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Monte Carlo Computational Modeling of Atomic Oxygen Interactions

Computational modeling of the erosion of polymers caused by atomic oxygen in low Earth orbit (LEO) is useful for determining areas of concern for spacecraft environment durability. Successful modeling requires that the characteristics of the environment such as atomic oxygen energy distribution, flux, and angular distribution be properly represented in the model. Thus whether the atomic oxygen is arriving normal to or inclined to a surface and whether it arrives in a consistent direction or is sweeping across the surface such as in the case of polymeric solar array blankets is important to determine durability. When atomic oxygen impacts a polymer surface it can react removing a certain volume per incident atom (called the erosion yield), recombine, or be ejected as an active oxygen atom to potentially either react with other polymer atoms or exit into space. Scattered atoms can also have a lower energy as a result of partial or total thermal accommodation. Many solutions to polymer durability in LEO involve protective thin films of metal oxides such as SiO2 to prevent atomic oxygen erosion. Such protective films also have their own interaction characteristics. A Monte Carlo computational model has been developed which takes into account the various types of atomic oxygen arrival and how it reacts with a representative polymer (polyimide Kapton H) and how it reacts at defect sites in an oxide protective coating, such as SiO2 on that polymer. Although this model was initially intended to determine atomic oxygen erosion behavior at defect sites for the International Space Station solar arrays, it has been used to predict atomic oxygen erosion or oxidation behavior on many other spacecraft components including erosion of polymeric joints, durability of solar array blanket box covers, and scattering of atomic oxygen into telescopes and microwave cavities where oxidation of critical component surfaces can take place. The computational model is a two dimensional model which has the capability to tune the interactions of how the atomic oxygen reacts, scatters, or recombines on polymer or nonreactive surfaces. In addition to the specification of atomic oxygen arrival details, a total of 15 atomic oxygen interaction parameters have been identified as necessary to properly simulate observed interactions and resulting polymer erosion that have been observed in LEO. The tuning of the Monte Carlo model has been accomplished by adjusting interaction parameters so the erosion patterns produced by the model match those from several actual LEO space experiments. Surface texturing in LEO can also be predicted by the model. Such comparison of space tests with ground laboratory experiments have enabled confidence in ground laboratory lifetime prediction of protected polymers. Results of Monte Carlo tuning, examples of surface texturing and undercutting erosion prediction, and several examples of how the model can be used to predict other LEO and Mars orbital space results are presented.

Monte Carlo Modeling↗

Monte Carlo Computational Modeling of Atomic Oxygen Interactions

Computational modeling of the erosion of polymers caused by atomic oxygen in low Earth orbit (LEO) is useful for determining areas of concern for spacecraft environment durability. Successful modeling requires that the characteristics of the environment such as atomic oxygen energy distribution, flux, and angular distribution be properly represented in the model. Thus whether the atomic oxygen is arriving normal to or inclined to a surface and whether it arrives in a consistent direction or is sweeping across the surface such as in the case of polymeric solar array blankets is important to determine durability. When atomic oxygen impacts a polymer surface it can react removing a certain volume per incident atom (called the erosion yield), recombine, or be ejected as an active oxygen atom to potentially either react with other polymer atoms or exit into space. Scattered atoms can also have a lower energy as a result of partial or total thermal accommodation. Many solutions to polymer durability in LEO involve protective thin films of metal oxides such as SiO2 to prevent atomic oxygen erosion. Such protective films also have their own interaction characteristics. A Monte Carlo computational model has been developed which takes into account the various types of atomic oxygen arrival and how it reacts with a representative polymer (polyimide Kapton H) and how it reacts at defect sites in an oxide protective coating, such as SiO2 on that polymer. Although this model was initially intended to determine atomic oxygen erosion behavior at defect sites for the International Space Station solar arrays, it has been used to predict atomic oxygen erosion or oxidation behavior on many other spacecraft components including erosion of polymeric joints, durability of solar array blanket box covers, and scattering of atomic oxygen into telescopes and microwave cavities where oxidation of critical component surfaces can take place. The computational model is a two dimensional model which has the capability to tune the interactions of how the atomic oxygen reacts, scatters, or recombines on polymer or nonreactive surfaces. In addition to the specification of atomic oxygen arrival details, a total of 15 atomic oxygen interaction parameters have been identified as necessary to properly simulate observed interactions and resulting polymer erosion that have been observed in LEO. The tuning of the Monte Carlo model has been accomplished by adjusting interaction parameters so the erosion patterns produced by the model match those from several actual LEO space experiments. Surface texturing in LEO can also be predicted by the model. Such comparison of space tests with ground laboratory experiments have enabled confidence in ground laboratory lifetime prediction of protected polymers. Results of Monte Carlo tuning, examples of surface texturing and undercutting erosion prediction, and several examples of how the model can be used to predict other LEO and Mars orbital space results are presented.

