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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 1,063 records · Page 59

A Spatiotemporal-Aware Weighting Scheme for Improving Climate Model Ensemble Predictions

Multimodel ensembling has been widely used to improve climate model predictions, and the improvement strongly depends on the ensembling scheme. In this work, we propose a Bayesian neural network (BNN) ensembling method, which combines climate models within a Bayesian model averaging framework, to improve the predictive capability of model ensembles. Our proposed BNN approach calculates spatiotemporally varying model weights and biases by leveraging individual models' simulation skill, calibrates the ensemble prediction against observations by considering observation data uncertainty, and quantifies epistemic uncertainty when extrapolating to new conditions. More importantly, the BNN method provides interpretability about which climate model contributes more to the ensemble prediction at which locations and times. Thus, beyond its predictive capability, the method also brings insights and understanding of the models to guide further model and data development. In this study, we design experiments using an ensemble of CMIP6 climate model simulations to illustrate the BNN ensembling method's capability with respect to prediction accuracy, interpretability, and uncertainty quantification (UQ). We demonstrate that BNN can correctly assign larger weights to the regions and seasons where the individual model fits the observation better. Moreover, its offered interpretability is consistent with our understanding of localized climate model performance. Additionally, BNN shows an increasing uncertainty when the prediction is farther away from the period with constrained data, which appropriately reflects our trustworthiness of the models in the changing climate.

54 ENVIRONMENTAL SCIENCES↗

Interactive 3D Models and Simulations for Nuclear Security Education, Training, and Analysis.

By providing examples of products that have been produced in the past, it is the hopes of the authors that the audience will have a more thorough understanding of 3D modeling tools, potential applications, and capabilities that they can provide. Truly the applications and capabilities of these types of tools are only limited by one’s imagination. The future of three-dimensional models lies in the expansion into the world of virtual reality where one will experience a fully immersive first-person environment. The use of headsets and hand tools will allow students and instructors to have a more thorough spatial understanding of facilities and scenarios that they will encounter in the real world.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Kinetic simulation of magnetic field generation and collisionless shock formation in expanding laboratory plasmas

Recent laboratory experiments with laser-produced plasmas have observed and studied a number of fundamental physical processes relevant to magnetized astrophysical plasmas, including magnetic reconnection, collisionless shocks, and magnetic field generation by Weibel instability, opening up new experimental platforms for laboratory astrophysics. We develop a fully kinetic simulation model for first-principles simulation of these systems including the dynamics of magnetic fields—magnetic field generation by the Biermann battery effect or Weibel instability; advection by the ion flow, Hall effect, and Nernst effect; and destruction of the field by dissipative mechanisms. Key dimensionless parameters describing the system are derived for scaling between kinetic simulation, recent experiments, and astrophysical plasmas. First, simulations are presented which model Biermann battery magnetic field generation in plasmas expanding from a thin target. Ablation of two neighboring plumes leads to the formation of a current sheet as the opposing Biermann-generated fields collide, modeling recent laser-driven magnetic reconnection experiments. Second, we simulate recent experiments on collisionless magnetized shock generation, by expanding a piston plasma into a pre-magnetized ambient plasma. For parameters considered, the Biermann effect generates additional magnetic fields in the curved shock front and thereby increases shock particle reflection. In conclusion, both cases show the importance of kinetic processes in the interaction of plasmas with magnetic fields and open opportunities to benchmark these important processes through comparison of theory and experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

XE-100 modeling and simulation for neutronic analysis in MCNP6.2

XE-100 is a generation IV helium-cooled, graphite-moderated, pebble-bed reactor (HTGR). As part of the pathway toward a conceptually designing and licensing this reactor, an independent Monte Carlo model was created in MCNP6.2, and several distinct neutronic analyses were then performed. The double heterogeneity of TRISO fuel within graphite pebbles introduces unique modeling challenges related to particle and pebble clipping. The results show that for neutron and photon heating of ex-core components such as the reflector, RCSS, core barrel (CB), the model that contains clipping produces higher heating values. It is therefore concluded that removing clipping via compression of the particles and pebbles within the model distributes the neutrons and gammas preferentially toward the core center, and reduces the heating that is experienced toward the reactor periphery. Thus, the most conservative model for ex-core heating contains particle and pebble clipping. Also presented are results on the impact of chamfers that exist on the corners of graphite reflector blocks. As these chamfers could potentially create streaming paths, the neutron and gamma flux from the core to the CB were analyzed. It was determined that the chamfers do not significantly impact the neutron or gamma signatures on the CB, in that the shape of the neutron and photon flux on a detector imposed on the CB shows no preferential streaming path. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Pollution Transport From North America to Greenland During Summer 2008

