble, needs to solve a single linear system with multiple right-hand sides, and thus is computationally more efficient than solving for all the simulations separately. We show that the scheme is nonlinearly and long-term stable under certain conditions on the time-step size and a parameter deviation ratio. A rigorous numerical error estimate shows the scheme is of first-order accuracy in time and optimally accurate in space. Several numerical experiments are presented to illustrate the theoretical results.

Mathematics↗
DOE OSTI2022

The DESI N -body Simulation Project – II. Suppressing sample variance with fast simulations

ABSTRACT Dark Energy Spectroscopic Instrument (DESI) will construct a large and precise three-dimensional map of our Universe. The survey effective volume reaches $\sim 20\, h^{-3}\, \mathrm{Gpc}^{3}$. It is a great challenge to prepare high-resolution simulations with a much larger volume for validating the DESI analysis pipelines. AbacusSummit is a suite of high-resolution dark-matter-only simulations designed for this purpose, with $200\, h^{-3}\, \mathrm{Gpc}^{3}$ (10 times DESI volume) for the base cosmology. However, further efforts need to be done to provide a more precise analysis of the data and to cover also other cosmologies. Recently, the CARPool method was proposed to use paired accurate and approximate simulations to achieve high statistical precision with a limited number of high-resolution simulations. Relying on this technique, we propose to use fast quasi-N-body solvers combined with accurate simulations to produce accurate summary statistics. This enables us to obtain 100 times smaller variance than the expected DESI statistical variance at the scales we are interested in, e.g. $k \lt 0.3\, h\, \mathrm{Mpc}^{-1}$ for the halo power spectrum. In addition, it can significantly suppress the sample variance of the halo bispectrum. We further generalize the method for other cosmologies with only one realization in AbacusSummit suite to extend the effective volume ∼20 times. In summary, our proposed strategy of combining high-fidelity simulations with fast approximate gravity solvers and a series of variance suppression techniques sets the path for a robust cosmological analysis of galaxy survey data.

cosmology: theory↗
DOE OSTI2022

The DESI N -body simulation project – I. Testing the robustness of simulations for the DESI dark time survey

ABSTRACT Analysis of large galaxy surveys requires confidence in the robustness of numerical simulation methods. The simulations are used to construct mock galaxy catalogues to validate data analysis pipelines and identify potential systematics. We compare three N-body simulation codes, abacus, gadget-2, and swift, to investigate the regimes in which their results agree. We run N-body simulations at three different mass resolutions, 6.25 × 108, 2.11 × 109, and 5.00 × 109 h−1 M⊙, matching phases to reduce the noise within the comparisons. We find systematic errors in the halo clustering between different codes are smaller than the Dark Energy Spectroscopic Instrument (DESI) statistical error for $s\ \gt\ 20\ h^{-1}$ Mpc in the correlation function in redshift space. Through the resolution comparison we find that simulations run with a mass resolution of 2.1 × 109 h−1 M⊙ are sufficiently converged for systematic effects in the halo clustering to be smaller than the DESI statistical error at scales larger than $20\ h^{-1}$ Mpc. These findings show that the simulations are robust for extracting cosmological information from large scales which is the key goal of the DESI survey. Comparing matter power spectra, we find the codes agree to within 1 per cent for k ≤ 10 h Mpc−1. We also run a comparison of three initial condition generation codes and find good agreement. In addition, we include a quasi-N-body code, FastPM, since we plan use it for certain DESI analyses. The impact of the halo definition and galaxy–halo relation will be presented in a follow-up study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Dark Energy Survey Year 3 results: Simulation-based cosmological inference with wavelet harmonics, scattering transforms, and moments of weak lensing mass maps. II. cosmological results

