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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Improvements to CTF Code Verification and Unit Testing (FY2020)

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which focuses on improving Light Water Reactors (LWRs) through Modeling and Simulation. This hub, named the Consortium for the Advanced Simulation of LWRs (CASL), attempts to characterize and understand LWR behavior under normal operating conditions and use any gained insights to improve their efficiency. In collaboration with North Carolina State University (NCSU), CASL has worked extensively on the thermal-hydraulic subchannel code Coolant Boiling in Rod Arrays—Three Field (COBRA-TF). The NCSU/CASL version of COBRA-TF has been rebranded as CTF. This document focuses on code verification test problems that ensure CTF converges to the correct answer for the intended application. The suite of code verification tests are mapped to the underlying conservation equations of CTF, and significant gaps are addressed. Convergence behavior and numerical errors are quantified for each of the tests. Tests that converge at the correct rate to the corresponding analytic solution are incorporated into the CTF automated regression suite. A new verification utility is created for this purpose, which enables code verification by generalizing the process. For problems that do not behave correctly, the results are reported but the problem is not included in the regression suite. In addition to verification studies, this document also quantifies the existing tests of constitutive models. A few existing gaps are addressed by adding new unit tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

FY20 Improvements to CTF Code Verification and Unit Testing

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which focuses on improving Light Water Reactors (LWRs) through Modeling and Simulation. This hub, named the Consortium for the Advanced Simulation of LWRs (CASL), attempts to characterize and understand LWR behavior under normal operating conditions and use any gained insights to improve their efficiency. In collaboration with North Carolina State University (NCSU), CASL has worked extensively on the thermal-hydraulic subchannel code Coolant Boiling in Rod Arrays–Three Field (COBRA-TF). The NCSU/CASL version of COBRA-TF has been rebranded as CTF. This document focuses on code verification test problems that ensure CTF converges to the correct answer for the intended application. The suite of code verification tests are mapped to the underlying conservation equations of CTF, and significant gaps are addressed. Convergence behavior and numerical errors are quantified for each of the tests. Tests that converge at the correct rate to the corresponding analytic solution are incorporated into the CTF automated regression suite. A new verification utility is created for this purpose, which enables code verification by generalizing the process. For problems that do not behave correctly, the results are reported but the problem is not included in the regression suite. In addition to verification studies, this document also quantifies the existing tests of constitutive models. A few existing gaps are addressed by adding new unit tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1999

Stratospheric Temperature Changes: Observations and Model Simulations

This paper reviews observations of stratospheric temperatures that have been made over a period of several decades. Those observed temperatures have been used to assess variations and trends in stratospheric temperatures. A wide range of observation datasets have been used, comprising measurements by radiosonde (1940s to the present), satellite (1979 - present), lidar (1979 - present) and rocketsonde (periods varying with location, but most terminating by about the mid-1990s). In addition, trends have also been assessed from meteorological analyses, based on radiosonde and/or satellite data, and products based on assimilating observations into a general circulation model. Radiosonde and satellite data indicate a cooling trend of the annual-mean lower stratosphere since about 1980. Over the period 1979-1994, the trend is 0.6K/decade. For the period prior to 1980, the radiosonde data exhibit a substantially weaker long-term cooling trend. In the northern hemisphere, the cooling trend is about 0.75K/decade in the lower stratosphere, with a reduction in the cooling in mid-stratosphere (near 35 km), and increased cooling in the upper stratosphere (approximately 2 K per decade at 50 km). Model simulations indicate that the depletion of lower stratospheric ozone is the dominant factor in the observed lower stratospheric cooling. In the middle and upper stratosphere both the well-mixed greenhouse gases (such as CO) and ozone changes contribute in an important manner to the cooling.

