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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Adaptive basis sets for practical quantum computing

Electronic structure calculations on small systems such as H 2 , H 2 O, LiH, and BeH 2 with chemical accuracy are still a challenge for the current generation of noisy intermediate-scale quantum (NISQ) devices. One of the reasons is that due to the device limitations, only minimal basis sets are commonly applied in quantum chemical calculations, which allows one to keep the number of qubits employed in the calculations at a minimum. However, the use of minimal basis sets leads to very large errors in the computed molecular energies as well as potential energy surface shapes. One way to increase the accuracy of electronic structure calculations is through the development of small basis sets better suited for quantum computing. In this work, we show that the use of adaptive basis sets, in which exponents and contraction coefficients depend on molecular structure, provides an easy way to dramatically improve the accuracy of quantum chemical calculations without the need to increase the basis set size and thus the number of qubits utilized in quantum circuits. As a proof of principle, we optimize an adaptive minimal basis set for quantum computing calculations on an H 2 molecule, in which exponents and contraction coefficients depend on the H—H distance, and apply it to the generation of H 2 potential energy surface on IBM-Q quantum devices. The adaptive minimal basis set reaches the accuracy of the double-zeta basis sets, thus allowing one to perform double-zeta quality calculations on quantum devices without the need to utilize twice as many qubits in simulations. This approach can be extended to other molecular systems and larger basis sets in a straightforward manner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Prospects for additive manufacturing of nuclear fuel forms

Additive manufacturing (AM) is viewed as a critical enabling technology for achieving superior performance and improved economics across many sectors. Although the past decade has seen increased application of AM methods to nuclear reactor cladding and structural materials, exploration of AM as applied to the uranium-bearing nuclear fuel forms has been limited. The two major families of nuclear fuel forms (monolithic, particle/dispersion) are utilized with their own set of core objectives in mind, and their differences require distinct fabrication infrastructures. These reference fabrication methods impose many limitations on nuclear fuels. Further, both currently operating reactors and future concepts have the potential for improved performance if these accepted limitations are relaxed or removed entirely. The primary limitations of reference fabrication processes for the common nuclear fuel forms are outlined in this paper. This groundwork is then used to identify avenues of fuel performance specific to each of these fuel architectures that could be exploited if the restrictions of conventional fuel fabrication are removed. Moreover, multiple targets for AM studies are laid out for each of the major nuclear fuel variants. Finally, key strategic components to guide research activities in AM of nuclear fuels are outlined, with an emphasis on use of modeling and simulation to motivate research aims and embrace of an accelerated testing methodology to screen and quality new fuel forms.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Study of eVTOL Charging Impact on Airport Electrical Grids

Growth in commercial air traffic has increased the aviation industry's contribution to global emissions. Aircraft electrification can reduce greenhouse gas emissions along with being efficient and reliable. Advanced air mobility introduces the idea of an advanced and more efficient air transportation system. Electric and hybrid aircraft designs, such as electric vertical takeoff and landing (eVTOL), are being considered for a number of applications, such as urban air mobility, cargo delivery, and medical emergencies. Although the electrification of aircraft provides environmental benefits, their charging needs will place significant demand on the electrical grid. This work presents a grid impact study and infrastructure upgrade requirements analysis of eVTOL charging on a realistic distribution grid through power flow simulation analysis. The case study results show that the eVTOL charging can lead to power quality issues, such as undervoltage and equipment capacity overloading. Grid infrastructure, such as lines and transformers, would need to be upgraded, and voltage management strategies would need to be deployed to accommodate eVTOL charging at an existing airport.

advanced air mobility (AAM)↗
DOE OSTI2021

Error Characteristics and Scale Dependence of Current Satellite Precipitation Estimates Products in Hydrological Modeling

