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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-Fidelity Numerical Investigation on Elucidating Sodium Heat Transfer Characteristics for 37-Pin Wire-Wrapped Fuel Bundle in the PLANDTL Facility

This study involved a Reynolds-averaged Navier-Stokes- (RANS-) based computational fluid dynamics (CFD) analysis of the 37-pin wire-wrapped fuel bundle of the PNC Plant dynamics test loop (PLANDTL) facility. Previously, mainly the hydrodynamic phenomena of the wire-wrapped fuel bundle were analyzed, but the present study additionally included heat transfer analysis through conjugate heat transfer. The main purpose of the study was to benchmark the experimental data of the PLANDTL 37-pin wire-wrapped fuel bundle to investigate the heat transfer phenomena. In addition, the aim was to verify the accuracy of the RANS-based CFD analysis method using the STAR-CCM+ simulation software in comparison with the experimental data. The grid used for verification was an innovative grid system consisting of hexahedra using Fortran-based code. The development of the RANS-based CFD methodology included grid sensitivity analysis, turbulence model sensitivity analysis, and turbulent Prandtl number sensitivity analysis. Information on the temperature, mass flow rate, and area of the CFD results for each subchannel was provided for the top of the heated section and is expected to serve as a reference for future studies aiming to perform the validation and verification of a PLANDTL facility. In addition, the dependence of the peak temperature on the azimuth angle of each pin was analyzed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

ANDES (ARGONNE NUCLEAR DATA EXPLORATION SOFTWARE) - ndviz

The Argonne Nuclear Data Exploration Software (ANDES) is a collection of open-source C++ codes and ROOT scripts that enable the visualization of patterns emerging from nuclear data. From this global view, well-known phenomena such as major nuclear shell closures and pairing effects near N=Z nuclei, as well as more subtle features, such as quantum phase transition around the Zr isotopes or the charge radius staggering in the Hg isotopes, can be observed. This visualization tool apart from having pedagogic application can serve as a tool for discovering previously unknown phenomena in the nuclear chart.

Santiago-Gonzalez, Daniel↗
DOE OSTI2020

ANDES (ARGONNE NUCLEAR DATA EXPLORATION SOFTWARE) - Physics Tools

A collection of physics tools used by the ANDES. The Argonne Nuclear Data Exploration Software (ANDES) is a collection of open-source C++ codes and ROOT scripts that enable the visualization of patterns emerging from nuclear data. From this global view, well-known phenomena such as major nuclear shell closures and pairing effects near N=Z nuclei, as well as more subtle features, such as quantum phase transition around the Zr isotopes or the charge radius staggering in the Hg isotopes, can be observed. This visualization tool apart from having pedagogic application can serve as a tool for discovering previously unknown phenomena in the nuclear chart.

Santiago-Gonzalez, Daniel↗
DOE OSTI2024

Nonlinear manifold reduced order model

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov n-width. However, for physical phenomena not of this type, e.g., any advection-dominated flow phenomena such as in traffic flow, atmospheric flows, and air flow over vehicles, a lowdimensional linear subspace poorly approximates the solution. To address cases such as these, we have developed a fast and accurate physics-informed neural network ROM, namely nonlinear manifold ROM (NM-ROM), which can better approximate high-fidelity model solutions with a smaller latent space dimension than the LS-ROMs. Our software takes advantage of the existing numerical methods that are used to solve the corresponding full order models. The efficiency is achieved by developing a hyper-reduction technique in the context of the NM-ROM. Numerical results show that neural networks can learn a more efficient latent space representation on advection-dominated data from 1D and 2D Burgers' equations. A speedup of up to 2.6 for 1D Burgers' and a speedup of 11.7 for 2D Burgers' equations are achieved with an appropriate treatment of the nonlinear terms through a hyper-reduction technique.

Choi, Youngsoo↗
DOE OSTI2026

Fortran mimetic abstraction language (Formal) v0.1.

