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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Winter-to-Summer Precipitation Phasing in Southwestern North America: A Multi-Century Perspective from Paleoclimatic Model-Data Comparisons

The phasing of winter-to-summer precipitation anomalies in the North American monsoon (NAM) region 2 (113.25 deg W-107.75 deg W, 30 deg N-35.25 deg N-NAM2) of southwestern North America is analyzed in fully coupled simulations of the Last Millennium and compared to tree ring reconstructed winter and summer precipitation variability. The models simulate periods with in-phase seasonal precipitation anomalies, but the strength of this relationship is variable on multidecadal time scales, behavior that is also exhibited by the reconstructions. The models, however, are unable to simulate periods with consistently out-of-phase winter-to-summer precipitation anomalies as observed in the latter part of the instrumental interval. The periods with predominantly in-phase winter-to-summer precipitation anomalies in the models are significant against randomness, and while this result is suggestive of a potential for dual-season drought on interannual and longer time scales, models do not consistently exhibit the persistent dual-season drought seen in the dendroclimatic reconstructions. These collective findings indicate that model-derived drought risk assessments may underestimate the potential for dual-season drought in 21st century projections of hydroclimate in the American Southwest and parts of Mexico.

Variability↗
NASA NTRS2017

GEOS S2S-2_1: GMAO's New High Resolution Seasonal Prediction System

A new version of the modeling and analysis system used to produce sub-seasonal to seasonal forecasts has just been released by the NASA Goddard Global Modeling and Assimilation Office. The new version runs at higher atmospheric resolution (approximately 12 degree globally), contains a substantially improved model description of the cryosphere, and includes additional interactive earth system model components (aerosol model). In addition, the Ocean data assimilation system has been replaced with a Local Ensemble Transform Kalman Filter. Here will describe the new system, along with the plans for the future (GEOS S2S-3_0) which will include a higher resolution ocean model and more interactive earth system model components (interactive vegetation, biomass burning from fires). We will also present results from a free-running coupled simulation with the new system and results from a series of retrospective seasonal forecasts. Results from retrospective forecasts show significant improvements in surface temperatures over much of the northern hemisphere and a much improved prediction of sea ice extent in both hemispheres. The precipitation forecast skill is comparable to previous S2S systems, and the only trade off is an increased double ITCZ, which is expected as we go to higher atmospheric resolution.

Molod, Andrea↗
NASA NTRS2017

Assimilation of AERONET and MODIS AOT Observations Using Variational and Ensemble Data Assimilation Methods and Its Impact on Aerosol Forecasting Skill

Data assimilation of Aerosol Robotic Network (AERONET) and Moderate Resolution Imaging Spectroradiometer (MODIS) aerosol optical thickness (AOT) for aerosol forecasting was tested within the Navy Aerosol Analysis Prediction System (NAAPS) framework, using variational and ensemble data assimilation methods. Navy aerosol forecasting currently makes use of a deterministic NAAPS simulation coupled to Navy Variational Data Assimilation System for aerosol optical depth, a two-dimensional variational data assimilation system, for MODIS AOT assimilation. An ensemble version of NAAPS (ENAAPS) coupled to an ensemble adjustment Kalman filter (EAKF) from the Data Assimilation Research Testbed was recently developed, allowing for a range of data assimilation and forecasting experiments to be run with deterministic NAAPS and ENAAPS. The main findings are that the EAKF, with its flow-dependent error covariances, makes better use of sparse observations such as AERONET AOT. Assimilating individual AERONET observations in the two-dimensional variational system can increase the analysis errors when observations are located in high AOT gradient regions. By including AERONET with MODIS AOT assimilation, the magnitudes of peak aerosol events (AOT> 1) were better captured with improved temporal variability, especially in India and Asia where aerosol prediction is a challenge. Assimilating AERONET AOT with MODIS had little impact on the 24 h forecast skill compared to MODIS assimilation only, but differences were found downwind of AERONET sites. The 24 h forecast skill was approximately the same for forecasts initialized with analyses from AERONET AOT assimilation alone compared to MODIS assimilation, particularly in regions where the AERONET network is dense; including the United States and Europe, indicating that AERONET could serve as a backup observation network for over-land synoptic-scale aerosol events.