Satellite precipitation estimates (SPEs) are promising alternatives to gauge observations for hydrological applications (e.g., streamflow simulation), especially in remote areas with sparse observation networks. However, the existing SPEs products are still biased due to imperfections in retrieval algorithms, data sources and post-processing, which makes the effective use of SPEs a challenge, especially at different spatial and temporal scales. In this study, we used a distributed hydrological model to evaluate the simulated discharge from eight quasi-global SPEs at different spatial scales and explored their potential scale effects of SPEs on a cascade of basins ranging from approximately 100 to 130,000 km 2 . The results indicate that, regardless of the difference in the accuracy of various SPEs, there is indeed a scale effect in their application in discharge simulation. Specifically, when the catchment area is larger than 20,000 km2, the overall performance of discharge simulation emerges an ascending trend with the increase of catchment area due to the river routing and spatial averaging. Whereas below 20,000 km 2 , the discharge simulation capability of the SPEs is more randomized and relies heavily on local precipitation accuracy. Our study also highlights the need to evaluate SPEs or other precipitation products (e.g., merge product or reanalysis data) not only at the limited station scale, but also at a finer scale depending on the practical application requirements. Here we have verified that the existing SPEs are scale-dependent in hydrological simulation, and they are not enough to be directly used in very fine scale distributed hydrological simulations (e.g., flash flood). More advanced retrieval algorithms, data sources and bias correction methods are needed to further improve the overall quality of SPEs.

DTVGM↗
NASA NTRS1975

System reliability analysis through corona testing

A corona vacuum test facility for nondestructive testing of power system components was built in the Reliability and Quality Engineering Test Laboratories at the NASA Lewis Research Center. The facility was developed to simulate operating temperature and vacuum while monitoring corona discharges with residual gases. The facility is being used to test various high-voltage power system components.

Lalli, V. R.↗
NASA NTRS1977

Design and evaluation of an integrated flight-control system concept for manual IFR VTOL operations

An integrated flight controller, display, and power management system design, suitable for all-weather VTOL flight operations onto small ships, is described. The flight controller uncouples the aircraft's translational and attitude motions, which are then commanded by the pilot, through separate controls. A head-up display provides situation and flight director information sufficient to permit zero-zero landings. The system was applied to a VTOL transport model and simulated on moving base simulators at Ames Research Center. Presented herein are results concerning the aircraft's general handling qualities and, in particular, its handling qualities during IFR landings onto a moving ship.

Merrick, V. K.↗
NASA NTRS1984

Simulation of electronic registration of multispectral remote sensing images to 0.1 pixel accuracy

Band-to-band coregistration of multispectral remote sensing images can be achieved by electronic signal processing techniques rather than by costly and difficult mechanical alignment. This paper describes the results of a study of the end-to-end performance of electronic registration. The software simulation includes steps which model the performance of the geometric calibration process, the instrument image quality, detector performance and the effects of achieving coregistration through image resampling. The image resampling step emulates the Pipelined Resampling Processor, a real-time image resampler. The study demonstrates that the electronic alignment technique produces multispectral images which are superior to those produced by an imager whose pixel geometry is accurate to 0.1 pixel rms. The implications of this approach for future earth observation programs are discussed.

Reitsema, H. J.↗
NASA NTRS1961

Effects of Gyroscopic Cross Coupling between Pitch and Roll on the Handling Qualities of VTOL Aircraft

In order to provide information relative to the effects of gyroscopic cross coupling between pitch and roll on the handling qualities of VTOL aircraft, a flight investigation has been conducted during which cross coupling was simulated. Generality is achieved by presenting the results of the flight investigation in the form of a criterion which may be used t o predict the acceptability of the level of cross coupling in VTOL aircraft as a function of the aircraft design parameters. The criterion is based on pilot's opinions of the acceptability of the motions for the range of cross coupling which was simulated during a maneuver in which cross coupling is particularly objectionable. is used to provide a basis for application of the criterion. The theory which i s developed is shown to predict accurately the aircraft motions.