The Fortran mimetic abstraction language ("Formal") is a domain-specific language (DSL) embedded in Fortran 202Y [1]. Formal provides novel software abstractions for simulating phenomena governed by the partial differential equations (PDEs) of vector and tensor calculus. Such equations model an extremely broad set of physical phenomena, ranging from atmospheric winds to light propagation. Formal's data structures and algorithms mimic in form and behavior continuous functions and operators. Formal supports these mathematical constructs using mimetic discretizations that define a discrete calculus satisfying various tensor calculus theorems, thereby ensuring high-fidelity representations of the physics being modeled. [2] Formal 0.1.0 also lays a foundation for the future use of Fortran 202Y type-safe templates to facilitate the formal verification of tensor contractions in computational physics and artificial intelligence [3]. [1] "Fortran 202Y" is Fortran standard committee's informal designation for the next Fortran revision, which will likely be "Fortran 2028". [2] Corbino, J. and Castillo, J. (2020) Journal of Computational and Applied Mathematics, https://doi.org/10.1016/j.cam.2019.06.042. [3] Haveraaen, M., Järvi, J., & Rouson, D. (2019). Reflecting on Generics for Fortran. https://j3-fortran.org/doc/year/19/19-188.pdf.

Rouson, Damian [Lawrence Berkeley National Laborat↗
DOE OSTI2020

The ongoing need for high-resolution regional climate models: Process understanding and stakeholder information

Regional climate modeling addresses our need to understand and simulate climatic processes and phenomena unresolved in global models. High resolution models are generally more skillful in simulating extremes, such as heavy precipitation, strong winds, and severe storms. In addition, research has shown that fine-scale features such as mountains, coastlines, lakes, irrigation, land use, and urban heat islands can substantially influence a region’s climate and its response to changing forcings. Regional climate simulations explicitly simulating convection are now being performed, providing an opportunity to illuminate new physical behavior that previously was represented by parameterizations with large uncertainties. Regional and global models are both advancing toward higher resolution, as computational capacity increases. However, the resolution and ensemble size necessary to produce a sufficient statistical sample of these processes in global models has proven too costly for contemporary supercomputing systems. Regional climate models are thus indispensable tools that complement global models for understanding regional climate variability and change, and are critical for supporting societal responses to changing climate.

Gutowski, William↗
DOE OSTI2026

Improving Process Level Understanding of Boundary Layer Winds over the Northeast U.S. Shelf: The Third Wind Forecast Improvement Project (WFIP3)

The third Wind Forecast Improvement Project (WFIP3), a U.S. Department of Energy and National Oceanic and Atmospheric Administration sponsored investigation, sought to improve understanding of the physical phenomena in the atmosphere and ocean that dictate the structure and variability of wind and thermodynamic fields within the marine atmospheric boundary layer. WFIP3 focused on mesoscale and submesoscale flows -- including sea breezes, low-level jets, low-level clouds, and coastal storms -- and the ability of advanced numerical model parameterizations to represent them within fully coupled oceanic and atmospheric modeling systems and foundational weather forecast models. WFIP3 conducted a comprehensive 18-month observational study over the Northeast U.S. outer continental shelf, a high-use coastal zone, using a 3D multiscale sensor array to highly resolve the temporal, vertical, and horizontal structure of the coupled atmospheric and oceanic boundary layers. Multiple land-based study sites adjacent to the coastal ocean observed surface meteorology and vertical profiles of atmospheric properties via passive infrared and microwave radiometers, active lidars and radars, and radiosondes. At sea, an array of surface flux buoys and two vertical profiling lidar buoys observed both atmospheric and oceanic properties, augmented by land-based oceanographic radar systems and routine ship-based surveys. Intensive observations of the marine atmospheric boundary layer over the ocean was done from an air-sea interaction flux tower and extended deployments of a large autonomous barge platform. Numerous critical forecasting phenomena were observed that are being evaluated within regional coupled and uncoupled modeling systems, including the National Oceanic and Atmospheric Administration's foundational High-Resolution Rapid Refresh forecast model.

