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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling fission dynamics at the barrier in a discrete-basis formalism

A configuration-interaction model is presented for the barrier region of induced fission. The configuration space is composed of seniority-zero configurations constructed from self-consistent mean-field wave functions. The Hamiltonian matrix elements between configurations include diabatic and pairing interactions between particles. Other aspects of the Hamiltonian are treated statistically, guided by phenomenological input of compound-nucleus transmission coefficients. In this exploratory study the configuration space is restricted to neutron excitations only. A key observable calculated in the model is the fission-to-capture branching ratio. We find that both pairing and diabatic interactions are important for achieving large branching to the fission channels. In accordance with the transition-state theory of fission, the calculated branching ratio is found to be quite insensitive to the fission decay widths of the pre-scission configurations. Furthermore, the barrier-top dynamics appear to be quite different from transition-state theory in that the transport is distributed over many excited configurations at the barrier top.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Dynamic simulation and techno-economic analysis of a concentrated solar power (CSP) plant hybridized with both thermal energy storage and natural gas

The addition of thermal energy storage and natural gas as a complementary energy source improves the flexibility, reliability, and value of concentrated solar power (CSP) plants. Nevertheless, due to the transient nature of solar energy, transitions from solar-only mode and natural-gas mode to hybrid solar-natural gas mode is quite challenging, especially when the plant is equipped with thermal storage. Thus, it is important to develop proper dynamic modeling and control schemes to accurately simulate such transitions. The objective of this study is to address this subject by demonstrating a dynamic model with reliable control schemes for a highly integrated hybrid parabolic trough-natural gas plant equipped with thermal energy storage. The specific goal is to study the dynamics of adding thermal storage to the hybrid plant. It is found that the developed control schemes assist smooth transitions between different operational modes and effective utilization of thermal storage and natural gas to maintain steady power production and steam mass flow rates under different solar conditions. The results demonstrate that the integration of storage regulates power production by solar energy and natural gas during the day time. It also enables an increase in the solar fraction of the hybrid plant while it causes a small decrease in thermodynamic efficiency. The analysis shows that the hybrid plant with the storage has a substantially lower specific CO 2 emission (0.320 tonne/MWh) than single natural gas plant (0.413 tonne/MWh) although it has a higher levelized cost of electricity (86.32/MWh against 74.92/MWh). The hybrid plant with storage demonstrates a promising potential for reliable and clean production of electricity, although research and development should be conducted to lower its cost.

03 NATURAL GAS↗
DOE OSTI2022

Correlation between the gas-phase metallicity and ionization parameter in extragalactic H II regions

The variations of the metallicity and ionization parameter in H II regions are usually thought to be the dominant factors that produce the variations we see in the observed emission line spectra. There is an increasing amount of evidence that these two quantities are physically correlated, although the exact form of this correlation is debatable in the literature. Simulated emission line spectra from photoionized clouds provide important clues about the physical conditions of H II regions and are frequently used for deriving metallicities and ionization parameters. Through a systematic investigation on the assumptions and methodology used in applying photoionization models, we find that the derived correlation has a strong dependence on the choice of model parameters. On the one hand, models that give consistent predictions over multiple emission-line ratios yield a positive correlation between the metallicity and ionization parameter for the general population of H II regions or star-forming galaxies. On the other hand, models that are inconsistent with the data locus in high-dimensional line ratio space yield discrepant correlations when different subsets of line ratios are used in the derivation. The correlation between the metallicity and ionization parameter has a secondary dependence on the surface density of the star formation rate (SFR), with the higher SFR regions showing a higher ionization parameter but weaker correlations. The existence of the positive correlation contradicts the analytical wind-driven bubble model for H II regions. We explore assumptions in both dynamical models and photoionization models, and conclude that there is a potential bias associated with the geometry. However, this is still insufficient to explain the correlation. Mechanisms that suppress the dynamical influence of stellar winds in realistic H II regions might be the key to solving this puzzle, though more sophisticated combinations of dynamical models and photoionization models to test are required.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dynamic Phasor Modeling of Three Phase Voltage Source Inverters

