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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evaluating Climate Models with the CLIVAR 2020 ENSO Metrics Package

El Niño–Southern Oscillation (ENSO) is the dominant mode of interannual climate variability on the planet, with far-reaching global impacts. It is therefore key to evaluate ENSO simulations in state-of-the-art numerical models used to study past, present, and future climate. Recently, the Pacific Region Panel of the International Climate and Ocean: Variability, Predictability and Change (CLIVAR) Project, as a part of the World Climate Research Programme (WCRP), led a community-wide effort to evaluate the simulation of ENSO variability, teleconnections, and processes in climate models. The new CLIVAR 2020 ENSO metrics package enables model diagnosis, comparison, and evaluation to 1) highlight aspects that need improvement; 2) monitor progress across model generations; 3) help in selecting models that are well suited for particular analyses; 4) reveal links between various model biases, illuminating the impacts of those biases on ENSO and its sensitivity to climate change; and to 5) advance ENSO literacy. By interfacing with existing model evaluation tools, the ENSO metrics package enables rapid analysis of multipetabyte databases of simulations, such as those generated by the Coupled Model Intercomparison Project phases 5 (CMIP5) and 6 (CMIP6). The CMIP6 models are found to significantly outperform those from CMIP5 for 8 out of 24 ENSO-relevant metrics, with most CMIP6 models showing improved tropical Pacific seasonality and ENSO teleconnections. Only one ENSO metric is significantly degraded in CMIP6, namely, the coupling between the ocean surface and subsurface temperature anomalies, while the majority of metrics remain unchanged.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Simulating dispatchable grid services provided by flexible building loads: State of the art and needed building energy modeling improvements

End-use electrical loads in residential and commercial buildings are evolving into flexible and cost-effective resources to improve electric grid reliability, reduce costs, and support increased hosting of distributed renewable generation. This article reviews the simulation of utility services delivered by buildings for the purpose of electric grid operational modeling. We consider services delivered to (1) the high-voltage bulk power system through the coordinated action of many, distributed building loads working together, and (2) targeted support provided to the operation of low-voltage electric distribution grids. Although an exhaustive exploration is not possible, we emphasize the ancillary services and voltage management buildings can provide and summarize the gaps in our ability to simulate them with traditional building energy modeling (BEM) tools, suggesting pathways for future research and development.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Risk assessment and ventilation modeling for hydrogen releases in vehicle repair garages

The availability of repair garage infrastructure for hydrogen fuel cell vehicles is becoming increasingly important for future industry growth. Ventilation requirements for hydrogen fuel cell vehicles can affect both retrofitted and purpose-built repair garages and the costs associated with these requirements can be significant. A hazard and operability (HAZOP) study was performed to identify risk-significant scenarios related to light-duty hydrogen vehicles in a repair garage. Detailed simulations and modeling were performed using appropriate computational tools to estimate the location, behavior, and severity of hydrogen release based on key HAZOP scenarios. Here, this work compares current fire code requirements to an alternate ventilation strategy to further reduce potential hazardous conditions. Modeling shows that position, direction, and velocity of ventilation have a significant impact on the amount of instantaneous flammable mass in the domain.

08 HYDROGEN↗
DOE OSTI2024

Assessing the impacts of air-sealing on the sizing, operation, and economic feasibility of ground-source heat pumps for electrifying single-family houses in the US

According to recent studies and reports, in single-family houses (SFHs), air-sealing can significantly lower the thermal loads for space heating and cooling. Thus, air-sealing in SFHs could reduce the required size and cost of ground source heat pump (GSHP) systems for electrifying SFHs. Here, this study investigated the costs and benefits of integrating air-sealing with GSHPs for retrofitting existing SFHs when compared with air-source heat pumps. A whole building energy simulation tool integrated with an advanced design tool for modeling ground heat exchangers was used to calculate changes in required GSHP capacity, total borehole length, and building energy consumption with and without air-sealing in SFHs in 16 US climatic regions. The results from this study showed that reducing outdoor air infiltration from 0.8 air changes per hour (ACH) to the minimum ventilation requirement (0.35 ACH) can significantly reduce borehole length (up to 55 %), GSHP capacity (up to 48 %), and total heating electricity reduction, especially in cold climates (up to 44 %). The results also showed that for airtight homes (0.03 ACH infiltration) with a direct outdoor air system, the minimum required borehole length, GSHP capacity, and total heating electricity consumption can be reduced up to 70 %, 68 %, and 67 %, respectively, when compared with SFHs with 0.8 ACH infiltration. Moreover, the life cycle cost analysis showed that air-sealing in conjunction with a GSHP is more profitable than replacing the existing system with an air-source heat pump, even without any incentives for most climatic regions in the US (except for some hot regions).