Kirincich, Anthony↗
DOE OSTI2020

Characterizing NWP Model Errors Using Doppler-Lidar Measurements of Recurrent Regional Diurnal Flows: Marine-Air Intrusions into the Columbia-River Basin

Ground-based Doppler-lidar instrumentation provides atmospheric wind data at dramatically improved accuracies and spatial/temporal resolutions. These capabilities have provided new insights into atmospheric flow phenomena, but they also should have a strong role in NWP model improvement. Insight into the nature of model errors can be gained by studying recurrent atmospheric flows, here a regional summertime diurnal sea breeze and subsequent marine-air intrusion into the arid interior of Oregon-Washington, where these winds are an important windenergy resource. These marine intrusions were sampled by three scanning Doppler lidars in the Columbia-River Basin as part of the Second Wind Forecast Improvement Project (WFIP2), using data from summer 2016. Lidar time-height cross sections of wind speed identified eight days when the diurnal-flow cycle, (peak wind speeds at midnight, afternoon minima) was obvious and strong. Eight-day composite time-height cross sections of lidar wind speeds are used to validate those generated by the operational NCEP-HRRR model. HRRR simulated the diurnal wind cycle, but produced errors in the timing of onset and significant errors due to a premature nighttime demise of the intrusion flow, producing low-bias errors of 6 m s-1 . Day-to-day and in the composite, whenever a marine intrusion occurred, HRRR made these same errors. The errors occurred under a range of gradient wind conditions indicating that they resulted from the misrepresentation of physical processes within a limited region around the measurement locations. Because of their generation within a limited geographical area, field-measurement programs can be designed to find and address the sources of these NWP errors.

Banta, Robert M.↗
DOE OSTI2024

Subseasonal Variability of U.S. Coastal Sea Level from MJO and ENSO Teleconnection Interference

Abstract Climate variability affects sea levels as certain climate modes can accelerate or decelerate the rising sea level trend, but subseasonal variability of coastal sea levels is underexplored. This study is the first to investigate how remote tropical forcing from the MJO and ENSO impact subseasonal U.S. coastal sea level variability. Here, composite analyses using tide gauge data from six coastal regions along the U.S. East and West Coasts reveal influences on sea level anomalies from both the MJO and ENSO. Tropical MJO deep convection forces a signal that results in U.S. coastal sea level anomalies that vary based on MJO phase. Further, ENSO is shown to modulate both the MJO sea level response and background state of the teleconnections. The sea level anomalies can be significantly enhanced or weakened by the MJO-associated anomaly along the East Coast due to constructive or destructive interference with the ENSO-associated anomaly, respectively. The West Coast anomaly is found to be dominated by ENSO. We examine physical mechanisms by which MJO and ENSO teleconnections impact coastal sea levels and find consistent relationships between low-level winds and sea level pressure that are spatially varying drivers of the variability. Two case studies reveal how MJO and ENSO teleconnection interference played a role in notable coastal flooding events. Much of the focus on sea level rise concerns the long-term trend associated with anthropogenic warming, but on shorter time scales, we find subseasonal climate variability has the potential to exacerbate the regional coastal flooding impacts. Significance Statement Coastal flooding due to sea level rise is increasingly threatening communities, but natural fluctuations of coastal sea levels can exacerbate the human-caused sea level rise trend. This study assesses the role of tropical influences on coastal subseasonal (2 weeks–3 months) sea level heights. Further, we explore the mechanisms responsible, particularly for constructive interference of signals contributing to coastal flooding events. Subseasonal signals amplify or suppress the lower-frequency signals, resulting in higher or lower sea level heights than those expected from known climate modes (e.g., ENSO). Low-level onshore winds and reduced sea level pressure connected to the tropical phenomena are shown to be indicators of increased U.S. coastal sea levels, and vice versa. Two case studies reveal how MJO and ENSO teleconnection interference played a role in notable coastal flooding events. Much of the focus on sea level rise concerns the long-term trend associated with anthropogenic warming, but on shorter time scales, we find subseasonal climate variability has the potential to exacerbate the regional coastal flooding impacts.

