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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Influence of backup bearings and support structure dynamics on the behavior of rotors with active supports

Substantial progress has been made toward the goals of this research effort in the past six months. A simplified rotor model with a flexible shaft and backup bearings has been developed. The model is based upon the work of Ishii and Kirk. Parameter studies of the behavior of this model are currently being conducted. A simple rotor model which includes a flexible disk and bearings with clearance has been developed and the dynamics of the model investigated. The study consists of simulation work coupled with experimental verification. The work is documented in the attached paper. A rotor model based upon the T-501 engine has been developed which includes backup bearing effects. The dynamics of this model are currently being studied with the objective of verifying the conclusions obtained from the simpler models. Parallel simulation runs are being conducted using an ANSYS based finite element model of the T-501.

Flowers, George T.↗
NASA NTRS2016

Evaluating Multispectral Snowpack Reflectivity With Changing Snow Correlation Lengths

This study investigates the sensitivity of multispectral reflectivity to changing snow correlation lengths. Matzler's ice-lamellae radiative transfer model was implemented and tested to evaluate the reflectivity of snow correlation lengths at multiple frequencies from the ultraviolet (UV) to the microwave bands. The model reveals that, in the UV to infrared (IR) frequency range, the reflectivity and correlation length are inversely related, whereas reflectivity increases with snow correlation length in the microwave frequency range. The model further shows that the reflectivity behavior can be mainly attributed to scattering rather than absorption for shallow snowpacks. The largest scattering coefficients and reflectivity occur at very small correlation lengths (approximately 10(exp -5 m) for frequencies higher than the IR band. In the microwave range, the largest scattering coefficients are found at millimeter wavelengths. For validation purposes, the ice-lamella model is coupled with a multilayer snow physics model to characterize the reflectivity response of realistic snow hydrological processes. The evolution of the coupled model simulated reflectivities in both the visible and the microwave bands is consistent with satellite-based reflectivity observations in the same frequencies. The model results are also compared with colocated in situ snow correlation length measurements (Cold Land Processes Field Experiment 2002-2003). The analysis and evaluation of model results indicate that the coupled multifrequency radiative transfer and snow hydrology modeling system can be used as a forward operator in a data-assimilation framework to predict the status of snow physical properties, including snow correlation length.

Kang, Do Hyuk↗
NASA NTRS2008

Rotor Airloads Prediction Using Unstructured Meshes and Loose CFD/CSD Coupling

The FUN3D unsteady Reynolds-averaged Navier-Stokes solver for unstructured grids has been modified to allow prediction of trimmed rotorcraft airloads. The trim of the rotorcraft and the aeroelastic deformation of the rotor blades are accounted for via loose coupling with the CAMRAD II rotorcraft computational structural dynamics code. The set of codes is used to analyze the HART-II Baseline, Minimum Noise and Minimum Vibration test conditions. The loose coupling approach is found to be stable and convergent for the cases considered. Comparison of the resulting airloads and structural deformations with experimentally measured data is presented. The effect of grid resolution and temporal accuracy is examined. Rotorcraft airloads prediction presents a very substantial challenge for Computational Fluid Dynamics (CFD). Not only must the unsteady nature of the flow be accurately modeled, but since most rotorcraft blades are not structurally stiff, an accurate simulation must account for the blade structural dynamics. In addition, trim of the rotorcraft to desired thrust and moment targets depends on both aerodynamic loads and structural deformation, and vice versa. Further, interaction of the fuselage with the rotor flow field can be important, so that relative motion between the blades and the fuselage must be accommodated. Thus a complete simulation requires coupled aerodynamics, structures and trim, with the ability to model geometrically complex configurations. NASA has recently initiated a Subsonic Rotary Wing (SRW) Project under the overall Fundamental Aeronautics Program. Within the context of SRW are efforts aimed at furthering the state of the art of high-fidelity rotorcraft flow simulations, using both structured and unstructured meshes. Structured-mesh solvers have an advantage in computation speed, but even though remarkably complex configurations may be accommodated using the overset grid approach, generation of complex structured-mesh systems can require months to set up. As a result, many rotorcraft simulations using structured-grid CFD neglect the fuselage. On the other hand, unstructured-mesh solvers are easily able to handle complex geometries, but suffer from slower execution speed. However, advances in both computer hardware and CFD algorithms have made previously state-of-the-art computations routine for unstructured-mesh solvers, so that rotorcraft simulations using unstructured grids are now viable. The aim of the present work is to develop a first principles rotorcraft simulation tool based on an unstructured CFD solver.