Rubin, Juli I.↗
NASA NTRSDate not supplied

RDE Nozzle Computational Design Methodology Development and Application

The rotating detonation engine (RDE) is currently under investigation as an approach to achieving pressure gain combustion for propulsion and power systems. The RDE typically consists of an annulus with one end open (or having a throat and/or nozzle) and the other end valved using non-mechanical, fluidic means. In this study, a total of 6 nozzle design variations were studied for the NPS combustor geometry, using the validated quasi-2D to 3-D coupled simulation approach.

CFD↗
NASA NTRSDate not supplied

Comparison between Hayabusa 2 Spectral Measurements and Simulations

This paper compares recent Hayabusa 2 spectral measurements with state-of-the-art shock-layer radiation simulations resulting from the LAURA/HARA code suite. These simulations include coupled ablation, which accounts for the injection of ablation products into the flowfield, and coupled radiation, which accounts for radiative energy loss in the flowfield. To enable the coupled ablation simulations, a best-estimate model is developed for Hayabusa’s carbon-phenolic ablator, based on the limited available published information. The comparison between the simulations and measurements focuses on two atomic nitrogen lines and two atomic oxygen lines, as well as the CN Violet band system. For the atomic lines, the measurements and simulations agree within 25% over most of the trajectory. This excellent agreement is unprecedented for observed radiation measurements of atomic lines, where previous Stardust and Hayabusa 1 comparisons were significantly worse. The improved agreement for these Hayabusa 2 comparisons is both the result of improved measurement quality and enhanced flowfield/radiation modeling. To provide a link between these observed radiation measurements and the radiative heating to a vehicle surface, the recently developed flowfield property binning approach is used to identify flowfield properties that provide the dominant emission contribution to the measured spectrum. These identified flowfield properties are then shown to match those for the surface radiative heating to the currently developed Mars Sample Return (MSR) Earth Entry System (EES) at a specific trajectory point and surface location. This matching of flowfield properties indicates that this EES radiative heating and Hayabusa 2 observed radiation simulations are equivalent radiation problems. Therefore, the excellent agreement between Hayabusa 2 measurements and simulations may be leveraged to inform the radiation heating margin for the MSR EES.

Christopher O Johnston↗
NASA NTRS2023

Convective Impact on the Global Lower Stratospheric Water Vapor Budget

Water vapor in the stratosphere is primarily controlled by temperatures in the tropical upper troposphere and lower stratosphere. However, the direct impact of deep convection on the global lower stratospheric water vapor budget is still an actively debated issue. Two complementary modeling approaches are used to investigate the convective impact in boreal winter and summer. Convective influence is diagnosed by tracing trajectories through convective cloud top altitude fields derived from global rainfall and brightness temperature data. Backward trajectory model simulations coupled with a detailed treatment of cloud microphysical processes indicate that convection moistens the global lower stratosphere by approximately 0.3 ppmv in boreal winter and summer 2010. The diurnal peak in convection is responsible for about half of the total convective moistening during winter and nearly all of the convective moistening during summer. Deep convective clouds overshooting the tropopause have relatively minor effect on global lower stratospheric water vapor. A forward trajectory model coupled with a simplified cloud module is used to estimate the relative magnitude of the interannual variability of the convective impact. Combining the results from the two models, we find that the convective impact on the global lower stratospheric water vapor during 2006-2016 is approximately 0.3 ppmv with year-to-year variations of up to 0.1 ppmv. An important mechanism of convective hydration of the lower stratosphere is via the detrainment of saturated air and ice into the tropical uppermost troposphere and the subsequent upward transport of some of these moist air parcels across relatively warm and subsaturated tropopause.

CONVECTION↗
NASA NTRSDate not supplied

Analysis of Mars 2020 Entry with Coupled Material Response and CFD

When computing the response of an ablating thermal protection system during entry, the aerothermal environment and material response are traditionally computed independently, with the introduction of a blowing correction term in the material response model to account for the outgassing of char and pyrolysis gases. This study presents an approach, where the pyrolysis blowing gases, calculated within the PATO material response code [1], are integrated into the DPLR hypersonic CFD code [2] via a blowing boundary condition. This methodology employs an iterative process, whereby the blown pyrolysis gas products from PATO are incorporated into DPLR, refining surface heating predictions. The NEQAIR code is used to compute radiative heating [3]. The method is applied in computing 3D material response of the Mars 2020 entry. When compared with uncoupled material response, the coupled simulations show a lower surface heat flux initially and a higher heat flux at peak heating as shown in Fig. 1. This is in agreement with previous work using a sphere case with environments from MSL [4].