Atomic Oxygen↗

Formation of the Potential Jump Over the Geomagnetically Quiet Sunlit Polar Cap Region

We consider the formation of a potential drop over the Earth's polar cap duringgeomagnetically quiet daytime. The observed potential drop is primarily defined by the hydrogen,photoelectron, and polar rain fluxes ratios and depends strongly on the energy distribution of thephotoelectron flux. Polar rain is an essential component of the model required for plasma quasineutrality.The potential distribution along the magnetic field line has two regions, with a small, gradual, potentialdrop of 3–4 V and a potential jump. The value of the potential jump depends on the hydrogen ion tophotoelectron flux ratio and is also controlled by polar rain electrons. With quasineutrality required at itsupper boundary, the jump only occurs in the presence of polar rain and its location depends on the polarrain flux. Model predictions compare well with FAST observations presented by Kitamura et al.(2012, https://doi.org/10.1029/2011JA017459).

Khazanov, George V.↗

Development of an Improved RELAP5-3D Model for the High Temperature Test Facility

High-temperature gas-cooled reactors (HTGRs) are rapidly approaching deployment. Confidence in transient analysis of these systems for design, optimization, and licensing calculations requires modeling and simulation tools that have been validated against data relevant to HTGR conditions. The High Temperature Test Facility (HTTF) is an integral effects thermal hydraulics test facility for prismatic HTGRs. In spring and summer of 2019, HTTF was used for a series of experiments that now serve as the basis for the OECD/NEA Thermal Hydraulic Code Validation Benchmark for High Temperature Gas-Cooled Reactors using HTTF Data (HTGR T/H Benchmark). This benchmark contains problems for systems code, computational fluid dynamics (CFD), and coupled systems code/CFD modeling representing lower plenum mixing and both the depressurized and pressurized conduction cooldown (DCC and PCC respectively) transients. Benchmark problems include exercises for code-to-code and code-to-data comparisons as well as an exercise for error scaling between HTTF and the Modular High Temperature Gas-Cooled Reactor, which serves as the basis for the HTTF design. Previous analysis as part of the HTGR T/H benchmark used a RELAP5-3D model developed at Idaho National Laboratory (INL) and demonstrated an ability to reproduce trends in the measured data but difficulties reproducing experimental values within their uncertainty. These difficulties were largely attributed to assumptions made during the development of the initial RELAP5-3D model, which predated the HTTF experiments. A significant cause of difficulty reproducing the measured temperatures may be the radial nodalization of the previous RELAP5-3D model. The new model provides a finer nodalization to assess the impact of radial nodalization and allows for asymmetric heating within the core, which was a feature of multiple HTTF experiments. In this paper, we present the new RELAP5-3D model of HTTF. In addition to describing the new model, this paper compares the new and old models and provides results for a full-power steady state, a DCC, and a PCC in HTTF. These analyses are based on the code-to-code comparison exercises for the DCC and PCC problems of the HTGR T/H benchmark. We present the results of these exercises from the new model and compare them to the results of the old model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Design of a rotary stepped auger for a lunar environment