Ozone pollution transported to the Arctic is a significant concern because of the rapid, enhanced warming in high northern latitudes, which is caused, in part, by short lived climate forcers, such as ozone. Long range transport of pollution contributes to background and episodic ozone levels in the Arctic. However, the extent to which plumes are photochemically active during transport, particularly during the summer, is uncertain. Regional chemical transport model simulations are used to examine photochemical production of ozone in air masses originating from boreal fire and anthropogenic emissions over North America and during their transport toward the Arctic during early July 2008. Model results shows good agreement with aircraft data collected over boreal fire source regions in Canada and several days downwind over Greenland during the study period. Pollutant plumes were transported east and north towards the Arctic and show significant ozone enhancements downwind of source regions. Anthropogenic plumes were more photochemically active than fire plumes. Together, both sources made an important contribution to ozone in pollution plumes transported to the Arctic.

Thomas, J. L.↗

The resilience and functional role of moss in boreal and arctic ecosystems

Mosses in boreal and arctic ecosystems are ubiquitous components of plant communities, represent an important component of plant diversity, and strongly influence the cycling of water, nutrients, energy and carbon. Here we use a literature review and synthesis as well as model simulations to explore the role of moss in ecological stability and resilience. Our literature review of moss community responses to disturbance showed all possible responses (increases, decreases, no change) within most disturbance categories in boreal and arctic regions. Our modeling simulations suggest that loss of moss within northern plant communities will reduce soil carbon accumulation primarily by influencing decomposition rates and soil nitrogen availability. While two models (HPM and STM-TEM) showed a significant effect of moss removal, results from the Biome-BGC and DVM-TEM models suggest that northern, moss-rich ecosystems would need to experience extreme perturbation before mosses were eliminated. We highlight a number of issues that have not been adequately explored in moss communities, such as functional redundancy and singularity, relationships between response and effect traits, phenotypical plasticity in traits, and whether the effects of moss on ecosystem processes scale with local abundance. We also suggest that as more models explore issues related to ecological resilience, issues related to both parameter and conceptual uncertainty should be addressed: are the models more limited by uncertainty in the parameterization of the processes included or by what is not represented in the model at all? It seems clear from our review that mosses need to be incorporated into models as one or more plant functional types, but more empirical work is needed to determine how to best aggregate species.

54 ENVIRONMENTAL SCIENCES↗

Estimating Uncertainty in Simulated ENSO Statistics

Abstract Large ensembles of model simulations are frequently used to reduce the impact of internal variability when evaluating climate models and assessing climate change induced trends. However, the optimal number of ensemble members required to distinguish model biases and climate change signals from internal variability varies across models and metrics. Here we analyze the mean, variance and skewness of precipitation and sea surface temperature in the eastern equatorial Pacific region often used to describe the El Niño–Southern Oscillation (ENSO), obtained from large ensembles of Coupled model intercomparison project phase 6 climate simulations. Leveraging established statistical theory, we develop and assess equations to estimate, a priori, the ensemble size or simulation length required to limit sampling‐based uncertainties in ENSO statistics to within a desired tolerance. Our results confirm that the uncertainty of these statistics decreases with the square root of the time series length and/or ensemble size. Moreover, we demonstrate that uncertainties of these statistics are generally comparable when computed using either pre‐industrial control or historical runs. This suggests that pre‐industrial runs can sometimes be used to estimate the expected uncertainty of statistics computed from an existing historical member or ensemble, and the number of simulation years (run duration and/or ensemble size) required to adequately characterize the statistic. This advance allows us to use existing simulations (e.g., control runs that are performed during model development) to design ensembles that can sufficiently limit diagnostic uncertainties arising from simulated internal variability. These results may well be applicable to variables and regions beyond ENSO.

54 ENVIRONMENTAL SCIENCES↗

Design Paradigm for Modular Multilevel Converter-Based Generator Rectifier Systems

Modular Multilevel Converters (MMC) are being widely considered for medium to high voltage DC applications. Designing such converters through multi-objective optimization is of interest because such an approach allows the trade-off between competing objectives (for example mass and loss) to be explicitly and quantitatively identified. In this work, an optimization based design paradigm for MMC based generator rectifier systems is proposed. Such development typically requires detailed component design and simulation models for the electric machine and converter which are computationally expensive. As an alternative, the proposed work utilizes an electric machine metamodel, inductor metamodel, and high-speed steady-state simulation model for the MMC to facilitate multi-objective optimization minimizing system metrics of interest while satisfying system constraints. A case study is undertaken to demonstrate the functionality of the proposed design paradigm.

