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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 325 records · Page 18

Challenges for Implementing FAIR Digital Objects with High Performance Workflows

New types of workflows are being used in science that couple traditional distributed and high-performance computing (HPC) with data-intensive approaches, and orchestrate ensembles of numerical simulations and artificial intelligence (AI) models. Such workflows may use AI models to supplement computation where numerical simulations may be too computationally expensive, to automate trivial yet time consuming operations, to perform preliminary selections among intractable numbers of combinations in domains as diverse as protein binding, fine-grid climate simulations, and drug discovery.

97 MATHEMATICS AND COMPUTING↗

WRF restart files for a LASSO-CACTI simulation

The restart files from a Weather Research and Forecasting (WRF) simulation from the Large-Eddy Simulation (LES) Atmospheric Radiation Measurement (ARM) Symbiotic Simulation and Observation (LASSO) deep-convection scenario for the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign. The LASSO-CACTI simulations span grid spacings from 7.5 km to 100 m through the use of four nested domains, labeled d1 through d4. Restarts are available for the LES domains, i.e., d3 and d4. The simulations are of convection near the Sierras de Córdoba mountain range, roughly centered on the ARM Mobile Facility. More information can be found at https://www.arm.gov/capabilities/modeling/lasso. The restart files are output every 30 minutes in netCDF format as output by the WRF model, i.e., the “wrfrst” files, with the files renamed for archival purposes.

54 ENVIRONMENTAL SCIENCES↗

Verification and validation of atmospheric transport models with the UF Training Reactor

The University of Florida Training Reactor (UFTR) is a 100-kW ARGONAUT type reactor with a unique design such that a large volume of air passes through the core, producing and releasing significant quantities of 41 Ar. Once released, the radioargon is dispersed throughout the atmosphere and decays by a 1294 keV gamma ray emission. This quantified, validated, and controlled 41 Ar plume can be utilized to verify and validate atmospheric transport models (ATMs). This is accomplished by coupling an ATM with MCNP and comparing the results to experimental measurements. For this study, an in-house developed Gaussian dispersion model and the EPA approved Gaussian model AERMOD were coupled with MCNP to simulate the results of a six hour measurement taken on May 8th, 2018. For the measurements and simulations, a grid of seven NaI detectors were placed in four different rooftop locations near the UFTR plume stack. With easterly winds dominating during the morning and early afternoon, both the measurement results and simulations displayed a higher 41 Ar photon count rate on the detectors west of the plume stack throughout the day. Overall, the AERMOD simulations produced better results when compared to the in-house model, particularly for the detectors placed east and west of the plume stack. While some of the AERMOD data showed a strong correlation with the measurements, the results remain inconsistent. Here, due to the varying accuracy of the simulation results, it is theorized that the relationship between measurement results and simulations will improve with the use of localized weather information or the utilization of non-Gaussian dispersion models.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

LES ARM Symbiotic Simulation and Observation Scenario for CACTI

The Large-Eddy Simulation (LES) Atmospheric Radiation Measurement (ARM) Symbiotic Simulation and Observation (LASSO) deep-convection scenario for the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign. The LASSO-CACTI scenario consists of a library of mesoscale and LES simulations spanning grid spacings from 7.5 km to 100 m for convection near the Sierras de Córdoba mountain range, roughly centered on the ARM Mobile Facility. Supporting skill scores and observation comparisons complement the simulations in addition to subsets of the model output for various categories of model output variables. More information can be found at https://www.arm.gov/capabilities/modeling/lasso.

54 ENVIRONMENTAL SCIENCES↗

Numerical Simulations of Crystal Growth of an Alloy Under Microgravity Conditions

The directional solidification of a dilute binary alloy (Bi-1.0 at.%Sn)is investigated. Results are obtained at a gravity level of I pg. Computations are performed in two dimensions with a fixed, non-uniform grid. The simulation involves a solution of the species concentration equation (modified to account for solute rejection at the interface) and energy equation (modified to account for phase-change) for both the solid and liquid phases, in addition to the constitutive equations for describing convective flow in the melt. The effects of conductive heat transfer in the ampoule and in a capillary tube in the sample are included. To gauge the effects of including this growth capillary tube in the apparatus, simulations both with and without the capillary tube are presented and compared. Fully transient simulations have been performed; no simplifying steady-state approximations are used, however, the influence of solute on the melting temperature at the interface is not included. Both thermal and solutal convective cells are seen to form. Convective velocities are significantly damped inside the capillary, causing less segregation due to convection. As solidification proceeds beyond the capillary tube, longitudinal segregation arises as a result of the change in cross-sectional area of solidifying material. The magnitudes of the velocities in this cell increase significantly once the solid/liquid front passes beyond the end of the capillary tube; this causes a corresponding increase in the level of radial solute segregation in the solidified material.