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Characterizing uncertainty in Community Land Model version 5 hydrological applications in the United States

Abstract Land surface models such as the Community Land Model Version 5 (CLM5) are essential tools for simulating the behavior of the terrestrial system. Despite the extensive application of CLM5, limited attention has been paid to the underlying uncertainties associated with its hydrological parameters and how these uncertainties affect water resource applications. To address this long-standing issue, we use five meteorological datasets to conduct a comprehensive hydrological parameter uncertainty characterization of CLM5 over the hydroclimatic gradients of the conterminous United States. Key datasets produced from the uncertainty characterization experiment include: a benchmark dataset of CLM5 default hydrological performance, parameter sensitivities for 28 hydrological metrics, and large-ensemble outputs for CLM5 hydrological predictions. The presented datasets will assist CLM5 calibration and support broad applications, such as evaluating drought and flood vulnerabilities. The datasets can be used to identify the hydroclimatological conditions under which parametric uncertainties demonstrate substantial effects on hydrological predictions and clarify where further investigations are needed to understand how hydrological prediction uncertainties interact with other Earth system processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Assessment of Electric Grid Transmission System Simulator for Human Factors Research

Over the past decades, various technologies have been developed for electric grid operations to support clean energy, meet rising electricity demands, and address infrastructure concerns. However, the human factors aspect is often overlooked during rapid integration. Questions persist about how these technologies impact human performance. Simulators play a critical role in supporting investigation of human factors design concepts and conducting comprehensive usability testing to evaluate human performance and assess human reliability. This paper aims to address human factors research simulator requirements and conduct a comparative study of six different simulators. A detailed evaluation reveals that the evaluated simulators lack the ability to customize user interfaces. Additionally, their user interface designs do not fulfill the basic human factors design principles, potentially leading to increased response variability and reduced statistical power when conducting controlled experimental research. In the future, it is essential to develop scripting tools to integrate customizable user interfaces and simulation models, ensuring meeting research requirements.

Li, Ruixuan↗
DOE OSTI2021

Streamlining the Coupling of BISON and Dakota Through the NEAMS Workbench

Metallic nuclear fuels for use in advanced reactors are an active area of research and development. Robust, accurate metallic fuel performance models are necessary for the design, analysis, and licensing of such reactors. However, metallic fuel performance models require additional development; they are not as mature as uranium dioxide fuel performance models. To support further metallic fuel development, Oak Ridge National Laboratory and the University of Florida have streamlined the coupling of the BISON fuel performance code with Design Analysis Kit for Optimization and Terascale Applications (Dakota) statistical analysis tool through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench. This work included performing three different sensitivity analyses on metallic nuclear fuel models in BISON. The analyses examined were a general model of the IFR-1 experiment, the X430 experiment T654 pin, and the X430 experiment T651 pin. The results suggest that BISON and Dakota can be integrated through NEAMS Workbench to perform sensitivity and uncertainty analyses and visualize the results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Internally Catalyzed Hydrogen Atom Transfer (I-CHAT)—A New Class of Reactions in Combustion Chemistry

The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O–O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular “catalytic hydrogen atom transfer” mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers—enol hydroperoxides (EHP). The uncertainty in the contribution of enols is typically due to the high computed barriers for conventional (“direct”) keto–enol tautomerization. Remarkably, the I-CHAT dramatically reduces such barriers. The novel mechanism can be regarded as an intramolecular version of the intermolecular relay transfer of H-atoms mediated by an external molecule following the general classification of such processes (Catal. Rev.-Sci. Eng. 2014, 56, 403). Here, we present a detailed mechanistic and kinetic analysis of the I-CHAT-facilitated pathways applied to n-hexane, n-heptane, and n-pentane models as prototype molecules for gasoline, diesel, and hybrid rocket fuels. We particularly examined the formation kinetics and subsequent dissociation of the γ-enol-hydroperoxide isomer of the most abundant pentane-derived isomer γ-C5-KHP observed experimentally. To gain molecular-level insight into the I-CHAT catalysis, we have also explored the role of the internal catalyst moieties using truncated models. All applied models demonstrated a significant reduction in the isomerization barriers, primarily due to the decreased ring strain in transition states. In addition, the longer-range and sequential H-migration processes were also identified and illustrated via a combined double keto–enol conversion of heptane-2,6-diketo-4-hydroperoxide as a potential chain-branching model. To assess the possible impact of the I-CHAT channels on global fuel combustion characteristics, we performed a detailed kinetic analysis of the isomerization and decomposition of γ-C5-KHP comparing I-CHAT with key alternative reactions—direct dissociation and Korcek channels. Calculated rate parameters were implemented into a modified version of the n-pentane kinetic model developed earlier using RMG automated model generation tools (ACS Omega, 2023, 8, 4908). Simulations of ignition delay times revealed the significant effect of the new pathways, suggesting an important role of the I-CHAT pathways in the low-T combustion of large alkanes.