Biedron, Robert T.↗
DOE OSTI2020

Phase-field model of deformation twin-grain boundary interactions in hexagonal systems

Here, a phase-field model for describing dynamic interactions between deformation twins and grain boundaries in a hexagonal close packed (HCP) metal is established. It is applied to simulating the coupled evolution mechanisms of grains and twins in magnesium (Mg) by probing the transmission of $\{10\bar{1}2\}$ deformation twins across grain boundaries. We analyze the effect of the strain relaxation near a grain boundary, which is related to the geometric compatibility arising from the misorientation angle between adjoining grains. Phase-field simulations demonstrate that twin transmission across a grain boundary into a neighboring grain leads to grain boundary migration towards the neighboring grain with a reduced grain boundary width. The preferred nucleation site of new twin variant in the neighboring grain is related to the elastic interaction energy distribution. These predicted transmission behaviors agree well with existing experimental observations and molecular dynamics simulations. By analyzing set of systematic phase-field simulation results, we establish a rotation-angle-related twin variant selection rule for analyzing the transmission of $\{10\bar{1}2\}$ deformation twins across grain boundaries in Mg and its alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modeling the impact of extreme weather events and future climate on the radiologically contaminated sites of Enewetak Atoll

Enewetak Atoll underwent 43 historical nuclear tests from 1948 to 1958, including the first hydrogen bomb test, resulting in a substantial nuclear material fallout contaminating the Atoll and the lagoon waters. The radionuclide fallout material deposited in lagoon sediments and land soil will remain for decades to come. With intensifying climate and extreme weather events, the possibility of redistribution of deposited radionuclide material has become a great concern. This study uses a numerical modeling approach to estimate the potential elevated radionuclide concentrations that can be distributed during storm events under current and future climates. We simulated three historical storm scenarios that are most likely to impact Atoll’s environment and remobilize the radionuclide-bound sediments. WRF-ARW was used to reconstruct these storm scenarios under current year (2015) and future year (2090) climates. Storm-induced ocean hydrodynamics conditions were generated using FVCOM. FVCOM-ICM was externally coupled to simulate the fate and transport of radionuclides. Given that the 239 Pu is the largest inventory of the lagoon and Atoll islands, the model results show the highest average 239 Pu concentration that an island may be exposed to is 3.25E-4 Bq/m 3 (becquerel per cubic meters), which is an increase of 84 times the average baseline/existing 239 Pu concentration without the storm conditions. The overall increase in 239 Pu average over all the islands of Atoll is about 20 folds relative to the baseline concentration. Despite the high relative increase ratios, the significantly low activity concentrations may not pose an immediate exposure risk. However, due to the limitations of the study and uncertainties/biases in the historical data used, further research supported by field surveys to better characterize the current contamination level may be needed to make more accurate predictions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Crystal mechanics-based thermo-elastic constitutive modeling of orthorhombic uranium using generalized spherical harmonics and first-order bounding theories

In earlier works, a mathematical procedure for invertible microstructure-property linkages was developed using computationally efficient spectral methods for polycrystalline cubic and hexagonal metals. This paper formulates such invertible microstructure–property linkages for orthorhombic polycrystalline metals relying on the generalized spherical harmonics (GSH) spectral basis. The procedure is used to compute property closures of orthorhombic polycrystals. The closures represent the complete set of theoretically possible combinations of effective properties for a selected material. The procedure relies on the first-order bounding theories and considers orientation distribution functions (ODFs) as the main microstructural descriptor influencing homogenized properties. Numerous examples of these closures involving second-rank thermal expansion and fourth-rank elastic stiffness tensorial properties over a broad range of temperatures are presented for α-uranium (α-U). In doing so, certain key properties of these closures are exploited to facilitate their computation with drastically reduced computational effort. Along with the recently developed GSH-based interpolation procedure for ODFs from coarsely spaced experimental measurement grids to finely spaced finite element mesh resolution grids presented in Barrett et al., the developed computationally efficient ODF-effective property linkages are used to establish a crystal mechanics-based simulation framework coupled with the finite element method (FEM). The ODF dependent thermal expansion and elastic stiffness tensors are efficiently calculated at every integration point and used by the FEM to predict the overall distortion of a hemispherical part made of α-U during heating. In conclusion, it is shown that the developed framework can be used to simulate microstructurally heterogeneous components under thermo-mechanical loadings in a computationally efficient manner.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Simulation scaling studies of reactor core two-phase flow using direct numerical simulation