Ramaswamy, V.↗
DOE OSTI2021

Process-based and observation-constrained SOA simulations in China: the role of semivolatile and intermediate-volatility organic compounds and OH levels

Organic aerosol (OA) is a major component of tropospheric submicron aerosol that contributes to air pollution and causes adverse effects on human health. Chemical transport models have difficulties in reproducing the variability in OA concentrations in polluted areas, hindering understanding of the OA budget and sources. Herein, we apply both process-based and observation-constrained schemes to simulate OA in GEOS-Chem. Comprehensive data sets of surface OA, OA components, secondary organic aerosol (SOA) precursors, and oxidants were used for model–observation comparisons. The base models generally underestimate the SOA concentrations in China. In the revised schemes, updates were made on the emissions, volatility distributions, and SOA yields of semivolatile and intermediate-volatility organic compounds (SVOCs and IVOCs) and additional nitrous acid sources. With all the model improvements, both the process-based and observation-constrained SOA schemes can reproduce the observed mass concentrations of SOA and show spatial and seasonal consistency with each other. Our best model simulations suggest that anthropogenic SVOCs and IVOCs are the dominant source of SOA, with a contribution of over 50% in most of China, which should be considered for pollution mitigation in the future. The residential sector may be the predominant source of SVOCs and IVOCs in winter, despite large uncertainty remaining in the emissions of IVOCs from the residential sector in northern China. The industry sector is also an important source of IVOCs, especially in summer. More SVOC and IVOC measurements are needed to constrain their emissions. Besides, the results highlight the sensitivity of SOA to hydroxyl radical (OH) levels in winter in polluted environments. The addition of nitrous acid sources can lead to over 30% greater SOA mass concentrations in winter in northern China. It is important to have good OH simulations in air quality models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2015

Trend Estimates of AERONET-Observed and Model-Simulated AOTs Between 1993 and 2013

Recently, temporal changes in Aerosol Optical Thickness (AOT) have been investigated based on model simulations, satellite and ground-based observations. Most AOT trend studies used monthly or annual arithmetic means that discard details of the generally right-skewed AOT distributions. Potentially, such results can be biased by extreme values (including outliers). This study additionally uses percentiles (i.e., the lowest 5%, 25%, 50%, 75% and 95% of the monthly cumulative distributions fitted to Aerosol Robotic Network (AERONET)-observed and ECHAM/MESSy Atmospheric Chemistry (EMAC)-model simulated AOTs) that are less affected by outliers caused by measurement error, cloud contamination and occasional extreme aerosol events. Since the limited statistical representativeness of monthly percentiles and means can lead to bias, this study adopts the number of observations as a weighting factor, which improves the statistical robustness of trend estimates. By analyzing the aerosol composition of AERONET-observed and EMAC-simulated AOTs in selected regions of interest, we distinguish the dominant aerosol types and investigate the causes of regional AOT trends. The simulated and observed trends are generally consistent with a high correlation coefficient (R = 0.89) and small bias (slope+/-2(sigma) = 0.75 +/- 0.19). A significant decrease in EMAC-decomposed AOTs by water-soluble compounds and black carbon is found over the USA and the EU due to environmental regulation. In particular, a clear reversal in the AERONET AOT trend percentiles is found over the USA, probably related to the AOT diurnal cycle and the frequency of wildfires. In most of the selected regions of interest, EMAC-simulated trends are mainly attributed to the significant changes of the dominant aerosols; e.g., significant decrease in sea salt and water soluble compounds over Central America, increase in dust over Northern Africa and Middle East, and decrease in black carbon and organic carbon over Australia.

AERONET↗
NASA NTRS1999

Thin Interface Asymptotics for an Energy/Entropy Approach to Phase-Field Models with Unequal Conductivities

Karma and Rapped recently developed a new sharp interface asymptotic analysis of the phase-field equations that is especially appropriate for modeling dendritic growth at low undercoolings. Their approach relieves a stringent restriction on the interface thickness that applies in the conventional asymptotic analysis, and has the added advantage that interfacial kinetic effects can also be eliminated. However, their analysis focussed on the case of equal thermal conductivities in the solid and liquid phases; when applied to a standard phase-field model with unequal conductivities, anomalous terms arise in the limiting forms of the boundary conditions for the interfacial temperature that are not present in conventional sharp-interface solidification models, as discussed further by Almgren. In this paper we apply their asymptotic methodology to a generalized phase-field model which is derived using a thermodynamically consistent approach that is based on independent entropy and internal energy gradient functionals that include double wells in both the entropy and internal energy densities. The additional degrees of freedom associated with the generalized phased-field equations can be chosen to eliminate the anomalous terms that arise for unequal conductivities.