42 ENGINEERING↗

Simulation and Modeling of Self-Assembled Monolayers of Carboxylic Acid Thiols on Flat and Nanoparticle Gold Surfaces

Quantitative analysis of the 16-mercaptohexadecanoic acid self-assembled monolayer (C16 COOH-SAM) layer thickness on gold nanoparticles (AuNPs) was performed using simulation of electron spectra for surface analysis (SESSA) and x-ray photoelectron spectroscopy (XPS). XPS measurements of C16 COOH SAMs on flat gold surfaces were made at 9 different photoelectron take-off angles (5o to 85o in 5o increments), corrected using geometric weighting factors and then summed together to approximate spherical AuNPs. The SAM thickness and relative surface roughness (RSA) in SESSA were optimized to determine the best agreement between simulated and experimental surface composition. Based on the glancing angle results, it was found that inclusion of a hydrocarbon contamination layer on top the C16 COOH-SAM was necessary to improve the agreement between the SESSA and XPS results. For the 16 COOH-SAMs on flat Au surfaces, using a SAM thickness of 1.1Å/CH2 group, an RSA of 1.05 and a 1.5Å CH2-contamination overlayer (total film thickness = 21.5Å) for the SESSA calculations provided the best agreement with the experimental XPS data. After applying the appropriate geometric corrections and summing the SESSA flat surface compositions, the best fit results for the 16 COOH-SAM thickness and surface roughness on the AuNPs were determined to be 0.9Å/CH2 group and 1.06 RSA with a 1.5Å CH2-contamination overlayer (total film thickness = 18.5Å). The three angstrom difference in SAM thickness between the flat Au and AuNP surfaces suggests the alkyl chains of the SAM are slightly more tilted or disordered on the AuNP surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Influence of ENSO Flavors on Western North Pacific Tropical Cyclone Activity

El Niño–Southern Oscillation (ENSO) is a major source of seasonal western North Pacific (WNP) tropical cyclone (TC) predictability. However, the spatial characteristics of ENSO have changed in recent decades, from warming more typically in the eastern equatorial Pacific during canonical or cold tongue El Niño to warming more typically in the central equatorial Pacific during noncanonical or warm pool El Niño. We investigated the response in basinwide WNP TC activity and spatial clustering of TC tracks to the location and magnitude of El Niño using observations, TC-permitting tropical channel model simulations, and a TC track clustering methodology. We found that simulated western North Pacific TC activity, including accumulated cyclone energy (ACE) and the number of typhoons and intense typhoons, is more effectively enhanced by sea surface temperature warming of the central, compared to the eastern, equatorial Pacific. El Niño also considerably influenced simulated TC tracks regionally, with a decrease in TCs that were generated near the Asian continent and an increase in clusters that were dominated by TC genesis in the southeastern WNP. This response corresponds with the spatial pattern of reduced vertical wind shear and is most effectively driven by central Pacific SST warming. Finally, internal atmospheric variability generated a substantial range in the simulated season total ACE (±25% of the median). However, extremely active WNP seasons were linked with El Niño, rather than internal atmospheric variability, in both observations and climate model simulations.

54 ENVIRONMENTAL SCIENCES↗

Simulation and Modeling of Optical Properties of U, Th, Pb, and Co Nanoparticles of Interest to Nuclear Security Using Finite Element Analysis

In this work, the optical characteristics of uranium (U), lead (Pb), cobalt (Co), and thorium (Th) nanoparticles are fashioned and simulated employing the finite element analysis (FEA) approach concerning multiple particle sizes. Applying finite element analysis, it was found that the simulated absorption peaks of electronic excitations of nuclear nanoparticles are red-shifted from 365 nm to 555 nm for U; from 355 nm to 550 nm for Pb; from 415 nm to 610 nm for Co; and from 350 nm to 540 nm for Th, comparing expanding particle sizes from 60 nm to 100 nm (except for Co, which varied from 70 nm to 100 nm). The FEA-simulated optical band gap energies and far-field radiation patterns were also obtained for nuclear materials. The simulation approach in this research enables the prediction of optical properties and design of nuclear materials before manufacture for nuclear security applications.