Meteorology & Atmospheric Sciences↗
DOE OSTI2023

A computational fluid dynamics model to estimate local quantities in firebrand char oxidation

Firebrand burning is a complex phenomenon that is influenced by several parameters which are difficult to fully explore experimentally. Computational fluid dynamics models capable of predicting local quantities are essential for accurate prediction of char oxidation in firebrands. This article presents a computational fluid dynamics model to estimate firebrand mass loss, diameter change, and surface temperature during char oxidation. The model was validated using previously conducted wind tunnel experiments. These experiments were conducted for firebrands of two different aspect ratios, which were arranged in three different configurations (single, horizontal array, and vertical array), and for four different wind speeds (0.5, 1, 1.5, and 2 m/s). The computational fluid dynamics results were compared with a previous 1 D model. In all the test cases, the computational fluid dynamics model predicted the physical phenomena with significantly improved accuracy compared to a 1 D model. The char oxidation model presented in this article can be coupled with other models to study firebrand generation and trajectory, biomass pyrolysis, fluidized bed reactors, and coal combustion.

Engineering↗
DOE OSTI2021

The effect of transient needle lift on the internal flow and near-nozzle spray characteristics for modern GDI systems investigated by high-speed X-ray imaging

The development of the injector nozzle is a dynamic area in regard of several technical aspects. At first, the internal flow influences the near-field spray characteristics via various phenomena such as cavitation and turbulence. However, these phenomena are not fully understood due to their extremely fast, complex and multiscale nature. Furthermore, it governs the spray targeting inside the combustion chamber. High-speed X-ray imaging of GDI injector nozzles is performed in this study. The experimental results presented are related to the internal flow and primary breakup of discharged liquid jets. The injectors used are equipped with nozzles made of aluminum which have been specially developed for these investigations to enhance optical accessibility. The visualization of the needle motion, in-nozzle flow and the primary breakup region provides several exciting observations. First, the needle lift tracking exhibits short overshooting right before the steady-state of the injection phase. Additionally, this event leads to a short-term, however, significant change in the associated performance of the breakup. This phenomenon is found to be a consequence of the transient behavior of the in-nozzle flow. It is shown that under some circumstances hydraulic flip may occur during this overshooting period. The primary jet breakup region is visualized and evaluated by means of image processing. Thus, the transient behavior of liquid jet expansion is quantified in the vicinity of the nozzle. It is observed that the liquid jet direction deviates from the hole axis already at the nozzle outlet, which is caused by internal flow characteristics.

42 ENGINEERING↗
DOE OSTI2023

Preliminary Nuclear Containment Vessel Modeling for Multi-Hazard Probabilistic Risk Assessment under Seismic Hazards and Concrete Degradation

The current practice for natural phenomena hazards (NPH) risk assessment of nuclear facilities is to compute the risk for each hazard independently and then compound the total risk as a combination of single hazard risks. This state of practice does not consider correlations between hazards and the cascading impacts to structures, systems, and components (SSCs), and could thus underestimate the NPH risk or overestimate the nuclear facility safety. Events such as the Fukushima Daiichi accident have highlighted the importance of multi-hazard risk considerations to nuclear power plants (NPPs) that quantify the cascading damage effects to SSCs in the risk models. Moreover, the current fleet of NPPs in the United States is aging; these NPPs are now expected to operate well beyond their initially planned design life. Aging-related deterioration can potentially decrease the capacity of critical structures such as containment vessels to withstand NPH. Such aging considerations may not be adequately accounted for by the current NPH risk assessment guidelines. This paper presents a preliminary modeling and simulation of a representative reinforced concrete containment vessel subjected to seismic mainshock and aftershock considering concrete degradation due to alkali silica reaction. The broader aim is to develop multi-hazard time-dependent fragility functions that could be subsequently used in the probabilistic risk assessment (PRA) model. The multi-hazard component comes into play due to the consideration of damage to the containment vessel under seismic loads and concrete degradation. Consideration of concrete degradation also brings into play the time-dependent nature of the containment vessel response. The response of the containment vessel under varying degrees of concrete degradation to seismic loads is investigated. The results presented are simulated using the Multi-hazard Analysis for STOchastic time-DOmaiN phenomena (MASTODON) software for seismic analysis and the Blackbear software for concrete degradation and damage modeling. Both software are open source and developed within the Multiphysics Object-Oriented Simulation Environment (MOOSE).