McFadden, G. B.↗
NASA NTRS1959

Transonic Aerodynamic Characteristics of a 45 deg Swept Wing Fuselage Model with a Finned and Unfinned Body Pylon Mounted Beneath the Fuselage or Wing, Including Measurements of Body Loads

An investigation of a model of a standard size body in combination with a representative 45 deg swept-wing-fuselage model has been conducted in the Langley 8-foot transonic pressure tunnel over a Mach number range from 0.80 to 1.43. The body, with a fineness ratio of 8.5, was tested with and without fins, and was pylon-mounted beneath the fuselage or wing. Force measurements were obtained on the wing-fuselage model with and without the body, for an angle-of-attack range from -2 deg to approximately 12 deg and an angle-of-sideslip range from -8 deg to 8 deg. In addition, body loads were measured over the same angle-of-attack and angle-of-sideslip range. The Reynolds number for the investigation, based on the wing mean aerodynamic chord, varied from 1.85 x 10(exp 6) to 2.85 x 10(exp 6). The addition of the body beneath the fuselage or the wing increased the drag coefficient of the complete model over the Mach number range tested. On the basis of the drag increase per body, the under-fuselage position was the more favorable. Furthermore, the bodies tended to increase the lateral stability of the complete model. The variation of body loads with angle of attack for the unfinned bodies was generally small and linear over the Mach number range tested with the addition of fins causing large increases in the rates of change of normal-force coefficient and nose-down pitching-moment coefficient. The variation of body side-force coefficient with sideslip for the unfinned body beneath the fuselage was at least twice as large as the variation of this load for the unfinned body beneath the wing. The addition of fins to the body beneath either the fuselage or the wing approximately doubled the rate of change of body side-force coefficient with sideslip. Furthermore, the variation of body side-force coefficient with sideslip for the body beneath the wing was at least twice as large as the variation of this load with angle of attack.

Wornom, Dewey E.↗
DOE OSTI2020

A Novel use of Direct Simulation Monte-Carlo to Model Dynamics of COVID-19 Pandemic Spread

In this report, we evaluate a novel method for modeling the spread of COVID-19 pandemic. In this new approach we leverage methods and algorithms developed for fully-kinetic plasma physics simulations using Particle-In-Cell (PIC) Direct Simulation Monte-Carlo (DSMC) models. This approach then leverages Sandia-unique simulation capabilities, and High-Performance Computer (HPC) resources and expertise in particle-particle interactions using stochastic processes. Our hypothesis is that this approach would provide a more efficient platform with assumptions based on physical data that would then enable the user to assess the impact of mitigation strategies and forecast different phases of infection. This work addresses key scientific questions related to the assumptions this new approach must make to model the interactions of people using algorithms typically used for modeling particle interactions in physics codes (kinetic plasma, gas dynamics). The model developed uses rational/physical inputs while also providing critical insight; the results could serve as inputs to, or alternatives for, existing models. The model work presented was developed over a four-week time frame, thus far showing promising results and many ways in which this model/approach could be improved. This work is aimed at providing a proof-of-concept for this new pandemic modeling approach, which could have an immediate impact on the COVID-19 pandemic modeling, while laying a basis to model future pandemic scenarios in a manner that is timely and efficient. Additionally, this new approach provides new visualization tools to help epidemiologists comprehend and articulate the spread of this and other pandemics as well as a more general tool to determine key parameters needed in order to better predict pandemic modeling in the future. In the report we describe our model for pandemic modeling, apply this model to COVID-19 data for New York City (NYC), assess model sensitivities to different inputs and parameters and , finally, propagate the model forward under different conditions to assess the effects of mitigation and associated timing. Finally, our approach will help understand the role of asymptomatic cases, and could be extended to elucidate the role of recovered individuals in the second round of the infection, which is currently being ignored.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces

Here, this paper focuses on the development of multifidelity modeling approaches using neural network surrogates, where training data arising from multiple model forms and resolutions are integrated to predict high-fidelity response quantities of interest at lower cost. We focus on the context of quantum chemistry and the integration of information from multiple levels of theory. Important foundations include the use of symmetry function-based atomic energy vector constructions as feature vectors for representing structures across families of molecules and single-fidelity neural network training capabilities that learn the relationships needed to map feature vectors to potential energy predictions. These foundations are embedded within several multifidelity topologies that decompose the high-fidelity mapping into model-based components, including sequential formulations that admit a general nonlinear mapping across fidelities and discrepancy-based formulations that presume an additive decomposition. Methodologies are first explored and demonstrated on a pair of simple analytical test problems and then deployed for potential energy prediction for C 5 H 5 using B2PLYP-D3/6-311++G(d,p) for high-fidelity simulation data and Hartree–Fock 6-31G for low-fidelity data. For the common case of limited access to high-fidelity data, our computational results demonstrate that multifidelity neural network potential energy surface constructions achieve roughly an order of magnitude improvement, either in terms of test error reduction for equivalent total simulation cost or reduction in total cost for equivalent error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Water Impact Test and Simulation of a Composite Energy Absorbing Fuselage Section

In March 2002, a 25-ft/s vertical drop test of a composite fuselage section was conducted onto water. The purpose of the test was to obtain experimental data characterizing the structural response of the fuselage section during water impact for comparison with two previous drop tests that were performed onto a rigid surface and soft soil. For the drop test, the fuselage section was configured with ten 100-lb. lead masses, five per side, that were attached to seat rails mounted to the floor. The fuselage section was raised to a height of 10-ft. and dropped vertically into a 15-ft. diameter pool filled to a depth of 3.5-ft. with water. Approximately 70 channels of data were collected during the drop test at a 10-kHz sampling rate. The test data were used to validate crash simulations of the water impact that were developed using the nonlinear, explicit transient dynamic codes, MSC.Dytran and LS-DYNA. The fuselage structure was modeled using shell and solid elements with a Lagrangian mesh, and the water was modeled with both Eulerian and Lagrangian techniques. The fluid-structure interactions were executed using the fast general coupling in MSC.Dytran and the Arbitrary Lagrange-Euler (ALE) coupling in LS-DYNA. Additionally, the smooth particle hydrodynamics (SPH) meshless Lagrangian technique was used in LS-DYNA to represent the fluid. The simulation results were correlated with the test data to validate the modeling approach. Additional simulation studies were performed to determine how changes in mesh density, mesh uniformity, fluid viscosity, and failure strain influence the test-analysis correlation.

Fasanella, Edwin L.↗
DOE OSTI2025

Intelligent Manufacturing Support: Specialized LLMs for Composite Material Processing and Equipment Operation

Engineering educational curriculum and standards cover many material and manufacturing options. However, engineers and designers are often unfamiliar with certain composite materials or manufacturing techniques. Large language models (LLMs) could potentially bridge the gap. Their capacity to store and retrieve data from large databases provides them with a breadth of knowledge across disciplines. However, their generalized knowledge base can lack targeted, industry-specific knowledge. To this end, we present two LLM-based applications based on the GPT-4 architecture: (1) The Composites Guide: a system that provides expert knowledge on composites material and connects users with research and industry professionals who can provide additional support and (2) The Equipment Assistant: a system that provides guidance for manufacturing tool operation and material characterization. By combining the knowledge of general AI models with industry-specific knowledge, both applications are intended to provide more meaningful information for engineers. In this paper, we discuss the development of the applications and evaluate it through a benchmark and two informal user studies. The benchmark analysis uses the Rouge and Bertscore metrics to evaluate our models’ performance against GPT-4o. The results show that GPT-4o and the proposed models perform similarly or better on the ROUGE and BERTScore metrics. The two user studies supplement this quantitative evaluation by asking experts to provide qualitative and open-ended feedback about our model’s performance on a set of domain-specific questions. The results of both studies highlight a potential for more detailed and specific responses with the Composites Guide and the Equipment Assistant.