36 MATERIALS SCIENCE↗

Atmospheric river representation in the Energy Exascale Earth System Model (E3SM) version 1.0

Abstract. The Energy Exascale Earth System Model (E3SM) project is an ongoing, state-of-the-science Earth system modeling, simulation, and prediction project developed by the US Department of Energy (DOE). With an emphasis on supporting the DOE's energy mission, understanding and quantifying how well the model simulates water cycle processes is of particular importance. Here, we evaluate E3SM version 1.0 (v1.0) for its ability to represent atmospheric rivers (ARs), which play significant roles in water vapor transport and precipitation. The characteristics and precipitation associated with global ARs in E3SM at standard resolution (1∘ × 1∘) are compared to the Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA2). Global patterns of AR frequencies in E3SM show high degrees of correlation (≥0.97) with MERRA2 and low mean absolute errors (MAEs; <1 %) annually, seasonally, and across different ensemble members. However, some large-scale condition biases exist, leading to AR biases – most significant of which are the double intertropical convergence zone (ITCZ), a stronger and/or equatorward-shifted subtropical jet during boreal and austral winters, and enhanced Northern Hemisphere westerlies during summer. By comparing atmosphere-only and fully coupled simulations, we attribute the sources of the biases to the atmospheric component or to a coupling response. Using relationships revealed in Dong et al. (2021), we provide evidence showing the stronger North Pacific jet in winter and the enhanced Northern Hemisphere westerlies during summer, associated with E3SM's double ITCZ and related weaker Atlantic meridional overturning circulation (AMOC), respectively, which are significant sources of the AR biases found in the coupled simulations.

58 GEOSCIENCES↗

Revisiting Power Systems Time-Domain Simulation Methods and Models

The changing nature of power systems dynamics is challenging present practices related to modeling and study of system-level dynamic behavior. While developing new techniques and models to handle the new modeling requirements, it is also critical to review some of the terminology used to describe existing simulation approaches and the embedded assumptions. This article provides a first-principles review of the simplifications and transformations commonly used in the formulation of time-domain simulation models. It introduces a taxonomy and classification of time-domain simulation models depending on their frequency bandwidth, network representation, and software availability. Furthermore, it focuses on the fundamental aspects of averaging techniques, and model reduction approaches that result in modeling choices, and discusses the associated challenges and opportunities of applying these methods in systems with large shares of Inverter Based Resources (IBRs). The article concludes with an illustrative simulation that compares the trajectories of an IBR-dominated system.

behavioral sciences↗

Effect of air path heat losses at different locations in vapor compression-based clothes dryer: Quasi-steady modeling and design implications

Clothes drying is among the most power-intensive household end uses, and vapor compression-based clothes dryers offer substantial energy cost savings compared with conventional electric heater dryers. However, parasitic heat losses along the air path, that is, heat loss at the upstream of the drum, inside the drum, and at downstream of the drum, remain rarely quantified, but can strongly affect overall performance according to experiments. Here, this study enhances a vapor compression simulation model by integrating a validated drum model using a dimensionless heat-and-mass-transfer effectiveness correlation derived from 63 drying tests in the literature to form a quasi-steady dryer simulation model. The model is validated against laboratory measurements of a baseline dryer. The impact of heat losses is simulated at three locations and explored through 16 heat loss cases spanning two loads (2 and 5 kg), two airflow rates, and multiple loss distributions. For a 5 kg wet load, eliminating pre-drum and in-drum losses reduces total energy use by up to 34–35% and shortens drying time by 27–38% compared with the baseline. At a 2 kg wet load, introducing post-drum heat loss lowers energy costs by up to 23% and reduces operation time by up to 57% compared with the baseline. The results demonstrate that the impact of heat loss is location dependent. Vapor compression dryers should minimize pre-drum and in-drum losses while potentially exploiting post-drum heat dissipation to enhance the drying rate and energy cost savings.