Simpson, James E.↗

Wall-Resolved Large-Eddy Simulations of Transonic Shock-Induced Flow Separation

Wall-resolved large-eddy simulations of shock-induced flow separation over an axisymmet- ric bump for a Mach number of 0.875 and a chord-based Reynolds number of 2.763 million are performed. The incoming boundary layer has a momentum-thickness Reynolds number of 6600 at 1.5 chords upstream of the bump. The calculations, which employ up to 24 billion grid points, simulate the experimental model of Bachalo and Johnson (AIAA Journal, Vol. 24, No. 3, 1986), except that the tunnel walls are ignored and free air is assumed. The effects of domain span and grid resolution are examined along with the main flowfield features. The predicted shock position as well as separation and reattachment locations agree well with the experiment. Grid convergence is observed in the attached region well upstream of separation. Two-point azimuthal correlations suggest that a span of at least 20 degrees is needed in the attached region, while a 120-degree span might be barely large enough in the separated region. Computed root-mean-square surface pressure fluctuations at the shock foot reach about 5 percent of ambient pressure and the level at reattachment location drops to about half of the primary peak. Simulations reveal evidence of the low-frequency shock unsteadiness; however, a much longer statistical sample is needed to investigate this phenomenon.

Uzun, Ali↗

Simulation of Fluid Flow and Collection Efficiency for an SEA Multi-element Probe

Numerical simulations of fluid flow and collection efficiency for a Science Engineering Associates (SEA) multi-element probe are presented. Simulation of the flow field was produced using the Glenn-HT Navier-Stokes solver. Three-dimensional unsteady results were produced and then time averaged for the heat transfer and collection efficiency results. Three grid densities were investigated to enable an assessment of grid dependence. Simulations were completed for free stream velocities ranging from 85-135 meters per second, and free stream total pressure of 44.8 and 93.1 kilopascals (6.5 and 13.5 pounds per square inch absolute). In addition, the effect of angle of attack and yaw were investigated by including 5 degree deviations from straight for one of the flow conditions. All but one of the cases simulated a probe in isolation (i.e. in a very large domain without any support strut). One case is included which represents a probe mounted on a support strut within a finite sized wind tunnel. Collection efficiencies were generated, using the LEWICE3D code, for four spherical particle sizes, 100, 50, 20, and 5 micron in diameter. It was observed that a reduction in velocity of about 20% occurred, for all cases, as the flow entered the shroud of the probe. The reduction in velocity within the shroud is not indicative of any error in the probe measurement accuracy. Heat transfer results are presented which agree quite well with a correlation for the circular cross section heated elements. Collection efficiency results indicate a reduction in collection efficiency as particle size is reduced. The reduction with particle size is expected, however, the results tended to be lower than the previous results generated for isolated two-dimensional elements. The deviation from the two-dimensional results is more pronounced for the smaller particles and is likely due to the reduced flow within the protective shroud. As particle size increases differences between the two-dimensional and three dimensional results become negligible. Taken as a group, the total collection efficiency of the elements including the effects of the shroud has been shown to be in the range of 0.93 to 0.99 for particles above 20 microns. The 3D model has improved the estimated collection efficiency for smaller particles where errors in previous estimates were more significant.