Here, we present a simulation-based cosmological analysis using a combination of Gaussian and non-Gaussian statistics of the weak lensing mass (convergence) maps from the first three years of the Dark Energy Survey. We implement the following: (1) second and third moments; (2) wavelet phase harmonics; (3) the scattering transform. Our analysis is fully based on simulations, spans a space of seven 𝑤 Cold Dark Matter (𝑤⁢ CDM) cosmological parameters, and forward models the most relevant sources of systematics inherent in the data: masks, noise variations, clustering of the sources, intrinsic alignments, and shear and redshift calibration. We implement a neural network compression of the summary statistics, and we estimate the parameter posteriors using a simulation-based inference approach. Including and combining different non-Gaussian statistics is a powerful tool that strongly improves constraints over Gaussian statistics (in our case, the second moments); in particular, the figure of merit (𝑆 8 , Ω m ) is improved by 70% (Λ ⁢CDM) and 90% (𝑤 ⁢CDM). When all the summary statistics are combined, we achieve a 2% constraint on the amplitude of fluctuations parameter 𝑆 8 ≡ 𝜎 8 ⁢(Ω m /0.3) 0.5 , obtaining 𝑆 8 = 0.794 ±0.017 (Λ⁢ CDM) and 𝑆 8 = 0.817 ±0.021 (𝑤 ⁢CDM), and a ∼10% constraint on Ω m , obtaining Ω m =0.259 ±0.025 (Λ ⁢CDM) and Ω m = 0.273 ±0.029 (𝑤⁢ CDM). In the context of the 𝑤⁢ CDM scenario, these statistics also strengthen the constraints on the parameter 𝑤, obtaining 𝑤 <−0.72. The constraints from different statistics are shown to be internally consistent (with a 𝑝-value>0.1 for all combinations of statistics examined). We compare our results to other weak lensing results from the first three years of the Dark Energy Survey data, finding good consistency; we also compare with results from external datasets, such as planck constraints from the cosmic microwave background, finding statistical agreement, with discrepancies no greater than <2.2⁢𝜎.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Embedding spatial decomposition in parareal in time power system simulation

We propose an approach for combining two decompositions in power system simulation, temporal and spatial, with a goal to achieve faster simulation time than utilizing either one of them alone. The proposed approach builds upon the structure of the Parareal algorithm for temporal decomposition and explores an efficient way of embedding the spatial decomposition into its coarse and fine solutions. This introduces two types of simultaneous parallelism in power system simulations - parallelism between system areas and between coarse integration intervals for time integration. The results from the application of the proposed approach are shown on a two-area system comprised of the IEEE 16-machine, 68-bus, and the IEEE 50-machine, 145-bus system.

Duan, Nan↗
DOE OSTI2021

Networked HIL Simulation System for Modeling Large-scale Power Systems

This paper presents a networked hardware-in-the-loop (HIL) simulation system for modeling large-scale power systems. Researchers have developed many HIL test systems for power systems in recent years. Those test systems can model both microsecond-level dynamic responses of power electronic systems and millisecond-level transients of transmission and distribution grids. By integrating individual HIL test systems into a network of HIL test systems, we can create large-scale power grid digital twins with flexible structures at required modeling resolution that fits for a wide range of system operating conditions. This will not only significantly reduce the need for field tests when developing new technologies but also greatly shorten the model development cycle. In this paper, we present a networked OPAL-RT based HIL test system for developing transmission-distribution coordinative Volt-VAr regulation technologies as an example to illustrate system setups, communication requirements among different HIL simulation systems, and system connection mechanisms. Impacts of communication delays, information exchange cycles, and computing delays are illustrated. Simulation results show that the performance of a networked HIL test system is satisfactory.

Xie, Fuhong↗
DOE OSTI2021

Control and Simulation of a Grid-Forming Inverter for Hybrid PV-Battery Plants in Power System Black Start

Power system restoration is an important part of system planning. Power utilities are required to maintain black start capable generators that can energize the transmission system and provide cranking power to non-blackstart capable generators. Traditionally, hydro and diesel units are used as black start capable generators. With the increased penetration of bulk size solar farms, inverter based generation can play an important role in faster and parallel black start thus ensuring system can be brought back into service without the conventional delays that can be expected with limited black start generators. Inverter-based photovoltaic (PV) power plants have advantages that are suitable for black start. This paper proposes the modeling, control, and simulation of a grid-forming inverter-based PV-battery power plant that can be used as a black start unit. The inverter control includes both primary and secondary control loops to imitate the control of a conventional synchronous machine. The proposed approach is verified using a test system modified from the IEEE 9-bus system in the time-domain electromagnetic transient simulation tool PSCAD. The simulation results shows voltage and frequency stability during a multi-step black-start and network energization process.