With the increase in the development and implementation of distributed energy resources, application of parallel connected inverters is increasing and as a result having accurate modeling and simulation tools that can help in the design, analysis and stability assessment of the grid is of great importance. Development of fundamental methods that can achieve accurate, reliable, and computationally efficient results can be very beneficial. Application of Dynamic phasor (DP) modeling method has been limited to study of limited harmonics and small combination of interconnected converters due to the complexity associated with developing models that describe larger systems. In this paper, application of DP modeling method is expanded to model any number of parallel connected three phase voltage source inverter (VSI) with inclusion of a wider harmonic content including fundamental, subharmonics, inter-harmonics, switching frequency and their sidebands. Results achieved from this modeling method is compared with conventional average model as well as detailed switching model and the effect of inclusion of wider harmonic content on accuracy of DP modeling method is demonstrated.

Xue, Yaosuo↗
DOE OSTI2015

Swelling In Light Water Reactor Internal Components: Insights from Computational Modeling

A modern cluster dynamics model has been used to investigate the materials and irradiation parameters that control microstructural evolution under the relatively low-temperature exposure conditions that are representative of the operating environment for in-core light water reactor components. The focus is on components fabricated from austenitic stainless steel. The model accounts for the synergistic interaction between radiation-produced vacancies and the helium that is produced by nuclear transmutation reactions. Cavity nucleation rates are shown to be relatively high in this temperature regime (275 to 325°C), but are sensitive to assumptions about the fine scale microstructure produced under low-temperature irradiation. The cavity nucleation rates observed run counter to the expectation that void swelling would not occur under these conditions. This expectation was based on previous research on void swelling in austenitic steels in fast reactors. This misleading impression arose primarily from an absence of relevant data. The results of the computational modeling are generally consistent with recent data obtained by examining ex-service components. However, it has been shown that the sensitivity of the model s predictions of low-temperature swelling behavior to assumptions about the primary damage source term and specification of the mean-field sink strengths is somewhat greater that that observed at higher temperatures. Further assessment of the mathematical model is underway to meet the long-term objective of this research, which is to provide a predictive model of void swelling at relevant lifetime exposures to support extended reactor operations.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Numerically Controlled Machining Of Wind-Tunnel Models

New procedure for dynamic models and parts for wind-tunnel tests or radio-controlled flight tests constructed. Involves use of single-phase numerical control (NC) technique to produce highly-accurate, symmetrical models in less time.

Kovtun, John B.↗
DOE OSTI2024

Evaluating crown scorch predictions from a computational fluid dynamics wildland fire simulator

Abstract Background Crown scorch—the heating of live leaves, needles, and buds in the vegetative canopy to lethal temperatures without widespread combustion—is one of the most common fire effects shaping post-fire canopies. Despite the ability of computational fluid dynamic models to finely resolve fire activity and buoyant plume dynamics including heterogenous 3D distributions of forest canopy heating, these models have had only limited use in simulating fire effects and have not been used to evaluate crown scorch. Here, we demonstrate a method of evaluating crown scorch using a computational fluid dynamics model, FIRETEC, and validate this approach by simulating the experiments that were used to develop Van Wagner’s 1973 crown scorch model. Results The average scorch height prediction from FIRETEC compares well with the empirical model derived by Van Wagner, which is the most widely used empirical model for crown scorch. We further find that the 3D buoyant plume dynamics from a steady and homogeneous idealized heat source on the ground results in a spatially heterogenous crown scorch pattern reflecting complex heating dynamics that are best represented by percent scorch rather than height of scorch. Conclusions The ability of the computational fluid dynamics model to capture variation in crown scorch due to 3D buoyant plume dynamics provides direct links between forest structure, fire behavior, and fire effects that can be used by forest managers and researchers to better understand how fires result in crown damage under various environmental and management scenarios.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2009

Modeling the Dynamics and Export of Dissolved Organic Matter in the Northeastern U.S. Continental Shelf