Biochemistry & Molecular Biology↗
DOE OSTI2026

Powered by dGen Webinar [Slides]

NLR's Powered By Webinar Series featuring NLR's dGen Modeling Tool. The Distributed Generation Market Demand (dGenTM) model simulates customer adoption of distributed energy resources for residential, commercial, and industrial entities in the United States or other countries through 2050. The model enables analysis at multiple geographic levels (national, state, and utility, or below) and offers sophistication in representation of decision-making regarding economic and behavioral considerations. Analysts have used dGen to answer questions about load forecasting and integrated resource planning, policy analysis, locational value of distributed energy resources, and more. dGen is open source, and various energy organizations - including independent system operators, regional transmission organizations, and the California Energy Commission - use the model internally.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Stakeholder-Driven Improvements to Nek5000 and NekRS

As a key part of the U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program (NEAMS), the next generation of tools for nuclear reactor design are being developed. A primary metric for success of this program is the adoption of those tools by industry stakeholders. Based on feedback provided directly to NEAMS, two of the major weaknesses have been a lack of moderate-fidelity Reynolds-averaged Navier-Stokes (RANS) turbulence models and available documentation. Over the past several years, developments have been focused on addressing the needs of those stakeholders. The outcome of those efforts are described herein.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Assessment of Fast Reactor Hot Channel Factor Calculation Capability in Griffin and NekRS

The DOE-NE Advanced Modeling and Simulation (NEAMS) program develops, demonstrates, and deploys predictive computational modeling tools for nuclear reactor design and analysis. Under the Fast Reactor Applications activity within the Application Drivers Technical Area of NEAMS, the ability to perform high fidelity “hot channel factor” (HCF) coupled multiphysics simulations has been identified as a valuable simulation capability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

System Advisor Model (SAM) Improvements for Emerging Solar Thermal Applications

The System Advisor Model (SAM) is an open-source tool developed by NREL to simulate the techno-economic performance of technologies like photovoltaics, solar thermal, wind, and geothermal. NREL has recently completed, active, and planned projects to improve the solar thermal models in SAM and its underlying code base to represent emerging component technologies, systems, and applications. This poster describes new capabilities in the SolarPILOT optical modeling tool, supercritical carbon dioxide (sCO2) power cycles, and solar industrial process heat.

14 SOLAR ENERGY↗
DOE OSTI2021

Multilevel Spectral Coarsening for Graph Laplacian Problems with Application to Reservoir Simulation

We extend previously developed two-level coarsening procedures for graph Laplacian problems written in a mixed saddle point form to the fully recursive multilevel case. The resulting hierarchy of discretizations gives rise to a hierarchy of upscaled models, in the sense that they provide approximation in the natural norms (in the mixed setting). This property enables us to utilize them in three applications: (i) as an accurate reduced model, (ii) as a tool in multilevel Monte Carlo simulations (in application to finite volume discretizations), and (iii) for providing a sequence of nonlinear operators in a full approximation scheme for solving nonlinear pressure equations discretized by the conservative two-point flux approximation. Finally, we illustrate the potential of the proposed multilevel technique in all three applications on a number of popular benchmark problems used in reservoir simulation.

multilevel Monte Carlo↗
DOE OSTI2023

Comparing emulation methods for a high‐resolution storm surge model

Abstract Realistic simulations of complex systems are fundamental for climate and environmental studies. Large computer systems are often not sufficient to run sophisticated computational models for large numbers of different input settings. Statistical surrogate models, or emulators, are key tools enabling fast exploration of the simulator input space. Gaussian processes have become standard for computer simulator emulation. However, they require careful implementation to scale appropriately, motivating alternative methods more recently introduced. We present a comparison study of surrogates of the Sea, Lake, and Overland Surges from Hurricanes (SLOSH) simulator—the simulator of choice for government agencies—using four emulation approaches: BASS; BART; SEPIA; and RobustGaSP. SEPIA and RobustGaSP use Gaussian processes, BASS implements adaptive splines, and BART is based on ensembles of regression trees. We describe the four models and compare them in terms of computation time and predictive metrics. These surrogates use proven and distinct methodologies, are available through accessible software, and quantify prediction uncertainty. Our data cover millions of response values. We find that SEPIA and RobustGaSP provide exceptional predictive power, but cannot scale to emulate experiments as large as the one considered in this paper as effectively as BASS and BART.