Nguyen, Quan H.↗
DOE OSTI2015

Quantifying sampling noise and parametric uncertainty in atomistic-to-continuum simulations using surrogate models

We present a methodology to assess the predictive fidelity of multiscale simulations by incorporating uncertainty in the information exchanged between the components of an atomistic-to-continuum simulation. We account for both the uncertainty due to finite sampling in molecular dynamics (MD) simulations and the uncertainty in the physical parameters of the model. Using Bayesian inference, we represent the expensive atomistic component by a surrogate model that relates the long-term output of the atomistic simulation to its uncertain inputs. We then present algorithms to solve for the variables exchanged across the atomistic-continuum interface in terms of polynomial chaos expansions (PCEs). We also consider a simple Couette flow where velocities are exchanged between the atomistic and continuum components, while accounting for uncertainty in the atomistic model parameters and the continuum boundary conditions. Results show convergence of the coupling algorithm at a reasonable number of iterations. As a result, the uncertainty in the obtained variables significantly depends on the amount of data sampled from the MD simulations and on the width of the time averaging window used in the MD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

BESTEST-GSR (Building Energy Simulation Test - Generation Simulation and Reporting) 2023 [SWR 18-23]

Building Energy Simulation Test (BESTEST) is an NREL-developed method to validate the qualitative performance of different whole building simulations engines relative to each other. https://www.nrel.gov/docs/legosti/old/6231.pdf The purpose of this repository is to generate BESTEST test case models, run simulations, and populate data for ASHRAE Standard 140 reporting spreadsheets for EnergyPlus® based whole building simulation tools. It was originally setup for 2014 version of Standard 140. In May of 2022 it was updated to the 2020 version of Standard 140. This update included updates and additions to existing test suites, the bulk of which was in Section 5.2 (Building Thermal Envelope and Fabric Load Tests). We did not add Section 5.5 Airside HVAC Equipment Performance, but we hope to add that later in 2022. At some point we also hope to add Section 5.2.4 ground modeling, which is currently excluded. Supported Tools The default IDF generation is based on the OpenStudio® CLI, but the workflow supports a 'Bring your own IDF' use case. Additionally, for non-EnergyPlus® based tools the post processing scripts can be used if simulation results are provided as a CSV file.The scripts on this repository should work on Mac, Windows, and Linux. Dependencies Install OpenStudio® 3.4.0 make sure command line can recognize the 'openstudio' command This includes EnergyPlus® 22.1 Install Ruby on your system if it isn't already setup. 2.7 is used for development but other versions may work Since OpenStudio has its own embedded Ruby, which is used for running measures, you don't necessarily have to use a version of Ruby supported by OpenStudio. Install RubyXL Ruby gem This is used to modify Microsoft Excel spreadsheets Install Parallel Ruby gem This allows the CLI to run simulations in parallel

Goldwasser, David↗
DOE OSTI2022

Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication transcription complex (RTC) is a multi-domain protein responsible for replicating and transcribing the viral mRNA inside a human cell. Attacking RTC function with pharmaceutical compounds is a pathway to treating COVID-19. Conventional tools, e.g., cryo-electron microscopy and all-atom molecular dynamics (AAMD), do not provide sufficiently high resolution or timescale to capture important dynamics of this molecular machine. Consequently, we develop an innovative workflow that bridges the gap between these resolutions, using mesoscale fluctuating finite element analysis (FFEA) continuum simulations and a hierarchy of AI-methods that continually learn and infer features for maintaining consistency between AAMD and FFEA simulations. We leverage a multi-site distributed workflow manager to orchestrate AI, FFEA, and AAMD jobs, providing optimal resource utilization across HPC centers. Our study provides unprecedented access to study the SARS-CoV-2 RTC machinery, while providing general capability for AI-enabled multi-resolution simulations at scale.

Trifan, Anda↗
DOE OSTI2019

Broadband (0–5 Hz) Fully Deterministic 3D Ground‐Motion Simulations of a Magnitude 7.0 Hayward Fault Earthquake: Comparison with Empirical Ground‐Motion Models and 3D Path and Site Effects from Source Normalized Intensities