Water Content↗

Load Shifting with Space Conditioning Heat Pumps During Heating Season in the Pacific Northwest

Ductless mini- and multi-split heat pumps are commonly deployed in Pacific Northwest residences, which historically have inefficient space heating and no space cooling. Heat pumps provide these residences with more energy-efficient space heating in the winter and space cooling for increasingly warm summer periods. For many of these applications, heat pumps add a new electrical load at the residence, compelling regional utilities to seek to understand their impacts on the electrical grid and opportunities for load management. In coordination with regional utilities, this study examined the winter load-shifting potential of residential multi-split heat pumps with variable capacity technology. The study included nine residential sites with a total of 20 ductless indoor units, which underwent simulated smart grid control. Grid control functionality was provided through the CTA-2045 communication protocol and included offsetting temperature setpoints for individual indoor units in the study. Field data collection included whole-house and heating, ventilation, and air conditioning electrical power consumption; indoor zone temperatures; occupant surveys; and CTA-2045 curtailment data for both baseline and simulated load-shifting events by site. This paper provides an overview of the load-shifting strategies and aggregated results from winter data collection.

ASHRAE, Heat pump, energy effciency, residential b↗

Assessment of UMUSCL Scheme for DNS of Turbulent Flows

Direct Numerical Simulations (DNS) are performed using the FUN3D code ( https://fun3d.larc.nasa.gov) for three validation cases: (1) flow through a plane channel, (2) flow through a channel with a constriction, and (3) flow over a flat plate. FUN3D is a node-centered finite-volume code developed at the NASA Langley Research Center that solves the three-dimensional compressible Navier-Stokes equations on unstructured computational grids. The simulations are performed employing the 2nd-order unstructured monotonic upstream scheme for conservation laws (UMUSCL). The results are compared with available experimental and numerical data. The effect of the UMUSCL reconstruction parameter (κ) is assessed, and the results indicate that κ = 0.9 yields satisfactory results in terms of accuracy and robustness compared to available data. Further analyses of the results, along with additional test cases and grids will be presented in the final manuscript.

Direct Numerical Simulation↗

Representing lateral groundwater flow from land to river in Earth system models

Lateral groundwater flow (LGF) is an important hydrologic process in controlling water table dynamics. Due to the relatively coarse spatial resolutions of land surface models, the representation of this process is often overlooked or overly simplified. In this study, we developed a hillslope-based lateral groundwater flow model. Specifically, we first developed a hillslope definition model based on an existing watershed delineation model to represent the subgrid spatial variability in topography. Building upon this hillslope definition, we then developed a physical-based lateral groundwater flow using Darcy’s equation. This model explicitly considers the relationships between the groundwater table along the hillslope and the river water table levels. We coupled this intra-grid model to the land component (E3SM Land Model: ELM) and river component (MOdel for Scale Adaptive River Transport: MOSART) of the Energy Exascale Earth System Model (E3SM). We tested both the hillslope definition model and the lateral groundwater flow model and performed sensitivity experiments using different configurations. Simulations for a single grid cell at 0.5°×0.5° within the Amazon basin show that the definition of hillslope is the key to modeling lateral flow processes and the runoff partition between surface and subsurface can be dramatically changed using the hillslope approach. Although our method provides a pathway to improve the lateral flow process, future improvements are needed to better capture the subgrid structure to account for the spatial variability in hillslopes within the simulated grid of land surface models.

54 ENVIRONMENTAL SCIENCES↗

Design and evaluation of a cyber‐physical testbed for improving attack resilience of power systems

Abstract A power system is a complex cyber‐physical system whose security is critical to its function. A major challenge is to model, analyse and visualise the communication backbone of the power systems concerning cyber threats. To achieve this, the design and evaluation of a cyber‐physical power system (CPPS) testbed called Resilient Energy Systems Lab (RESLab) are presented to capture realistic cyber, physical, and protection system features. RESLab is architected to be a fundamental platform for studying and improving the resilience of complex CPPS to cyber threats. The cyber network is emulated using Common Open Research Emulator (CORE), which acts as a gateway for the physical and protection devices to communicate. The physical grid is simulated in the dynamic time frame using Power World Dynamic Studio (PWDS). The protection components are modelled with both PWDS and physical devices including the SEL Real‐Time Automation Controller (RTAC). Distributed Network Protocol 3 (DNP3) is used to monitor and control the grid. Then, the design is exemplified and the tools are validated. This work presents four case studies on cyberattack and defence using RESLab, where we demonstrate false data and command injection using Man‐in‐the‐Middle and Denial of Service attacks and validate them on a large‐scale synthetic electric grid.