Hutchings, Grant↗
DOE OSTI2025

Validation of Photovoltaic Modeling Tool Solargraf Against Measured Data

Solargraf is a cloud-based 3D design tool by Enphase Energy that allows users to design solar and storage systems with a variety of elements. Through a Cooperative Research and Development Agreement (CRADA), Enphase Energy collaborated with the National Renewable Energy Laboratory (NREL) to validate Solargraf's 3D design simulation against measured PV system performance. This study follows the same methodology of similar validation studies completed at NREL. The predicted performance results from simulations in both Solargraf and NREL's System Advisor Model (SAM) tool were compared with measured data to evaluate performance predictions.

14 SOLAR ENERGY↗
DOE OSTI2020

Preliminary Analysis of Postclosure DPC Criticality Consequences

One of the objectives of the United States (U.S.) Department of Energy's (DOE) Office of Nuclear Energy's Spent Fuel and Waste Science and Technology Campaign is to better understand the technical basis, risks, and uncertainty associated with the safe and secure disposition of spent nuclear fuel (SNF) and high-level radioactive waste. Commercial nuclear power generation in the U.S. has resulted in thousands of metric tons of SNF, the disposal of which is the responsibility of the DOE (Nuclear Waste Policy Act 1982). Any repository licensed to dispose the SNF must meet requirements regarding the longterm performance of that repository. For an evaluation of the long-term performance of the repository, one of the events that may need to be considered is the SNF achieving a critical configuration. Of particular interest is the potential behavior of SNF in dual-purpose canisters (DPCs), which are currently being used to store and transport SNF but were not designed for permanent geologic disposal. A two-phase study has been initiated to begin examining the potential consequences, with respect to longterm repository performance, of criticality events that might occur during the postclosure period in a hypothetical repository containing DPCs. Phase I, a scoping phase, consisted of developing an approach intended to be a starting point for the development of the modeling tools and techniques that may eventually be required either to exclude criticality from or to include criticality in a performance assessment (PA) as appropriate; Phase I is documented in Price et al. (2019). The Phase I approach guided the analyses and simulations done in Phase II to further the development of these modeling tools and techniques as well as the overall knowledge base. The purpose of this report is to document the results of the analyses conducted during Phase II. The remainder of Section 1 presents the background, objective, and scope of this report, as well as the relevant key assumptions used in the Phase II analyses and simulations. Subsequent sections discuss the analyses that were conducted (Section 2), the results of those analyses (Section 3), and the summary and conclusions (Section 4). This report fulfills the Spent Fuel and Waste Science and Technology Campaign deliverable M2SF-20SN010305061.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Massively parallel axisymmetric fluid model for streamer discharges

A highly parallelizable fluid plasma simulation tool based upon the first-order drift-diffusion equations is discussed. Atmospheric pressure plasmas have densities and gradients that require small element sizes in order to accurately simulate the plasm resulting in computational meshes on the order of millions to tens of millions of elements for realistic size plasma reactors. To enable simulations of this nature, parallel computing is required and must be optimized for the particular problem. Here, a finite-volume, electrostatic drift-diffusion implementation for low-temperature plasma is discussed. The implementation is built upon the Message Passing Interface (MPI) library in C++ using Object Oriented Programming. The underlying numerical method is outlined in detail and benchmarked against simple streamer formation from other streamer codes. Electron densities, electric field, and propagation speeds are compared with the reference case and show good agreement. Convergence studies are also performed showing a minimal space step of approximately 4 μm required to reduce relative error to below 1% during early streamer simulation times and even finer space steps are required for longer times. Additionally, strong and weak scaling of the implementation are studied and demonstrate the excellent performance behavior of the implementation up to 100 million elements on 1024 processors. Lastly, different advection schemes are compared for the simple streamer problem to analyze the influence of numerical diffusion on the resulting quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