We report on high‐performance computing (HPC) fully deterministic simulation of ground motions for a moment magnitude (⁠Mw⁠) 7.0 scenario earthquake on the Hayward fault resolved to 5 Hz using the SW4 finite‐difference code. We computed motions obeying physics‐based 3D wave propagation at a regional scale with an Mw 7.0 kinematic rupture model generated following Graves and Pitarka (2016). Both plane‐layered (1D) and 3D Earth models were considered, with 3D subsurface material properties and topography interpolated from a model of the U.S. Geological Survey (USGS). The resulting ground‐motion intensities cover a broader frequency range than typically considered in regional‐scale simulations, including higher frequencies relevant for engineering analysis of structures. Median intensities for sites across the domain are within the reported between‐event uncertainties (⁠τ⁠) of ground‐motion models (GMMs) across spectral periods 0.2–10 s (frequencies 0.1–5 Hz). The within‐event standard deviation ϕ of ground‐motion intensity measurement residuals range 0.2–0.5 natural log units with values consistently larger for the 3D model. Source‐normalized ratios of intensities (3D/1D) reveal patterns of path and site effects that are correlated with known geologic structure. These results demonstrate that earthquake simulations with fully deterministic wave propagation in 3D Earth models on HPC platforms produce broadband ground motions with median and within‐event aleatory variability consistent with empirical models. Systematic intensity variations for the 3D model caused by path and site effects suggest that these epistemic effects can be estimated and removed to reduce variation in site‐specific hazard estimates. This study motivates future work to evaluate the validity of the USGS 3D model and investigate the development of path and site corrections by running more scenarios.

Rodgers, Arthur J.↗
DOE OSTI2018

The Variable Saturation Hydraulic Conductivity Method for Improving Soil Water Content Simulation in EPIC and APEX Models

Core Ideas We propose VSHC for calculating soil water percolation in continuous models. VSHC relates permeability to daily hydraulic properties to estimate hydraulic conductivity. VSHC performed well at field scale and improved estimates of peak streamflows. Soil water percolation is a key process in the life cycle of water in fields, watersheds, and river basins. The Environmental Policy Integrated Climate (EPIC) and the Agricultural Policy/Environmental eXtender (APEX) are continuous models developed for evaluating the environmental effects of agricultural management. Traditionally, these models have simulated soil water percolation processes using a tipping‐bucket approach, with the rate of flow limited by the saturated hydraulic conductivity. This simple approach often leads to inaccuracy in simulating elevated soil water conditions where soil water content (SWC) levels may remain above field capacity under prolonged wet weather periods or limited drainage. To overcome this deficiency, a new submodel, the variable saturation hydraulic conductivity (VSHC) method, was developed for simulating soil water percolation processes using a nonlinear equation to estimate the effective hydraulic conductivity as a function of the SWC and soil properties. The VSHC method was evaluated at three sites in the United States and two sites in Europe. In addition, a numerical solution of the Richards equation was used as a benchmark for SWC comparison. Results show that the VSHC method substantially improves the accuracy of the SWC simulation in long‐term simulations, particularly during wet periods. At the watershed scale, results on the Riesel Y2 watershed indicate that the VSHC method enhances model performance in the high‐flow regime of channel peak flows because of the improved estimation of SWC, which implies that the improved SWC simulation at the field scale is beneficial to hydrologic modeling at the watershed scale.

Doro, Luca↗
DOE OSTI2019

Investigation of Hydrometeor Distributions in Continental and Maritime Storm Systems: Application of Cloud-Resolving Simulations, a Polarimetric Scanning Radar Simulator and Polarimetric Radar Observations

Detailed observations from DOE ARM field campaigns were used to evaluate and improve microphysical and dynamic fields simulated by 3D Cloud Resolving Models (CRMs), employing both bulk and size-resolved bin microphysics. One of the main challenges in bridging the gap between observations and models is placing the analysis in a common framework. To address this, a polarimetric radar simulator was built, consisting of a forward operator to calculate model-consistent polarimetric radar fields, and an analysis package to calculate microphysical and dynamic fields from radar data in a self-consistent manner. The assumptions required for the transformation from model output to radar parameters were carefully considered and tested. It was found that although rain is fairly well captured by the forward model, ice characteristics are difficult to constrain. This polarimetric radar simulator, POLArimetric Radar Retrieval and Instrument Simulator (POLARRIS), was then applied to WRF simulations and polarimetric C-band radar observations from Darwin, Australia and the SGP site in Oklahoma. These two locations contrast maritime and mid-latitude continental convection respectively. POLARRIS was used with NASA Unified WRF simulations of the same storms in order to compare the observed land and ocean contrasts in microphysics and dynamics. An improved model framework for dynamic downscaling of large-scale aerosol products was also developed and applied to the NASA Unified WRF (NU-WRF) cloud resolving model. This improved framework was used to explore the effects of thermodynamic and aerosol invigoration in deep land and ocean convection through a series of sensitivity studies by perturbating aerosol (CCN) and convective available potential energy (CAPE). It was found that increases in aerosol concentrations yielded increases in low-density graupel in the maritime case and high-density hail in the continental case through riming by increased supercooled water. This result implies that native differences in aerosol concentrations may enhance the inherent contrast in riming effects between deep convective systems in the maritime and continental conditions. Formal publications were generated describing this research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Developing and testing capabilities for simulating cases with heterogeneous land/water surfaces in a novel atmospheric large eddy simulation code