Continental shelves are believed to play a major role in carbon cycling due to their high productivity. Particulate organic carbon (POC) burial has been included in models as a carbon sink, but we show here that seasonally produced dissolved organic carbon (DOC) on the shelf can be exported to the open ocean by horizontal transport at similar rates (1-2 mol C/sq m/yr) in the southern U.S. Mid-Atlantic Bight (MAB). The dissolved organic matter (DOM) model imbedded in a coupled circulation-biogeochemical model reveals a double dynamics: the progressive release of dissolved organic nitrogen (DON) in the upper layer during summer increases the regenerated primary production by 30 to 300%, which, in turns ; enhances the DOC production mainly from phytoplankton exudation in the upper layer and solubilization of particulate organic matter (POM) deeper in the water column. This analysis suggests that DOM is a key element for better representing the ecosystem functioning and organic fluxes in models because DOM (1) is a major organic pool directly related to primary production, (2) decouples partially the carbon and nitrogen cycles (through carbon excess uptake, POM solubilization and DOM mineralization) and (3) is intimately linked to the residence time of water masses for its distribution and export.

Druon, J.N.↗
NASA NTRS1997

Developments in Impeller/Seal Secondary Flow Path Modeling for Dynamic Force Coefficients and Leakage

This paper highlights bulk flow and CFD-based models prepared to calculate force and leakage properties for seals and shrouded impeller leakage paths. The bulk flow approach uses a Hir's based friction model and the CFD approach solves the Navier Stoke's (NS) equation with a finite whirl orbit or via analytical perturbation. The results show good agreement in most instances with available benchmarks.

Palazzolo, Alan↗
DOE OSTI2021

A data-driven peridynamic continuum model for upscaling molecular dynamics

Nonlocal models, including peridynamics, often use integral operators that embed lengthscales in their definition. However, the integrands in these operators are difficult to define from the data that are typically available for a given physical system, such as laboratory mechanical property tests. In contrast, molecular dynamics (MD) does not require these integrands, but it suffers from computational limitations in the length and time scales it can address. To combine the strengths of both methods and to obtain a coarse-grained, homogenized continuum model that efficiently and accurately captures materials’ behavior, we propose a learning framework to extract, from MD data, an optimal Linear Peridynamic Solid (LPS) model as a surrogate for MD displacements. To maximize the accuracy of the learnt model we allow the peridynamic influence function to be partially negative, while preserving the well-posedness of the resulting model. To achieve this, we provide sufficient well-posedness conditions for discretized LPS models with sign-changing influence functions and develop a constrained optimization algorithm that minimizes the equation residual while enforcing such solvability conditions. This framework guarantees that the resulting model is mathematically well-posed, physically consistent, and that it generalizes well to settings that are different from the ones used during training. We illustrate the efficacy of the proposed approach with several numerical tests for single layer graphene. Our two-dimensional tests show the robustness of the proposed algorithm on validation data sets that include thermal noise, different domain shapes and external loadings, and discretizations substantially different from the ones used for training.

homogenization↗
DOE OSTI2025

Improved Representations of Land‐Atmosphere Interactions Over the Continental U.S. Through Dynamic Root Modeling

Previous studies have identified the oversimplified root system representation as a key factor leading to inaccuracies in vegetation‐atmosphere feedbacks. In this study, a dynamic root water uptake scheme in the Noah‐MP land surface model has been coupled to the Weather Research and Forecasting (WRF) model to investigate its impact on the surface hydroclimate variables and land‐atmosphere interactions. To evaluate the impact of the dynamic root, two coupled simulations were conducted, one with the dynamic root water uptake scheme (DynRt) and one with the static root water uptake scheme (StcRt), which is based on the default root representation in Noah‐MP, with slight modifications, primarily in vegetation‐related parameters. Both DynRt and StcRt simulations were conducted with a small ensemble of three members to account for variations in physical parameterizations, initial and boundary forcing and model setup. When compared with reference data sets, the DynRt simulations show improved results than the StcRt simulations, reducing biases in the simulated leaf area index, surface energy fluxes, soil moisture and precipitation. Two different mechanisms through which roots affect land‐atmosphere coupling have been identified. Over the transitional climate zone between the dry and wet climate, the dynamic root scheme affects surface climate and land‐atmosphere coupling mainly through changes in soil moisture through hydraulic redistribution by plant root system. Over the energy‐limited mesic zone, the dynamic root affects regional land‐atmosphere coupling mainly through changes in carbon allocation. This work highlights the importance of dynamic root representation in improving vegetation‐atmosphere simulations by enhancing predictions of water, energy, and carbon fluxes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