Heat Transfer↗
NASA NTRSDate not supplied

Analysis of Mars 2020 Entry with Coupled Material Response and CFD

When computing the response of an ablating thermal protection system during entry, the aerothermal environment and material response are traditionally computed independently, with the introduction of a blowing correction term in the material response model to account for the outgassing of char and pyrolysis gases. This study presents an approach, where the pyrolysis blowing gases, calculated within the PATO material response code, are integrated into the DPLR hypersonic CFD code via a blowing boundary condition. This methodology employs an iterative process, whereby the blown pyrolysis gas products from PATO are incorporated into DPLR, refining surface heating predictions. The NEQAIR code is used to compute radiative heating. The method is applied in computing 3D material response of the Mars 2020 entry. When compared with uncoupled material response, the coupled simulations show a lower surface heat flux initially and a higher heat flux at peak heating as shown in Fig. 1. This is in agreement with previous work using a sphere case with environments from MSL.

Heat Transfer↗
NASA NTRSDate not supplied

High-Fidelity Simulations of Lift+Cruise VTOL Urban Air Mobility Concept Aircraft in Hover

This paper presents progress of high-fidelity multidisciplinary simulations for the NASA lift+cruise vertical takeoff and landing (VTOL) urban air mobility concept aircraft in hover. The study focuses on the unsteady flow solutions featuring strong wake interactions between rotors and the airframe. The simulations couple a high-fidelity aerodynamic model with a comprehensive rotorcraft aeromechanics tool with rotor rotation-speed trim. The aerodynamic model is based on the Reynolds-averaged Navier-Stokes equations using the one-equation Spalart-Allmaras turbulence model with rotation correction. Unsteady aerodynamic flows are computed on a dynamic, deformable, unstructured, overset grid system. An integrated overset-grid assembler is used to construct the composite grid from 23 component grids and facilitate communications between individual component grids. Rotor performance and airframe forces and moments are computed and compared on two unstructured grids. The study demonstrates capabilities of high-fidelity multidisciplinary analysis tools to capture the strong unsteady flowfield around this multi-rotor aircraft in hover.

CFD↗
NASA NTRSDate not supplied

High-Fidelity Simulations of Lift+Cruise VTOL Urban Air Mobility Concept Aircraft in Hover

This presentation presents progress of high-fidelity multidisciplinary simulations for the NASA lift+cruise vertical takeoff and landing (VTOL) urban air mobility concept aircraft in hover. The study focuses on the unsteady flow solutions featuring strong wake interactions between rotors and the airframe. The simulations couple a high-fidelity aerodynamic model with a comprehensive rotorcraft aeromechanics tool with rotor rotation-speed trim. The aerodynamic model is based on the Reynolds-averaged Navier-Stokes equations using the one-equation Spalart-Allmaras turbulence model with rotation correction. Unsteady aerodynamic flows are computed on a dynamic, deformable, unstructured, overset grid system. An integrated overset-grid assembler is used to construct the composite grid from 23 component grids and facilitate communications between individual component grids. Rotor performance and airframe forces and moments are computed and compared on two unstructured grids. The study demonstrates capabilities of high-fidelity multidisciplinary analysis tools to capture the strong unsteady flowfield around this multi-rotor aircraft in hover.

CFD↗
DOE OSTI2015

Cavity Design, Fabrication and Commission Performance of a 750MHz, 4-rod Separator for CEBAF 4-Hall Beam Delivery System

A short version of the original CEBAF normal conducting 4-rod separator cavity has been developed into a 750MHz one * since the concept of simultaneous 4-hall operation for CEBAF is introduced **. This work has been advanced further based on the EM design optimization, bench measurement and by conducting RF-thermal coupled simulation using CST and ANSYS to confirm the cavity tuning and thermal performance. The cavity fabrication used matured technology like copper plating and machining. The cavity flanges, couplers, tuners and cooling channels adopted consistent/compatible hardware with the existing 500MHz cavities. The electromagnetic and thermal design simulations have greatly reduced the prototyping and bench tuning time of the first prototype. Four production cavities have reached a typical 1.94MV kick voltage or 3.0kW wall loss on each cavity after a minor multipactoring or no processing, 7.5% overhead power than the design specification.