Large eddy simulations (LES) are the primary computational tool used to simulate high Reynolds number three-dimensional turbulent flows. In the context of earth system sciences, particularly atmospheric science, LES are uniquely able to resolve the scales of atmospheric motion that are key for building process-level understanding of boundary layer turbulence, atmosphere-surface interaction, clouds, and cloud-aerosol-chemistry interaction, and are a core limited-area modeling capability. Increasing demands are being placed on LES code bases as growing high performance computing resources allow LES to address a wider range of scientific problems. In addition, LES are emerging as a source of high-quality machine learning training data. These demands necessitate an agile and extensible code base that allows the model to quickly adapt to emergent needs. However, LES have largely relied on legacy Fortran code bases that lack flexibility. A new, Python-based LES capability called Predicting INteractions of Aerosol and Clouds in Large Eddy Simulation (PINACLES) has been developed as part of the Department of Energy’s Earth System Model Development (ESMD) program area’s Enabling Aerosol-cloud interactions at Global convection-permitting scalES (EAGLES) project. PINACLES was developed from the ground up with a philosophy of maximizing scientific throughput, by attempting to optimize for both model throughput and software extensibility. The initial development of PINACLES delivered a state-of-the-art idealized LES capability solving the non-hydrostatic anelastic equations of motion with doubly periodic boundary conditions and idealized homogenous surface boundary conditions. Here we provide a final report on the outcomes of a fiscal year 2021 Seed Laboratory Directed Research Project that extended PINACLES in two key ways. First, PINACLES was coupled to a state-of-the-art land surface model enabling it to simulate spatially inhomogeneous land-atmosphere interactions that are known to control key atmospheric processes. Second, the dynamical core of PINACLES was modified to permit non-periodic boundary conditions. This model enhancement enables simulation of realistic cases with boundary conditions prescribed from atmospheric reanalysis and enables nested simulations conducted on a hierarchy of computational domains with increasing resolution. Together, these extensions to PINACLES make it a formidable modeling capability and expand its potential application to diverse components of DOE’s atmospheric science portfolio.

42 ENGINEERING↗
DOE OSTI2020

High-Performance Simulation of Dynamic Hydrologic Exchange and Implications for Surrogate Flow and Reactive Transport Modeling in a Large River Corridor

Hydrologic exchange flows (HEFs) have environmental significance in riverine ecosystems. Key river channel factors that influence the spatial and temporal variations of HEFs include river stage, riverbed morphology, and riverbed hydraulic conductivity. However, their impacts on HEFs were often evaluated independently or on small scales. In this study, we numerically evaluated the combined interactions of these factors on HEFs using a high-performance simulator, PFLOTRAN, for subsurface flow and transport. The model covers 51 square kilometers of a selected river corridor with large sinuosity along the Hanford Reach of the Columbia River in Washington, US. Three years of spatially distributed hourly river stages were applied to the riverbed. Compared to the simulation when riverbed heterogeneity is not ignored, the simulation using homogeneous riverbed conductivity underestimated HEFs, especially upwelling from lateral features, and overestimated the mean residence times derived from particle tracking. To derive a surrogate model for the river corridor, we amended the widely used transient storage model (TSM) for riverine solute study at reach scale with reactions. By treating the whole river corridor as a batch reactor, the temporal changes in the exchange rate coefficient for the TSM were derived from the dynamic residence time estimated from the hourly PFLOTRAN results. The TSM results were evaluated against the effective concentrations in the hyporheic zone calculated from the PFLOTRAN simulations. Our results show that there is potential to parameterize surrogate models such as TSM amended with biogeochemical reactions while incorporating small-scale process understandings and the signature of time-varying streamflow to advance the mechanistic understanding of river corridor processes at reach to watershed scales. However, the assumption of a well-mixed storage zone for TSM should be revisited when redox-sensitive reactions in the storage zones play important roles in river corridor functioning.

Fang, Yilin↗