Sahu, Abhijeet↗

Equivalent-Circuit Models of Grid-Forming IBRs for Electromagnetic-Transient Simulations: Preprint

We derive equivalent-circuit models of control- and physical-layer subsystems of grid-forming (GFM) inverter-based resources (IBRs) for electromagnetic-transient (EMT) simulations. Three different primary controllers are considered: droop, virtual synchronous machine (VSM), and dispatchable virtual oscillator control (dVOC). In addition, the models include cascaded voltage- and current-control loops, and LCL output filters. Simulations for a single-inverter setup and for a network of five inverters in a modified IEEE 14-bus topology are presented. The equivalent-circuit models simulated with analog electronic circuit-simulator software (in our case, LTspice) offer the same accuracy with up to 150x lower computational burden compared to block-diagram-based implementations in commercial off-the-shelf EMT software (in our case, MATLAB-Simulink).

circuit-equivalent model↗

Mapping Distant Continental Influences in the Remote Pacific Atmosphere; Simulations of CO Relevant to the Photochemistry of Oxidants

An animated sequence of maps of simulated carbon monoxide concentrations graphically portrays the extent of residual continental influence upon the tropical Pacific Ocean as studied by NASA aircraft during the PEM-Tropics B intensive sampling campaign. We used the MM5 at a 90 km resolution in a globally wrapped grid to simulate the meteorology of transport, and our GRACES model to follow the basic chemistry. The CO we simulate derives from different sources, and so we distinguish anthropogenic, natural terpenoid oxidation, biomass burning, and pervasive CH4-oxidation influences. "Influence" is always judged with an implicit timescale, and these maps describe influence on the 15-45 day timescale appropriate for CO oxidation. In consequence, the maps are useful in assessing the origins of slowly reacting compounds like acetone, methanol, and the lightest hydrocarbons. At 8 km altitude, The Eastern South Pacific to ca. 130 W (eastern Polynesia) was frequently affected by continental influences but NASA's DC-8's flight path did not happen to take it into these regions very often. Near the surface, continentally influenced air crossed into t he Western South Pacific, in the region northwest of the Southern Pacific Convergence Zone but south of the Intertropical Convergence Zone. This air originated from the NE Pacific, and partly from North America. Comparisons are made to CO and other compounds measured aboard the DC-8 and the P-3 aircraft. We will also use tracers to describe the influence of marine convection in the upper troposphere. As time allows, we will discuss the "age" of ozone within the very cleanest region sampled in portions of the near-equatorial Western South Pacific, using a simple chemical mechanism for ozone levels. These simulations describe the chemistry of an atmosphere with very low ozone.

Chatfield Robert B.↗

Tidal disruption discs formed and fed by stream–stream and stream–disc interactions in global GRHD simulations

When a star passes close to a supermassive black hole (BH), the BH’s tidal forces rip it apart into a thin stream, leading to a tidal disruption event (TDE). In this work, we study the post-disruption phase of TDEs in general relativistic hydrodynamics (GRHD) using our GPU-accelerated code h-amr. We carry out the first grid-based simulation of a deep-penetration TDE (β = 7) with realistic system parameters: a black hole-to-star mass ratio of 10 6 , a parabolic stellar trajectory, and a non-zero BH spin. We also carry out a simulation of a tilted TDE whose stellar orbit is inclined relative to the BH midplane. We show that for our aligned TDE, an accretion disc forms due to the dissipation of orbital energy with ~20 percent of the infalling material reaching the BH. The dissipation is initially dominated by violent self-intersections and later by stream–disc interactions near the pericentre. The self-intersections completely disrupt the incoming stream, resulting in five distinct self-intersection events separated by approximately 12 h and a flaring in the accretion rate. We also find that the disc is eccentric with mean eccentricity e ≈ 0.88. For our tilted TDE, we find only partial self-intersections due to nodal precession near pericentre. Although these partial intersections eject gas out of the orbital plane, an accretion disc still forms with a similar accreted fraction of the material to the aligned case. These results have important implications for disc formation in realistic tidal disruptions. For instance, the periodicity in accretion rate induced by the complete stream disruption may explain the flaring events from Swift J1644+57.