Garren, John F., Jr.↗
NASA NTRS2010

Exploring Discretization Error in Simulation-Based Aerodynamic Databases

This work examines the level of discretization error in simulation-based aerodynamic databases and introduces strategies for error control. Simulations are performed using a parallel, multi-level Euler solver on embedded-boundary Cartesian meshes. Discretization errors in user-selected outputs are estimated using the method of adjoint-weighted residuals and we use adaptive mesh refinement to reduce these errors to specified tolerances. Using this framework, we examine the behavior of discretization error throughout a token database computed for a NACA 0012 airfoil consisting of 120 cases. We compare the cost and accuracy of two approaches for aerodynamic database generation. In the first approach, mesh adaptation is used to compute all cases in the database to a prescribed level of accuracy. The second approach conducts all simulations using the same computational mesh without adaptation. We quantitatively assess the error landscape and computational costs in both databases. This investigation highlights sensitivities of the database under a variety of conditions. The presence of transonic shocks or the stiffness in the governing equations near the incompressible limit are shown to dramatically increase discretization error requiring additional mesh resolution to control. Results show that such pathologies lead to error levels that vary by over factor of 40 when using a fixed mesh throughout the database. Alternatively, controlling this sensitivity through mesh adaptation leads to mesh sizes which span two orders of magnitude. We propose strategies to minimize simulation cost in sensitive regions and discuss the role of error-estimation in database quality.

Aftosmis, Michael J.↗
NASA NTRS2010

Performance Analysis of Scientific and Engineering Applications Using MPInside and TAU

In this paper, we present performance analysis of two NASA applications using performance tools like Tuning and Analysis Utilities (TAU) and SGI MPInside. MITgcmUV and OVERFLOW are two production-quality applications used extensively by scientists and engineers at NASA. MITgcmUV is a global ocean simulation model, developed by the Estimating the Circulation and Climate of the Ocean (ECCO) Consortium, for solving the fluid equations of motion using the hydrostatic approximation. OVERFLOW is a general-purpose Navier-Stokes solver for computational fluid dynamics (CFD) problems. Using these tools, we analyze the MPI functions (MPI_Sendrecv, MPI_Bcast, MPI_Reduce, MPI_Allreduce, MPI_Barrier, etc.) with respect to message size of each rank, time consumed by each function, and how ranks communicate. MPI communication is further analyzed by studying the performance of MPI functions used in these two applications as a function of message size and number of cores. Finally, we present the compute time, communication time, and I/O time as a function of the number of cores.

Saini, Subhash↗
NASA NTRS2011

Liquid Methane Conditioning Capabilities Developed at the NASA Glenn Research Center's Small Multi- Purpose Research Facility (SMiRF) for Accelerated Lunar Surface Storage Thermal Testing

Glenn Research Center s Creek Road Cryogenic Complex, Small Multi-Purpose Research Facility (SMiRF) recently completed validation / checkout testing of a new liquid methane delivery system and liquid methane (LCH4) conditioning system. Facility checkout validation was conducted in preparation for a series of passive thermal control technology tests planned at SMiRF in FY10 using a flight-like propellant tank at simulated thermal environments from 140 to 350K. These tests will validate models and provide high quality data to support consideration of LCH4/LO2 propellant combination option for a lunar or planetary ascent stage.An infrastructure has been put in place which will support testing of large amounts of liquid methane at SMiRF. Extensive modifications were made to the test facility s existing liquid hydrogen system for compatibility with liquid methane. Also, a new liquid methane fluid conditioning system will enable liquid methane to be quickly densified (sub-cooled below normal boiling point) and to be quickly reheated to saturation conditions between 92 and 140 K. Fluid temperatures can be quickly adjusted to compress the overall test duration. A detailed trade study was conducted to determine an appropriate technique to liquid conditioning with regard to the SMiRF facility s existing infrastructure. In addition, a completely new roadable dewar has been procured for transportation and temporary storage of liquid methane. A new spherical, flight-representative tank has also been fabricated for integration into the vacuum chamber at SMiRF. The addition of this system to SMiRF marks the first time a large-scale liquid methane propellant test capability has been realized at Glenn.This work supports the Cryogenic Fluid Management Project being conducted under the auspices of the Exploration Technology Development Program, providing focused cryogenic fluid management technology efforts to support NASA s future robotic or human exploration missions.

Bamberger, Helmut H.↗
NASA NTRS2012

Functional Near Infrared Spectroscopy: Watching the Brain in Flight

Functional Near Infrared Spectroscopy (fNIRS) is an emerging neurological sensing technique applicable to optimizing human performance in transportation operations, such as commercial aviation. Cognitive state can be determined via pattern classification of functional activations measured with fNIRS. Operational application calls for further development of algorithms and filters for dynamic artifact removal. The concept of using the frequency domain phase shift signal to tune a Kalman filter is introduced to improve the quality of fNIRS signals in real-time. Hemoglobin concentration and phase shift traces were simulated for four different types of motion artifact to demonstrate the filter. Unwanted signal was reduced by at least 43%, and the contrast of the filtered oxygenated hemoglobin signal was increased by more than 100% overall. This filtering method is a good candidate for qualifying fNIRS signals in real time without auxiliary sensors.