42 ENGINEERING↗
DOE OSTI2025

An Instrumented Capsule Design to Measure Thermal Conductivity in Miniature UO2 Specimens

Numerous separate effects irradiations of miniature nuclear fuel specimens have been conducted in the High Flux Isotope Reactor (HFIR) under the experimental platform designated as MiniFuel. MiniFuel is a static irradiation capability in which microstructural evolution and fuel performance phenomena are observed during postirradiation examination thereby offering a snapshot of the terminal fuel characteristics. This approach inherently requires fielding an irradiation where the experimental conditions are determined using predictive models and the pertinent outcomes are measured at the end of the test. Static irradiations can provide useful insights to the relationships between fuel performance and the pivotal irradiation conditions, namely temperature and burnup, but the ability to monitor fuel performance in situ would further support fuel development and qualification. To this end, an instrumented experiment design is being developed at Oak Ridge National Laboratory to capture thermal conductivity degradation and fission gas release during HFIR irradiation. These phenomena will be monitored using unique capsule designs that each target a different phenomenon. This paper details the thermal conductivity capsule (TCC) design and its expected performance envelope as determined using computer models. Each TCC will contain a miniature UO2 disc specimen (~0.5 mm thick × 5 mm diameter) sandwiched between metallic slugs with embedded thermocouples. The coupling of in situ temperature measurements, known thermal conductivity of the metallic components, and heat generation rates computed using high-fidelity neutronics models make the thermal conductivity measurement possible. This paper describes the reactor physics and heat transfer models used to predict the capsule’s performance and the methodology for calculating the fuel specimen’s thermal conductivity from the thermocouple measurements.

Gorton, Jacob [ORNL] (ORCID:0000000269806083)↗
DOE OSTI2024

Light-induced electron dynamics of molecules in cavities: comparison of model Hamiltonians

The rapidly expanding field of polaritonic chemistry requires accurate theoretical simulations to understand new phenomena at the atomic scale. Computing the optoelectronic properties of molecules using established electronic structure methods is a careful balance of accuracy and computational expense, and expanding these methods to quantum electrodynamics to describe coupled cavity-molecule systems is an active topic of development. Key to these methods are the Hamiltonian operators representing the photon cavity modes. The recently introduced quantum electrodynamics time-dependent configuration interaction (QED-TDCI) method allows for the combination of electron dynamics simulations with quantum electrodynamics, enabling the simulation of time-dependent optoelectronic properties of cavity-molecule systems. Using this method, a comparison of two many-state QED Hamiltonians—the Pauli-Fierz and quantum Rabi model Hamiltonians—is presented, with a particular focus on time-dependent properties in applied electric fields.

Peyton, Benjamin G. (ORCID:0000000163190751)↗
DOE OSTI2021

Infrared all-dielectric Kerker metasurfaces

The unidirectional scattering of electromagnetic waves in the backward and forward direction, termed Kerkers’ first and second conditions, respectively, is a prominent feature of sub-wavelength particles, which also has been found recently in all-dielectric metasurfaces. Here we formulate the exact polarizability requirements necessary to achieve both Kerker conditions simultaneously with dipole terms only and demonstrate its equivalence to so-called “invisible metasurfaces”. We further describe the perfect absorption mechanism in all-dielectric metasurfaces through development of an extended Kerker formalism. The phenomena of both invisibility and perfect absorption is shown in a 2D hexagonal array of cylindrical resonators, where only the resonator height is modified to switch between the two states. The developed framework provides critical insight into the range of scattering response possible with all-dielectric metasurfaces, providing a methodology for studying exotic electromagnetic phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Maskless Fourier transform holography