A review of slip transfer: applications of mesoscale techniques

In this review article, we present and discuss recent mesoscale modeling studies of slip transmission of dislocations through biphase interfaces. Specific focus is given to fcc/fcc material systems. We first briefly review experimental, atomistic, and continuum-scale work that has helped to shape our understanding of these systems. Then several mesoscale methods are discussed, including Peierls–Nabarro models, discrete dislocation dynamics models, and phase field-based techniques. Recent extensions to the mesoscale mechanics technique called phase field dislocation dynamics are reviewed in detail. Results are compiled and discussed in terms of the proposed guidelines that relate composite properties to the critical stress required for a slip transmission event.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Varied phenomenology of models displaying dynamical large-deviation singularities

Singularities of dynamical large-deviation functions are often interpreted as the signal of a dynamical phase transition and the coexistence of distinct dynamical phases, by analogy with the correspondence between singularities of free energies and equilibrium phase behavior. Here we study models of driven random walkers on a lattice. These models display large-deviation singularities in the limit of large lattice size, but the extent to which each model's phenomenology resembles a phase transition depends on the details of the driving. We also compare the behavior of ergodic and nonergodic models that present large-deviation singularities. Finally, we argue that dynamical large-deviation singularities indicate the divergence of a model timescale, but not necessarily one associated with cooperative behavior or the existence of distinct phases.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Cellular Automaton Modeling of Dynamic Recrystallization of Nimonic 80A Superalloy Based on Inhomogeneous Distribution of Dislocations Inside Grains

A modified cellular automaton (CA) model in the time and space scale is developed to simulate the dynamic recrystallization (DRX) mechanism of Nimonic 80A nickel-base superalloy during hot deformation. Some necessary thermo-mechanical parameters used as input data in CA approach such as work hardening and softening coefficient are fitted according to the previous hot compression experiments. Based on the experimental results, nucleation kinetics is modified as a function of Zener-Holloman parameter. A dislocation density model at transient recrystallization boundary is proposed, in which the dislocation density is a function of temperature, strain rate and annealed dislocation density. The simulated results are in good agreement with experimental results, proving that the modified CA model is capable of predicting both flow behavior and microstructural evolution of Nimonic 80A during hot deformation. According to the experimental and simulated results, the DRX behavior is discussed in detail. It demonstrates that the flow stress and microstructural evolution of DRX have a relationship with the deformation temperature and strain rate.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Modeling Zone-3 Protection with Generic Relay Models for Dynamic Contingency Analysis

This paper presents a cohesive approach for calculating and coordinating the settings of multiple zone-3 protections for dynamic contingency analysis. The zone-3 protections are represented by generic distance relay models. A two-step approach for determining zone-3 relay settings is proposed. The first step is to calculate settings, particularly, the reach, of each zone-3 relay individually by iteratively running line open-end fault short circuit analysis; the blinder is also employed and properly set to meet the industry standard under extreme loading conditions. The second step is to systematically coordinate the protection settings of the zone-3 relays. The main objective of this coordination step is to address the over-reaching issues. We have developed a tool to automate the proposed approach and generate the settings of all distance relays in a PSS/E dyr format file. The calculated zone-3 settings have been tested on a modified IEEE 300 system using a dynamic contingency analysis tool (DCAT).

computational modeling↗