Wang, Haipeng↗
DOE OSTI2020

Direct observation of 3D atomic packing in monatomic amorphous materials

Liquids and solids are two fundamental states of matter. Although the structure of crystalline solids has long been solved by crystallography, our understanding of the 3D atomic structure of liquids and amorphous materials remained speculative. In 1952, Frank hypothesized that icosahedral order is the prevalent atomic motif in monatomic liquids. Over the past six decades, there have been a great deal of experimental, computational and theoretical studies to understand the structure of liquids and amorphous materials. A polytetrahedral packing model was proposed to explain the 3D atomic structure of monatomic liquids and amorphous materials, in which icosahedral order is a key feature. The icosahedral order has also been found to play an important role in the structure of metallic glasses and quasicrystals. Here we advance atomic electron tomography to determine for the first time the 3D atomic positions in monatomic amorphous materials, including a Ta thin film and two Pd nanoparticles. Despite the different chemical composition and synthesis methods, we observe that pentagonal bipyramids are the most abundant atomic motifs in these amorphous materials. Contrary to the traditional understanding, the pentagonal bipyramids do not assemble full icosahedra, but are closely connected with each other to form networks that extend to medium-range scale. Our molecular dynamic simulations, coupled with experimental results, further reveal that the 3D atomic structure of monatomic liquids is similar to the experimental amorphous material. Moreover, we find that the pentagonal bipyramid networks, prevalent in monatomic liquids, rapidly grow in size and form a fraction of full icosahedra during the quench from a liquid to a metallic glass state, providing a possible new picture of structural evolution through the glass transition.

Yuan, Yakun↗
DOE OSTI2021

xSDK: Building an ecosystem of highly efficient math libraries for exascale

Current efforts to build increasingly powerful computer architectures are opening up new avenues for more complex and higher fidelity simulations coupled with data analytics and learning, leading to new scientific insights and deeper understanding. At one extreme, exascale computers will be much faster than previous computer generations (performing 10 18 operations per second—that is, 1,000 times faster than petascale). To achieve these performance improvements, computer architectures are becoming increasingly complex, with deep memory hierarchies, very high node and core counts, and heterogeneous features such as graphics processing units (GPUs). Such architectural changes impact the full breadth of computing scales, as heterogeneity pervades even current-generation laptops, workstations, and moderate-sized clusters. While emerging advanced architectures provide unprecedented opportunities, they also present significant challenges for developers of scientific applications, such as multiphysics and multiscale codes, who must adapt their software to handle disruptive changes in architectures and new programming models that have not yet stabilized. Developers must consider increasing concurrency while reducing communication and synchronization, and other complexities such as the potential for using mixed precision to leverage the compute power available in low-precision tensor cores. On one hand, developers must implement new scientific capabilities, which in turn increase code complexity. On the other hand, the codes must be ported to new architectures, requiring the inclusion of new programming models and the restructuring of code to achieve good performance. Addressing these issues is beyond the capability of any single person or team—leading to the need for collaboration among many teams, who encapsulate their expertise in reusable software and work together to create sustainable software ecosystems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

The application of MAMMOTH for a detailed tightly coupled fuel pin simulation with a station blackout

The accurate calculation of desired quantities to predict fuel behavior in a nuclear reactor requires the solution of inter linked equations representing different physics phenomena. Traditional fuels performance codes often rely on internal empirical models for the pin power density and a simplified boundary condition on the cladding outer surface. These simplifications are performed because of the difficulty of coupling applications or codes on differing domains and mapping the required data. In this work the MAMMOTH application is employed in the demonstration of an approach that more consistent with first principles, in a simulation that couples the neutronics application Rattlesnake, the thermal fluids application RELAP-7 and the fuels performance application BISON. A single fuel pin was modeled based on the dimensions of a fuel rod from a Westinghouse 17*17 optimized PWR fuel assembly. The simulation consisted of a depletion period of 1343 days, representing three full operating cycles, followed by a station blackout (SBO) event. The fuel rod was depleted with a total pin power of 65.81 kW. After 1343 days the fission power was reduced to zero (simulating a reactor shutdown). Decay heat calculations provided the time-varying energy source after this time. For this problem, Rattlesnake, BISON, and RELAP-7 are coupled under MAMMOTH in a tightly coupled approach. Each system solves its physics on a separate mesh and, for RELAP-7 and BISON, on only a subset of the full problem domain. Rattlesnake solves the neutronics over the whole domain, which includes the fuel, cladding, gaps, water, and top and bottom rod holders. Here BISON is applied to the fuel and cladding with a 2-D axisymmetric domain, and RELAP-7 is applied to the flow of the circular outer water channel with a set of 1-D flow equations. For this work, the mesh on the Rattlesnake side is either be 3-D (for low order PN transport or diffusion) or 2-D axisymmetric (for diffusion). BISON has a matching ring structure mesh for the fuel so both the power density and local burnup are transferred accurately from Rattlesnake. At each depletion time step, Rattlesnake calculates a power density, fission density rate, burnup distribution and fast flux based on the current water density and fuel temperature. These are then mapped to the BISON mesh to perform a fuels performance solution. BISON calculates the fuel temperature and cladding surface temperature based upon the current power density and bulk fluid temperature. RELAP-7 then calculates the fluid temperature, water density fraction and water phase velocity based upon the cladding surface temperature. The fuel temperature and the fluid density are then passed back to Rattlesnake for another neutronics calculation. For this paper, sets of results from the detailed calculation are provided for both depletion and the SBO event. We demonstrate that a detailed simulation akin to first principles can be achieved using MAMMOTH and the various MOOSE application on differing domains. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Spatial coupling of gyrokinetic simulations, a generalized scheme based on first-principles