79 ASTRONOMY AND ASTROPHYSICS↗

Real-time Electromagnetic Transient Simulation of Multi-Terminal HVDC-AC Grids based on GPU

High-fidelity electromagnetic transient (EMT) simulation plays a critical role in understanding the dynamic behavior and fast transients involved in operation, control, and protection of Multi-Terminal dc (MTdc) grids. Here, this paper proposes a cost-effective high-performance real-time EMT simulation platform for large-scale cross-continental MTdc grids based on graphics processing unit (GPU). The proposed simulation platform: i) assembles detailed EMT models of all components within an MTdc-ac grid into a single platform. This setup provides a complete simulation solution to capture fast transient signals required for high-bandwidth controller design and protection studies without any compromise; ii) implements the first GPU-based simulation architecture and corresponding algorithms for MTdc-ac grids with real-time performance at scales of 1s; iii) is highly-efficient and balances the high utilization of GPU resources and low latency required for the simulation; and iv) outperforms the existing central processing unit (CPU)- or digital signal processor (DSP)/field-programmable gate array (FPGA)-based simulators in terms of its higher scalability on large-scale MTdc-ac grids and superior price-performance ratio on the hardware. Accuracy and performance of the proposed platform are evaluated with respect to the reference results from PSCAD/EMTDC environment.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An Assessment of Nonhydrostatic and Hydrostatic Dynamical Cores at Seasonal Time Scales in the Energy Exascale Earth System Model (E3SM)

Abstract In global atmospheric modeling, the differences between nonhydrostatic (NH) and hydrostatic (H) dynamical cores are negligible in dry simulations when grid spacing is larger than 10 km. However, recent studies suggest that those differences can be significant at far coarser resolution when moisture is included. To better understand how NH and H differences manifest in global fields, we perform and analyze an ensemble of 28 and 13 km seasonal simulations with the NH and H dynamical cores in the Energy Exascale Earth System Model global atmosphere model, where the differences between H and NH configurations are minimized. A set of idealized rising bubble experiments is also conducted to further investigate the differences. Although NH and H differences are not significant in global statistics and zonal averages, significant differences in precipitation amount and patterns are observed in parts of the tropics. The most prominent differences emerge near India and the Western Pacific in the boreal summer, and the central‐southern Indian Ocean and Pacific in the boreal winter. Tropical differences influence surrounding regions through modification of the regional circulation and can propagate to the extratropics, leading to significant temperature and geopotential differences over the middle to high latitudes. While the dry bubble experiments show negligible deviation between H and NH dynamics until grid spacing is below 6.25 km, precipitation amount and vertical velocity are different in the moist case even at 25 km resolution.

58 GEOSCIENCES↗

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Evaluation of RANS vs. LES simulation of fluid flow through 3 × 3 rod bundle with a simple spacer grid as a precursor to coupled fluid–structure interaction simulations

The research literature on Computational Fluid Dynamics (CFD) of coolant flow through rod bundles with spacer-grids and mixing vanes is replete, ranging from high fidelity Large Eddy Simulation (LES)/Direct Numerical Simulation (DNS) simulations to Reynolds-Averaged Navier–Stokes (RANS) modeled studies. The mixing of flow between subchannels and the pressure drop through the bundle are fundamental quantities useful for comparing and evaluating CFD methods. Less commonly observed and compared are the forces exerted onto the structure by the fluid. The present study seeks to evaluate the use of RANS simulations for predicting the structural response to fluid flow. Wall resolved RANS simulations are benchmarked against LES simulations of fluid flow at a Reynolds number of 15,000 through a 3 × 3 fuel rod bundle with a simple spacer grid. Velocity line-plots are compared showing good agreement between RANS and LES results, ascertaining that the former is capable of capturing the essential time-averaged velocity profile. Additionally, the distribution of forces on the spacer grid and fuel rods are collected as a function of time and space. The RANS methods are evaluated using the frequency and magnitude of the fluctuating forces on various portions of the structure as compared to LES. In conclusion, the power spectral density evaluation of the models reveal underprediction of force amplitude on the rod walls by RANS and also discrepancy in the prediction of high frequency spectra, especially in the immediate vicinity of spacer-grid structure, which may be attributed to the lack of random turbulence fluctuation or insufficient modeling of small-scale eddies in RANS simulation.

FIV↗