Harrivel, Angela↗
NASA NTRS2016

Assimilation of Gridded GRACE Terrestrial Water Storage Estimates in the North American Land Data Assimilation System

The objective of the North American Land Data Assimilation System (NLDAS) is to provide best available estimates of near-surface meteorological conditions and soil hydrological status for the continental United States. To support the ongoing efforts to develop data assimilation (DA) capabilities for NLDAS, the results of Gravity Recovery and Climate Experiment (GRACE) DA implemented in a manner consistent with NLDAS development are presented. Following previous work, GRACE terrestrial water storage (TWS) anomaly estimates are assimilated into the NASA Catchment land surface model using an ensemble smoother. In contrast to many earlier GRACE DA studies, a gridded GRACE TWS product is assimilated, spatially distributed GRACE error estimates are accounted for, and the impact that GRACE scaling factors have on assimilation is evaluated. Comparisons with quality-controlled in situ observations indicate that GRACE DA has a positive impact on the simulation of unconfined groundwater variability across the majority of the eastern United States and on the simulation of surface and root zone soil moisture across the country. Smaller improvements are seen in the simulation of snow depth, and the impact of GRACE DA on simulated river discharge and evapotranspiration is regionally variable. The use of GRACE scaling factors during assimilation improved DA results in the western United States but led to small degradations in the eastern United States. The study also found comparable performance between the use of gridded and basin averaged GRACE observations in assimilation. Finally, the evaluations presented in the paper indicate that GRACE DA can be helpful in improving the representation of droughts.

Kumar, Sujay V.↗
NASA NTRS2020

Effect of Atmospheric Wind and Upstream Buildings on the Flow Quality in the Test Section of the 80-by 120-Foot Wind Tunnel

The effect of upwind buildings on flow quality in the test section of the 80- by-120-Foot Wind Tunnel housed at the National Full-Scale Aerodynamics Complex at NASA Ames Research Center was modeled at reduced scale. A 1/50th-scale model of the 80x120 leg was placed on the turntable in the test section of the full-scale NFAC 80x120 wind tunnel. Ambient wind was simulated by means of a fixed linear array of 6 blowers mounted upstream of the NFAC turntable. NFAC turntable rotation was used to change ambient (atmospheric) wind direction. Models of existing upwind buildings and the planned Google Campus buildings (Googleplex) were constructed at 1/50th-scale. In addition, a variety of upwind blockage conditions were studied, using rectangular bodies, to simulate either a 2D or 3D blockage directly ahead of the inlet. Computer-controlled surveys of test section flow quality were measured using a Cobra probe to provide all three orthogonal velocity components. Surprisingly, measurements indicate that test section flow quality will be unaffected or slightly improved by the upwind presence of the Google Campus. A possible explanation is discussed.

open-circuit wind tunnel↗
NASA NTRS2020

Improving Rain/No-Rain Detection Skill by Merging Precipitation Estimates from Different Sources

Rain/no-rain detection error is a key source of uncertainty in regional and global precipitation products that propagates into offline hydrological and land surface modeling simulations. Such detection error is difficult to evaluate and/or filter without access to high-quality reference precipitation datasets. For cases where such access is not available, this study proposes a novel approach for improved rain/no-rain detection. Based on categorical triple collocation (CTC) and a probabilistic framework, a weighted merging algorithm (CTC-M) is developed to combine noisy, but independent, precipitation products into an optimal binary rain/no-rain time series. Compared with commonly used approaches that directly apply the best parent product for rain/no-rain detection, the superiority of CTC-M is demonstrated analytically and numerically using spatially dense precipitation measurements over Europe. Our analysis also suggests that CTC-M is tolerant to a range of cross-correlated rain/no-rain detection errors and detection biases of the parent products. As a result, CTC-M will benefit global precipitation estimation by improving the representation of precipitation occurrence in gauge-based and multisource merged precipitation products.