In this paper, we present a scheme that spatially couples two gyrokinetic codes using first-principles. Coupled equations are presented and a necessary and sufficient condition for ensuring accuracy is derived. This new scheme couples both the field and the particle distribution function. The coupling of the distribution function is only performed once every few time-steps, using a five-dimensional (5D) grid to communicate the distribution function between the two codes. This 5D grid interface enables the coupling of different types of codes and models, such as particle and continuum codes, or delta-f and total-f models. Transferring information from the 5D grid to the marker particle weights is achieved using a new resampling technique. Demonstration of the coupling scheme is shown using two XGC gyrokinetic simulations for both the core and edge. We also apply the coupling scheme to two continuum simulations for a one-dimensional advection–diffusion problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Multimode two-dimensional vibronic spectroscopy. II. Simulating and extracting vibronic coupling parameters from polarization-selective spectra

We report experimental demonstrations of polarization-selection two-dimensional Vibrational-Electronic (2D VE) and 2D Electronic-Vibrational (2D EV) spectroscopies aim to map the magnitudes and spatial orientations of coupled electronic and vibrational coordinates in complex systems. The realization of that goal depends on our ability to connect spectroscopic observables with molecular structural parameters. In this paper, we use a model Hamiltonian consisting of two anharmonically coupled vibrational modes in electronic ground and excited states with linear and bilinear vibronic coupling terms to simulate polarization-selective 2D EV and 2D VE spectra. We discuss the relationships between the linear vibronic coupling and two-dimensional Huang–Rhys parameters and between the bilinear vibronic coupling term and Duschinsky mixing. We develop a description of the vibronic transition dipoles and explore how the Hamiltonian parameters and non-Condon effects impact their amplitudes and orientations. Using simulated polarization-selective 2D EV and 2D VE spectra, we show how 2D peak positions, amplitudes, and anisotropy can be used to measure parameters of the vibronic Hamiltonian and non-Condon effects. This paper, along with the first in the series, provides the reader with a detailed description of reading, simulating, and analyzing multimode, polarization-selective 2D EV and 2D VE spectra with an emphasis on extracting vibronic coupling parameters from complex spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Predicting the severity of spurious “double ITCZ” problem in CMIP5 coupled models from AMIP simulations [Tropical versus extratropical origins of the spurious 'double ITCZ' in coupled climate models]

The severity of the double Intertropical Convergence Zone (DI) problem in climate models can be measured by a tropical precipitation asymmetry index (PAI), indicating whether tropical precipitation favors the Northern Hemisphere or the Southern Hemisphere. Examination of 19 Coupled Model Intercomparison Project phase 5 models reveals that the PAI is tightly linked to the tropical sea surface temperature (SST) bias. As one of the factors determining the SST bias, the asymmetry of tropical net surface heat flux in Atmospheric Model Intercomparison Project (AMIP) simulations is identified as a skillful predictor of the PAI change from an AMIP to a coupled simulation, with an intermodel correlation of 0.90. Using tropical top-of-atmosphere (TOA) fluxes, the correlations are lower but still strong. However, the extratropical asymmetries of surface and TOA fluxes in AMIP simulations cannot serve as useful predictors of the PAI change. Furthermore, this study suggests that the largest source of the DI bias is from the tropics and from atmospheric models.

54 ENVIRONMENTAL SCIENCES↗