Kapoor, Gunnika [Oak Ridge National Laboratory (OR↗
DOE OSTI2021

A general theory of avian migratory connectivity

Birds exhibit a remarkable array of seasonal migrations. Despite much research describing migratory behaviour, the underlying forces driving how a species’ breeding and wintering populations redistribute each year, that is, migratory connectivity, remain largely unknown. Here, we test the hypothesis that birds migrate in a way that minimises energy expenditure while considering intraspecific competition for energy acquisition, by developing a modelling framework that simulates an optimal redistribution of individuals between breeding and wintering areas. Using 25 species across the Americas, we find that the model accurately predicts empirical migration patterns, and thus offers a general explanation for migratory connectivity based on first ecological and energetic principles. Our model provides a strong basis for exploring additional processes underlying the ecology and evolution of migration, but also a framework for predicting how migration impacts local adaptation across seasons and how environmental change may affect population dynamics in migratory species.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Warped compactifications and holographic duality

We review warped compactifications of superstring theory with some attention to the limit in which these resemble “bottom-up” phenomenological models. In addition to some discussion of the original Klebanov–Witten and Klebanov–Strassler setups, we also touch on various generalizations of the geometry that have been considered. Various other systems with a holographic duality are also briefly reviewed. The point of this latter exploration is to illustrate how far beyond the standard AdS 5 × S 5 setup things have moved over the years.

Physics↗
DOE OSTI2021

A New Method for High Resolution Surface Change Detection: Data Collection and Validation of Measurements from UAS at the Nevada National Security Site, Nevada, USA

The use of uncrewed aerial systems (UAS) increases the opportunities for detecting surface changes in remote areas and in challenging terrain. Detecting surface topographic changes offers an important constraint for understanding earthquake damage, groundwater depletion, effects of mining, and other events. For these purposes, changes on the order of 5–10 cm are readily detected, but sometimes it is necessary to detect smaller changes. An example is the surface changes that result from underground explosions, which can be as small as 3 cm. Previous studies that described change detection methodologies were generally not aimed at detecting sub-5-cm changes. Additionally, studies focused on high-fidelity accuracy were either computationally modeled or did not fully provide the necessary examples to highlight the usability of these workflows. Detecting changes at this threshold may be critical in certain applications, such as global security research and monitoring for high-consequence natural hazards, including landslides. Here we provide a detailed description of the methodology we used to detect 2–3 cm changes in an important applied research setting—surface changes related to underground explosions. This methodology improves the accuracy of change detection data collection and analysis through the optimization of pre-field planning, surveying, flight operations, and post-processing the collected data, all of which are critical to obtaining the highest output data resolution possible. We applied this methodology to a field study location, collecting 1.4 Tb of images over the course of 30 flights, and location data for 239 ground control points (GCPs). We independently verified changes with orthoimagery, and found that structure-from-motion, software-reported root mean square errors (RMSEs) for both control and check points underestimated the actual error. We found that 3 cm changes are detectable with this methodology, thereby improving our knowledge of a rock’s response to underground explosions.