Tremendous growth in supercomputing power in recent years has resulted in the emergence of high-resolution flow analysis methods as an advanced research tool to evaluate single and two-phase flow behavior. In particular, unstructured mesh-based methods have been applied to analyze flows in complex reactor core geometries, including those of light water reactors (LWR). The finite-element based code, PHASTA, is utilized to perform large-scale simulations of two-phase bubbly flows in LWR geometries. Given the large computational cost of direct numerical simulation (DNS) coupled with interface tracking methods (ITM), typical domains encompass a portion of a single subchannel. In the presented research, the state-of-the-art analysis of turbulent two-phase flows in complex LWR subchannel geometries are demonstrated at both prototypical reactor parameters as well as scaled low pressure conditions. Three different cases are studied, a high-pressure simulation in prototypical reactor subchannel geometry, a low-pressure case in prototypical geometry and a final low-pressure case in a geometry scaled up to conserve the ratio between the bubble size and the domain pitch. Utilizing advanced statistical processing tools, these simulation conditions are compared to shed light on the relevancy of two-phase flow characteristics given the significant differences between LWR and low-pressure conditions. These findings can lead to the generation of useful guiding principles when researchers need to scale the two-phase flow behavior captured at low pressure and temperature conditions to those at reactor operating conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

E3SMv1 simulation output from sensitivity study on aerosol process coupling

This dataset contains annual mean and 6-hourly output data from a set of E3SMv1 simulations that demonstrates the impact of numerical process coupling on the simulated dust life cycle. The simulations are documented and analyzed in the attached manuscript (pdf file). Publishing the manuscript in a peer-reviewed journal will require making the model output publicly available. We plan to use DataHub for that. The data files to be uploaded are currently saved on Compy under /compyfs/wanh895/scidac_share/cflx_2023/

Wan, Hui↗
DOE OSTI2021

Implementing a Stochastic Soot Model in a 3D Domain

In this document a highly detailed stochastic soot model limited to 0D simulations is coupled to 3D domains through the use of a Lagrangian parcel-Eulerian fluid method. Although both the stochastic soot model used and the Lagrangian parcel-Eulerian fluid method have long histories of development, their use, as described in this document, is novel and useful. Previous works significant to the model's development include documents from both the stochastic and simpler soot model genre and the fuel, aerosol, and other particle tracking and Lagrangian parcel-Eulerian fluid genres. Developing the theory behind the model is crucial to its implementation because of the unconventional Lagrangian parcel-Eulerian fluid representation. In fact, the Lagrangian parcel-Eulerian fluid coupling is only a means of simplifying the much more difficult theoretical model. Despite the accompanying assumptions, the complete model is validated from the bottom up and then again in a holistic fashion with promising results. Then the model is used in multiple case studies, showcasing capabilities not had by other models. The optical properties of soot generated in a Spray A simulation are calculated to find measured results are likely overpredicting the mass of soot along the central axis via KL extinction measurements. A thermophoresis submodel that calculates force based on the soot particles' shape is installed to find it has a high influence on the path of the heaviest soot particles. Investigations into the HACA mechanism for soot growth and the effect of syngas on soot in 3D domains are performed with much more detail than has been available before.

Strickland, Tyler↗
DOE OSTI2024

In‐Operando Spatiotemporal Imaging of Coupled Film‐Substrate Elastodynamics During an Insulator‐to‐Metal Transition

Abstract The drive toward non‐von Neumann device architectures has led to an intense focus on insulator‐to‐metal (IMT) and the converse metal‐to‐insulator (MIT) transitions. Studies of electric field‐driven IMT in the prototypical VO 2 thin‐film channel devices are largely focused on the electrical and elastic responses of the films, but the response of the corresponding TiO 2 substrate is often overlooked, since it is nominally expected to be electrically passive and elastically rigid. Here, in‐operando spatiotemporal imaging of the coupled elastodynamics using X‐ray diffraction microscopy of a VO 2 film channel device on TiO 2 substrate reveals two new surprises. First, the film channel bulges during the IMT, the opposite of the expected shrinking in the film undergoing IMT. Second, a microns thick proximal layer in the substrate also coherently bulges accompanying the IMT in the film, which is completely unexpected. Phase‐field simulations of coupled IMT, oxygen vacancy electronic dynamics, and electronic carrier diffusion incorporating thermal and strain effects suggest that the observed elastodynamics can be explained by the known naturally occurring oxygen vacancies that rapidly ionize (and deionize) in concert with the IMT (MIT). Fast electrical‐triggering of the IMT via ionizing defects and an active “IMT‐like” substrate layer are critical aspects to consider in device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of Computational Schemes on Coupled Flow and Geo-Mechanical Modeling of CO 2 Leakage through a Compromised Well