Fourier transform holography is a lensless imaging technique that retrieves an object's exit-wave function with high fidelity. It has been used to study nanoscale phenomena and spatio-temporal dynamics in solids, with sensitivity to the phase component of electronic and magnetic textures. However, the method requires an invasive and labor-intensive nanopatterning of a holography mask directly onto the sample, which can alter the sample properties, forces a fixed field-of-view, and leads to a low signal-to-noise ratio at high resolution. In this work, we propose using wavefront-shaping diffractive optics to create a structured probe with full control of its phase at the sample plane, circumventing the need for a mask. We demonstrate in silico that the method can image nanostructures and magnetic textures and validate our approach with a visible light-based experiment. The method enables investigation of a plethora of phenomena at the nanoscale including magnetic and electronic phase coexistence in solids, with further uses in soft and biological matter research.

Keskinbora, Kahraman↗
DOE OSTI2022

Angle- and polarization-resolved luminescence from suspended and hexagonal boron nitride encapsulated MoSe 2 monolayers

The polarized photoluminescence from atomically thin transition metal dichalcogenides is a frequently applied tool to scrutinize optical selection rules and valley physics, yet it is known to sensibly depend on a variety of internal and external material and sample properties. In this work, we apply combined angle- and polarization-resolved spectroscopy to explore the interplay of excitonic physics and phenomena arising from the commonly utilized encapsulation procedure on the optical properties of atomically thin M o S e 2 . We probe monolayers prepared in both suspended and encapsulated manners. We show that the hBN encapsulation significantly enhances the linear polarization of exciton photoluminescence emission at large emission angles. This degree of linear polarization of excitons can increase up to ∼ <#comment/> 17 % <#comment/> in the hBN encapsulated samples. As we confirm by finite-difference time-domain simulations, it can be directly connected to the optical anisotropy of the hBN layers. In comparison, the linear polarization at finite exciton momenta is significantly reduced in a suspended M o S e 2 monolayer, and becomes notable only in cryogenic conditions. This phenomenon strongly suggests that the effect is rooted in the k-dependent anisotropic exchange coupling inherent in 2D excitons. Our results have strong implications on further studies on valley contrasting selection rules and valley coherence phenomena using standard suspended and encapsulated samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Disorder effects in nitride semiconductors: impact on fundamental and device properties

Abstract Semiconductor structures used for fundamental or device applications most often incorporate alloy materials. In “usual” or “common” III–V alloys, based on the InGaAsP or InGaAlAs material systems, the effects of compositional disorder on the electronic properties can be treated in a perturbative approach. This is not the case in the more recent nitride-based GaInAlN alloys, where the potential changes associated with the various atoms induce strong localization effects, which cannot be described perturbatively. Since the early studies of these materials and devices, disorder effects have indeed been identified to play a major role in their properties. Although many studies have been performed on the structural characterization of materials, on intrinsic electronic localization properties, and on the impact of disorder on device operation, there are still many open questions on all these topics. Taking disorder into account also leads to unmanageable problems in simulations. As a prerequisite to address material and device simulations, a critical examination of experiments must be considered to ensure that one measures intrinsic parameters as these materials are difficult to grow with low defect densities. A specific property of nitride semiconductors that can obscure intrinsic properties is the strong spontaneous and piezoelectric fields. We outline in this review the remaining challenges faced when attempting to fully describe nitride-based material systems, taking the examples of LEDs. The objectives of a better understanding of disorder phenomena are to explain the hidden phenomena often forcing one to use ad hoc parameters, or additional poorly defined concepts, to make simulations agree with experiments. Finally, we describe a novel simulation tool based on a mathematical breakthrough to solve the Schrödinger equation in disordered potentials that facilitates 3D simulations that include alloy disorder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