47 OTHER INSTRUMENTATION↗
NASA NTRS1993

A two-dimensional MHD global coronal model - Steady-state streamers

We describe a two-dimensional time-dependent, numerical, magnetohydrodynamic model for the determination of the physical properties of coronal streamers from the top of the transition zone (solar radius = 1) to 15 solar radii. Four examples are given: for dipole, quadrupole, and hexapole initial field topologies. The computed parameters are density, temperature, velocity, and magnetic field. In addition to the properties of the solutions, their accuracy is discussed. We use the model as the basis for a general discussion of the way boundary conditions are specified in this and similar simulations.

Wang, A.-H.↗
NASA NTRS1994

Spectral properties of blast-wave models of gamma-ray burst sources

We calculate the spectrum of blast-wave models of gamma-ray burst sources, for various assumptions about the magnetic field density and the relativistic particle acceleration efficiency. For a range of physically plausible models we find that the radiation efficiency is high and leads to nonthermal spectra with breaks at various energies comparable to those observed in the gamma-ray range. Radiation is also predicted at other wavebands, in particular at X-ray, optical/UV, and GeV/TeV energies. We discuss the spectra as a function of duration for three basic types of models, and for cosmological, halo, and galactic disk distances. We also evaluate the gamma-ray fluences and the spectral characteristics for a range of external densities. Impulsive burst models at cosmological distances can satisfy the conventional X-ray paucity constraint S(sub x)/S(sub gamma)less than a few percent over a wide range of durations, but galactic models can do so only for bursts shorter than a few seconds, unless additional assumptions are made. The emissivity is generally larger for bursts in a denser external environment, with the efficiency increasing up to the point where all the energy input is radiated away.

Meszaros, P.↗
NASA NTRS2000

An Overview of the NASA Aviation Safety Program Propulsion Health Monitoring Element

The NASA Aviation Safety Program (AvSP) has been initiated with aggressive goals to reduce the civil aviation accident rate, To meet these goals, several technology investment areas have been identified including a sub-element in propulsion health monitoring (PHM). Specific AvSP PHM objectives are to develop and validate propulsion system health monitoring technologies designed to prevent engine malfunctions from occurring in flight, and to mitigate detrimental effects in the event an in-flight malfunction does occur. A review of available propulsion system safety information was conducted to help prioritize PHM areas to focus on under the AvSP. It is noted that when a propulsion malfunction is involved in an aviation accident or incident, it is often a contributing factor rather than the sole cause for the event. Challenging aspects of the development and implementation of PHM technology such as cost, weight, robustness, and reliability are discussed. Specific technology plans are overviewed including vibration diagnostics, model-based controls and diagnostics, advanced instrumentation, and general aviation propulsion system health monitoring technology. Propulsion system health monitoring, in addition to engine design, inspection, maintenance, and pilot training and awareness, is intrinsic to enhancing aviation propulsion system safety.

Simon, Donald L.↗
NASA NTRS2006

Space Shuttle Main Engine Low Pressure Oxidizer Turbo-Pump Inducer Dynamic Environment Characterization through Water Model and Hot-Fire Testing

The Low Pressure Oxidizer Turbopump (LPOTP) inducer on the Block II configuration Space Shuttle Main Engine (SSME) experienced blade leading edge ripples during hot firing. This undesirable condition led to a minor redesign of the inducer blades. This resulted in the need to evaluate the performance and the dynamic environment of the redesign, relative to the current configuration, as part of the design acceptance process. Sub-scale water model tests of the two inducer configurations were performed, with emphasis on the dynamic environment due to cavitation induced vibrations. Water model tests were performed over a wide range of inlet flow coefficient and pressure conditions, representative of the scaled operating envelope of the Block II SSME, both in flight and in ground hot-fire tests, including all power levels. The water test hardware, facility set-up, type and placement of instrumentation, the scope of the test program, specific test objectives, data evaluation process and water test results that characterize and compare the two SSME LPOTP inducers are discussed. In addition, dynamic characteristics of the two water models were compared to hot fire data from specially instrumented ground tests. In general, good agreement between the water model and hot fire data was found, which confirms the value of water model testing for dynamic characterization of rocket engine turbomachinery.

Patrick Arellano↗