Carbon capture, utilization, and storage (CCUS) describes a set of technically viable processes to separate carbon dioxide (CO 2 ) from industrial byproduct streams and inject it into deep geologic formations for long-term storage. Legacy wells located within the spatial domain of new injection and production activities represent potential pathways for fluids (i.e., CO 2 and aqueous phase) to leak through compromised components (e.g., through fractures or micro-annulus pathways). The finite element (FE) method is a well-established numerical approach to simulate the coupling between multi-phase fluid flow and solid phase deformation interactions that occur in a compromised well system. We assumed the spatial domain consists of a three-phases system: a solid, liquid, and gas phase. For flow in the two fluids phases, we considered two sets of primary variables: the first considering capillary pressure and gas pressure (PP) scheme, and the second considering liquid pressure and gas saturation (PS) scheme. Fluid phases were coupled with the solid phase using the full coupling (i.e., monolithic coupling) and iterative coupling (i.e., sequential coupling) approaches. The challenge of achieving numerical stability in the coupled formulation in heterogeneous media was addressed using the mass lumping and the upwinding techniques. Numerical results were compared with three benchmark problems to assess the performance of coupled FE solutions: 1D Terzaghi’s consolidation, Liakopoulos experiments, and the Kueper and Frind experiments. We found good agreement between our results and the three benchmark problems. For the Kueper and Frind test, the PP scheme successfully captured the observed experimental response of the non-aqueous phase infiltration, in contrast to the PS scheme. These exercises demonstrate the importance of fluid phase primary variable selection for heterogeneous porous media. We then applied the developed model to the hypothetical case of leakage along a compromised well representing a heterogeneous media. Considering the mass lumping and the upwinding techniques, both the monotonic and the sequential coupling provided identical results, but mass lumping was needed to avoid numerical instabilities in the sequential coupling. Additionally, in the monolithic coupling, the magnitude of primary variables in the coupled solution without mass lumping and the upwinding is higher, which is essential for the risk-based analyses.

deformation flow↗
DOE OSTI2022

Coupled Monte Carlo and thermal-hydraulics modeling of a prismatic gas reactor fuel assembly using Cardinal

Cardinal is a MOOSE application that couples OpenMC Monte Carlo transport and NekRS computational fluid dynamics to the MOOSE framework, closing the neutronics and thermal-fluid gaps in conducting tightly-coupled, high-resolution multiscale and multiphysics analyses. By leveraging MOOSE's interfaces for wrapping external codes, Cardinal overcomes many challenges encountered in earlier multiphysics coupling works, such as file-based I/O or overly-restrictive geometry mapping requirements. In this work, we leverage a subset of the multiphysics interfaces in Cardinal to perform coupling of OpenMC neutron transport, MOOSE heat conduction, and THM thermal-fluids for steady-state modeling of a prismatic gas reactor fuel assembly.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2016

Impact of Soil Moisture Assimilation on Land Surface Model Spin-Up and Coupled LandAtmosphere Prediction

Advances in satellite monitoring of the terrestrial water cycle have led to a concerted effort to assimilate soil moisture observations from various platforms into offline land surface models (LSMs). One principal but still open question is that of the ability of land data assimilation (LDA) to improve LSM initial conditions for coupled short-term weather prediction. In this study, the impact of assimilating Advanced Microwave Scanning Radiometer for EOS (AMSR-E) soil moisture retrievals on coupled WRF Model forecasts is examined during the summers of dry (2006) and wet (2007) surface conditions in the southern Great Plains. LDA is carried out using NASAs Land Information System (LIS) and the Noah LSM through an ensemble Kalman filter (EnKF) approach. The impacts of LDA on the 1) soil moisture and soil temperature initial conditions for WRF, 2) land-atmosphere coupling characteristics, and 3) ambient weather of the coupled LIS-WRF simulations are then assessed. Results show that impacts of soil moisture LDA during the spin-up can significantly modify LSM states and fluxes, depending on regime and season. Results also indicate that the use of seasonal cumulative distribution functions (CDFs) is more advantageous compared to the traditional annual CDF bias correction strategies. LDA performs consistently regardless of atmospheric forcing applied, with greater improvements seen when using coarser, global forcing products. Downstream impacts on coupled simulations vary according to the strength of the LDA impact at the initialization, where significant modifications to the soil moisture flux- PBL-ambient weather process chain are observed. Overall, this study demonstrates potential for future, higher-resolution soil moisture assimilation applications in weather and climate research.

soil moisture↗
DOE OSTI2022

The mechanism for acetate formation in electrochemical CO (2) reduction on Cu: selectivity with potential, pH, and nanostructuring