Jianzhi Dong↗
NASA NTRSDate not supplied

Accelerating TEMPO Air Quality Science Through STAQS

Soon after the launch of Tropospheric Emissions: Monitoring of Pollution (TEMPO) mission, NASA is supporting the Synergistic TEMPO Air Quality Science field study (STAQS) in summer 2023. This study’s main objective is to accelerate science with geostationary air quality observations from TEMPO to better understand its use in air pollution research and applications. Science objectives include, but are not limited to, TEMPO L2 product evaluation, the interpretation of the spatiotemporal evolution of TEMPO data during air quality events, assessment of anthropogenic emissions, contributions to chemical transport modeling, and environmental justice applications. These objectives can be accomplished through the integration of satellite data with systematically repeated high-resolution aircraft- and ground-based measurements in multiple urban environments. The primary urban cities considered include Los Angeles, New York City, and Chicago in June-August 2023. Measurements consist of airborne remote sensing observations of air quality constituents of nitrogen dioxide (NO2), formaldehyde (HCHO), ozone, and aerosols using the GeoCape Airborne Simulator and High-Spectral Resolution Lidar 2/Differential Absorption Lidar (HSRL2/DIAL) on the NASA JSC G-V aircraft, greenhouse gas observations from Airborne Visible InfraRed Imaging Spectrometer - Next Generation (AVIRIS-NG) and High Altitude Lidar Observatory (HALO) on the NASA LaRC G-III aircraft, and ground-based remote sensing and in situ observations of ozone, NO2, and HCHO from the Tropospheric Ozone Lidar Network (TOLNet), Pandora spectrometers, and ground-based monitoring networks. Key partnership studies providing in situ airborne observations include the NOAA Atmospheric Emissions and Reactions Observed from Megacities to Marine Areas (AEROMMA) field study on the NASA DC-8 in the same primary target areas as STAQS and Greater New York Oxidant, Tropospheric Halogens, and Aerosol Measurements and Modeling (GOTHAMM) field study on the NSF C-130 near New York City. This presentation will include a current status update of the STAQS mission and an overview of its measurement strategies and science objectives with the goal of promoting continued discussions for building and strengthening collaborations prior to the mission.

Laura Judd↗
NASA NTRSDate not supplied

Understanding and Utilizing PBL Height Data from Multiple Observing Systems in the GEOS System