Dryer↗

HFTS-1 Natural Joint Data and Engineering Summary

This report provides an analysis of engineering and geologic data collected from the Hydraulic Fracturing Test Site #1 (HTSF-1) project in the southern Midland Basin, Reagan County, Texas. The site is being studied as part of the Science-informed Machine Learning for Accelerating Real-Time Decisions in Subsurface Applications (SMART) Initiative at the National Energy Technology Laboratory (NETL). The data collected is intended to provide a basis of understanding of the site and to construct simulation models. This report provides a summary analysis of the engineering and geologic data collected from the project to provide a basis of understanding of the site and to construct simulation models. The report examines various possible correlations in engineering properties based on natural fracture data from the program, which consisted of 11 horizontal wells, one vertical well, and one slant well. The horizontal wells are in two horizons: 1) Upper and 2) Middle Wolfcamp formations. Program data include: fracture frequency and fracture orientation data from four core runs in a slant well; fracture spacing and orientation from a vertical pilot well; laboratory triaxial testing and mineralogical determinations; and porosity results from magnetic resonance analyses from various wells, together with observations based on the data collection. In addition, available references were reviewed on the site for additional insights. As the focus of the report is on the natural system, hydraulic fracture data from the site were not examined in detail in this report. Data variability is the chief observation in examination of the database. Fracture frequency in the slant well can range from sections with values as high as five fractures per ft to sections up to 100+ ft in length with no natural observed fractures. Fracture spacing across is typically less than 10 ft, but can range up to hundreds of feet. Apparent fracturing shows the trends in two predominate orientations, E-SW and WNW-ESE, but minor variations exist. The rock units vary across the site from siliceous mudstones to calcareous mudstones, showing a general layering with depth. The laboratory properties such as strength and modulus show no apparent trend with depth, but appear to correlate with rock mineralogy with high strength and modulus values where calcium content is high. In addition, an attempt to examine variability and mineralogy on a larger scale was made using a color-coded system based on gamma ray measurements. A staged colored approach was adopted, presuming that lower gamma ray values indicate higher value of calcium content (blue scale) and that higher gamma ray values indicate higher clay mineral content (orange scale). As provided in report appendices, the system correlated well with visual examination of the slant core and the petrofabric analyses of the vertical pilot well. The results showed large variability in mineral content along the horizontal plane across the site. The change in mineral content was also rapid, on a scale less than that of the average hydraulic fracture stage length of about 180 ft.

42 ENGINEERING↗

Assessing modifications to the Abdul-Razzak and Ghan aerosol activation parameterization (version ARG2000) to improve simulated aerosol–cloud radiative effects in the UK Met Office Unified Model (UM version 13.0)

The representation of aerosol activation is a key source of uncertainty in global composition-climate model simulations of aerosol–cloud interactions. The Abdul-Razzak and Ghan (ARG) activation parameterization is used in several global and regional models that employ modal aerosol microphysics schemes. In this study, we investigate the ability of the ARG parameterization to reproduce simulations with a cloud parcel model and find its performance is sensitive to the geometric standard deviations (widths) of the lognormal aerosol modes. We recommend adjustments to three constant parameters in the ARG equations, which improve the performance of the parameterization for small mode widths and its ability to simulate activation in polluted conditions. For the accumulation mode width of 1.4 used in the Met Office Unified Model (UM), the modifications decrease the mean bias in the activated fraction of aerosols compared to a cloud parcel model from −6.6 % to +1.2 %. We implemented the improvements in the UM and compared simulated global cloud droplet concentrations with satellite observations. The simulated cloud radiative effect changes by −1.43 W m −2 (6 %) and aerosol indirect radiative forcing over the industrial period changes by −0.10 W m −2 (10 %).

Ghosh, Pratapaditya [Carnegie Mellon University, P↗

Combining gait optimization with passive system to increase the energy efficiency of a humanoid robot walking movement

There are several approaches to create the Humanoid robot gait planning. This problem presents a large number of unknown parameters that should be found to make the humanoid robot to walk. Optimization in simulation models can be used to find the gait based on several criteria such as energy minimization, acceleration, step length among the others. The energy consumption can also be reduced with elastic elements coupled to each joint. The presented paper addresses an optimization method, the Stretched Simulated Annealing, that runs in an accurate and stable simulation model to find the optimal gait combined with elastic elements. Final results demonstrate that optimization is a valid gait planning technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Verification and Validation of Simulation Framework for Analysis of Traumatic Brain Injury

Many U.S. troops deployed in Iraq and Afghanistan have suffered blast-related, closed-head injuries as a result of being within non-lethal distance of a detonated improvised explosive device (IED). Consequently, we are conducting a modeling & simulation investigation, coupled with clinical diagnostics of brain injury, into the mechanisms associated with blast to the human head that give rise to traumatic brain injury (TBI). In particular, we are attempting to identify the specific conditions of focused stress wave energy within the brain, resulting from blast loading to the head, which define a threshold for persistent brain injury. As these threshold injury conditions are identified, one can then employ a modeling & simulation toolset to assess the efficacy of various helmet designs to mitigate blast exposure that would otherwise lead to traumatic brain injury. In this report, we describe our efforts to establish the role of stress wave interactions in the genesis of traumatic brain injury (TBI) from exposure to explosive blast. We discuss our effort to correlate simulation predictions with clinical assessments of TBI subjects whose brain injuries have been diagnosed by advanced magnetic resonance imaging techniques. This work has been funded through the U.S. Naval Health Research Center, Office of Naval Research, Mr. James Mackiewicz, project funding manager.

59 BASIC BIOLOGICAL SCIENCES↗