Nanostructured Cu catalysts have increased the selectivities and geometric activities for high value C–C coupled (C 2 ) products (ethylene, ethanol, and acetate) in the electrochemical CO (2) reduction reaction (CO (2) RR). The selectivity among the high-value C 2 products is also altered, where for instance the yield of acetate increases with alkalinity and is dependent on the catalyst morphology. The reaction mechanisms behind the selectivity towards acetate vs. other C 2 products remain controversial. In this work, we elucidate the reaction mechanism for acetate formation by using ab initio simulations, a coupled kinetic-transport model, and loading dependent experiments. We find that trends in acetate selectivity can be rationalized from variations in electrolyte pH and the local mass transport properties of the catalyst and not from changes in Cu's intrinsic activity. The selectivity mechanism originates from the transport of ketene, a stable (closed shell) intermediate, away from the catalyst surface into solution where it reacts to form acetate. While this type of mechanism has not yet been discussed in the CO (2) RR, variants of it may explain similar selectivity fluctuations observed for other stable intermediates like CO and acetaldehyde. Our proposed mechanism suggests that acetate selectivity increases with increasing pH, decreasing catalyst roughness and significantly varies with the applied potential.

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

What can simulation test beds teach us about social science? Results of the ground truth program

The ground truth program used simulations as test beds for social science research methods. The simulations had known ground truth and were capable of producing large amounts of data. This allowed research teams to run experiments and ask questions of these simulations similar to social scientists studying real-world systems, and enabled robust evaluation of their causal inference, prediction, and prescription capabilities. We tested three hypotheses about research effectiveness using data from the ground truth program, specifically looking at the influence of complexity, causal understanding, and data collection on performance. We found some evidence that system complexity and causal understanding influenced research performance, but no evidence that data availability contributed. The ground truth program may be the first robust coupling of simulation test beds with an experimental framework capable of teasing out factors that determine the success of social science research.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy

Accurately simulating the linear and nonlinear electronic spectra of condensed phase systems and accounting for all physical phenomena contributing to spectral line shapes presents a significant challenge. Vibronic transitions can be captured through a harmonic model generated from the normal modes of a chromophore, but it is challenging to also include the effects of specific chromophore–environment interactions within such a model. We work to overcome this limitation by combining approaches to account for both explicit environment interactions and vibronic couplings for simulating both linear and nonlinear optical spectra. We present and show results for three approaches of varying computational cost for combining ensemble sampling of chromophore–environment configurations with Franck–Condon line shapes for simulating linear spectra. We present two analogous approaches for nonlinear spectra. Simulated absorption spectra and two-dimensional electronic spectra (2DES) are presented for the Nile red chromophore in different solvent environments. Furthermore, employing an average Franck–Condon or 2DES line shape appears to be a promising method for simulating linear and nonlinear spectroscopy for a chromophore in the condensed phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Online transfer learning strategy for enhancing the scalability and deployment of deep reinforcement learning control in smart buildings

In recent years, advanced control strategies based on Deep Reinforcement Learning (DRL) proved to be effective in optimizing the management of integrated energy systems in buildings, reducing energy costs and improving indoor comfort conditions when compared to traditional reactive controllers. However, the scalability and implementation of DRL controllers are still limited since they require a considerable amount of time before converging to a near-optimal solution. This issue is currently addressed in literature through the offline pre-training of the DRL agent. However this solution results in two main critical issues: (1) the need to develop a building surrogate model to perform the training task, and (2) the need to perform a fine-tuning process over several training episodes to obtain a near-optimal control policy. In this context, this paper introduces an Online Transfer Learning (OTL) strategy that exploits two knowledge-sharing techniques, weight-initialization and imitation learning, to transfer a DRL control policy from a source office building to various target buildings in a simulation environment coupling EnergyPlus and Python. A DRL controller based on discrete Soft Actor–Critic (SAC) is trained on the source building to manage the operation of a cooling system consisting of a chiller and a thermal storage. Several target buildings are defined to benchmark the performance of the OTL strategy with that of a Rule-Based Controller (RBC) and two DRL-based control strategies, deployed in offline and online fashion. The strategy adopted for OTL emulates the real world implementation with a simulation process by implementing the transferred DRL agent for a single episode in the target buildings. Target buildings have the same geometrical features and are served by the same energy system as the source building, but differ in terms of weather conditions, electricity price schedules, occupancy patterns, and building envelope efficiency levels. The results show that the OTL strategy can reduce the cumulated sum of temperature violations on average by 50% and 80% respectively when compared to RBC and online DRL while enhancing the energy system operation with electricity cost savings ranging between 20% and 40%. Furthermore, the OTL agent performs slightly worse than the offline DRL controller but it does not require any modeling effort and can be implemented directly on target buildings emulating a real-world implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