The accuracy of PBL height simulation is a key issue in many applications including forecasting near surface meteorology and air quality, however, it is a very challenging problem due to the lack of not only comprehensive, global Planetary Boundary Layer (PBL) observations but also a strategy and infrastructure to utilize PBL height data from a variety of sensors. Following the designation of PBL as an incubation class observable in the 2017 Decadal Survey, the PBL Incubation Study Team Report [14] made clear that “a future global PBL observing system requires modeling and data assimilation as essential components.” There is an urgent need for global modeling development in order to utilize Program of Record (POR) observations, assess their impacts, and identify gaps to be filled by future PBL missions. Our overall objective is to develop PBL data assimilation capabilities in the NASA Global Earth Observing System (GEOS), focusing on PBL height from multiple observing systems, to support the assessment and use of future PBL observations. The NASA GEOS system is composed of the GEOS global atmospheric general circulation model (AGCM) and the atmospheric data assimilation system (ADAS). The PBL parameterizations include the “Lock” K-profile scheme driven by surface and cloud-top buoyancy fluxes ([4]), and the “Louis” local scheme for stable conditions based on the Richardson number ([5]). Above the mixed layer defined by the Lock surface plume, shallow cumulus convection is represented by the mass flux scheme of [9]. Additional parameterizations are summarized in [1]. The ADAS employs the hybrid 4D Ensemble- Variational (EnVar) configuration ([15]), with the ensemble providing flow-dependent background error covariance information. The resultant analysis increments are fed back to the forecast model through the 4D incremental analysis update (IAU) approach ([11]). In this study, PBL height data are being or have been generated from radiosondes, GNSS RO, satellite (CATS, CALIPSO and ICESat-2) and ground-based (MPLNET) lidars, and wind profiler. Investigations have been conducted to specify quality marks for PBL height retrievals for the data assimilation purpose. These PBL height data have different strengths and weaknesses ([2], [3], [6], [7], [8], [10]), and the satellite PBL height data provide better global coverage and complement in-situ PBL height data. Radiosondes offer high accuracy and in situ measurement of temperature and humidity profiles, but with poor spatio-temporal sampling. The in-situ observing systems like MPLNET and wind profiler provide long history of PBL height records at each station. The GNSS RO based PBL height is retrieved based on the sharp gradients in refractivity profile that represent the fine vertical structure of temperature and moisture changes above the PBL. However, not all RO refractivity profiles reach the surface depending on location and regime, and RO refractivity retrievals can be negatively biased below 2km. The PBL height data from satellite lidars provide high resolution along track PBL height retrievals, but over land they are affected by previous day convective PBL aerosol and strongly associated with mixing layer and retrievals cannot be made below thick, attenuating clouds. A successful assimilation of PBL height data requires a thorough understanding of the observing method and the retrieval algorithm for each observing system in order to use the PBL height data from multiple observing systems properly. Due to the sensitivity of PBL height data to the observing method and choice of algorithm, it is important to use a model definition appropriate for each observation type to compute differences between PBL height data and model PBL height (OmFs). The GEOS model currently includes two PBL height definitions suitable for direct comparison with observed PBL height, and additional definitions are being added in this study. Evaluation of different model PBL height definitions is underway. Meanwhile, efforts have been made in the GEOS data assimilation system to develop PBL height data assimilation capability. PBL height data can be assimilated using two different approaches. The traditional approach is to construct an observation operator and its tangent linear and adjoint, which link control variables to PBL height data from each observing system. This observation operator can be very complicated, e.g., the lidar-based PBL height observation operator includes the backscatter lidar forward observation operator, the algorithm to derive PBL height from attenuated total backscatter, interpolation, and calculations handling the mismatch between observed and model scales. The other approach is to augment PBL height to the control variable vector, and it is adopted in this study. The latter approach was also used in previous studies, e.g., the assimilation of PBL height data from radiosonde and aircraft in the Real Time Mesoscale Analysis (RTMA) system for a dispersion modelling study ([13]); the PBL height assimilation study using lidar PBL height data at Greensburg, Kansas for a field campaign ([12]). The PBL height assimilation from multiple observing systems in this study allows us to take advantage of the diverse PBL height data that provide much better global coverage collectively under different meteorological conditions and with different temporal and spatial scales. As all the PBL heights are tightly coupled with the PBL thermodynamic variables, the strong correlations, which are provided by the 4D ensemble forecast, enable PBL height data from various sources to interact and combine coherently and provide additional information for PBL temperature and moisture fields. The results of comparisons among PBL height data from different sources and the evaluation of the model PBL height definitions with the PBL height data will be presented, and the PBL height data synergy strategies and preliminary results will also be discussed at the conference.

Y. Zhu↗
DOE OSTI2023

Comprehensive Analysis of Model Parameter Uncertainty Influence on Evaluation of HVAC Operation to Mitigate Indoor Virus: A Case Study for an Office Building in a Cold and Dry Climate

Simulation-based studies of HVAC operation to mitigate indoor virus have been conducted to understand tradeoffs between indoor air quality (IAQ) and energy consumption. However, the influence of model parameter uncertainty in these studies has not been systematically quantified, which is critical when providing guidance to building operators. To address this gap, we identify 20 model parameters for a typical medium office building system in a cold and dry climate that can influence IAQ and energy consumption for indoor virus scenarios. Next, the distributions of the parameter values are estimated from literature and a set of simulation samples for three representative days is generated that simultaneously sample all of the parameters from their distributions. Two HVAC virus mitigation strategies are studied: increased filtration using MERV 13 filters and increased ventilation, via supply of 100% outdoor air into buildings. The model parameter uncertainty leads to significant variability in the results, particularly for the IAQ because of the highly uncertain virus generation rate. Use of 100% outdoor air can be beneficial for some uncertain scenarios on the hot day, but shows less IAQ improvement and/or significant energy increases on the other days. The virus removal efficiency and pressure drop of the HVAC filter, fan efficiency, and internal heat gain are the most important parameters to determining the tradeoffs of the two strategies. Our results demonstrate how this model parameter uncertainty analysis methodology can provide practical guidance to building operators.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