A lunar outpost will have need for deep drilling operations for both explorative and practical purposes. As in any drilling operation, the cuttings must be cleared from the hole. The hard vacuum of the lunar environment renders conventional flushing methods of cutting removal unfeasible, and requires a new system of removal. A rotary stepped auger (RSA) is a simple mechanical method of removing dry cuttings from a deep hole, and is ideally suited to the lunar environment. The RSA consists of a helical auger with stepped ramps which allow cuttings to slide up the helix, but will prevent them from sliding back down. The auger is driven in a pulsed manner by applying a periodic function of acceleration to the auger shaft. These pulses will compel the cuttings to slide up the auger's helix while the stepped ramps prevent the cuttings from backsliding while the auger accelerates. A mathematical model of the RSA was developed and experimentally evaluated. The math model produced a good baseline design, but the experimental model required some tuning to account for the approximations made in the math model. This design is suited for lunar drilling because it is mechanically simple, integral to the drill string, requires no fluids, is suited to the dry soil, and has relatively low weight and power requirements.

Dardet, Eduardo↗

Fatigue Crack Growth and Crack Bridging in SCS-6/Ti-24-11

Interfacial damage induced by relative fiber/matrix sliding was found to occur in the bridged zone of unidirectional SCS-6/Ti-24Al-11Nb intermetallic matrix composite specimens subjected to fatigue crack growth conditions. The degree of interfacial damage was not uniform along the bridged crack wake. Higher damage zones were observed near the machined notch in comparison to the crack tip. The interfacial friction shear strength tau(sub f) measured in the crack wake using pushout testing revealed lower values than the as-received interface. Interfacial wear also reduced the strength of the bridging fibers. The reduction in fiber strength is thought to be a function of the magnitude of relative fiber/matrix displacements ind the degree of interfacial damage. Furthermore, two different fiber bridging models were used to predict the influence of bridging on the fatigue crack driving force. The shear lag model required a variable tau(sub f) in the crack wake (reflecting the degradation of the interface) before its predictions agreed with trends exhibited by the experimental data. The fiber pressure model did an excellent job in predicting both the FCG data and the DeltaCOD in the bridged zone even though it does not require a knowledge of tau(sub f).

Ghosn, Louis J.↗

Spectroscopic Measurements and Models of Energy Deposition in the Substrate of Quantum Circuits by Natural Ionizing Radiation

Naturally occurring background radiation is a potential source of correlated decoherence events in superconducting qubits that will challenge error-correction schemes. In order to characterize the radiation environment in an unshielded laboratory representative of superconducting qubits’ environments, we performed broadband, spectroscopic measurements of background radiation events inside a millikelvin refrigerator. The spectrometer was designed to mimic the size and composition of a quantum circuit. Specifically, we measured the background radiation spectra in silicon substrates of two thicknesses, 500 and 1500 µm, and one area, 25 mm 2 . The observed spectra span energies from a few kilo-electron-volts up to nearly 10 MeV, are nearly featureless, and decrease in intensity by a factor of 40 000 between 100 keV and 3 MeV for the 500-µm substrate. We integrate the spectra to obtain the average event rates and deposited power levels. These quantities correspond to a rate of 0.023 events per second and a power of 4.9 keV s -1 , when counting events that deposit at least 40 keV for the 500-µm-thick substrate. We find that the cryogenic measurements are in good agreement with predictions based on simple measurements of the terrestrial gamma-ray flux outside the refrigerator, published models of cosmic-ray fluxes, a crude model of the cryostat, and radiation-transport simulations. This model requires no free parameters to predict the background radiation spectra in the silicon substrates. The agreement between measurements and predictions demonstrates that the model we present can be used to assess the relative contributions of terrestrial and cosmic-ray sources to background radiation interactions in silicon substrates of varying thickness. These spectroscopic measurements are performed with a novel combination of superconducting microresonators located on micromachined silicon islands that define the interaction volume with background radiation. The resonators transduce deposited energy to a readily detectable electrical signal. Microresonator readout closely resembles dispersive superconducting qubit readout, so similar devices—with or without micromachined islands—are suitable for integration with superconducting quantum circuits as detectors for background radiation events. For our specific laboratory conditions, we find that gamma-ray emissions from radioisotopes are responsible for the majority of events that deposit E < 1 ⁢Me⁢V. We present results demonstrating that the background radiation spectrum contains relevant contributions from cosmic-ray particles other than muons, particularly a tail of multi-mega-electron-volt events due to protons and neutrons. These observations suggest several paths to reducing the impact of background radiation on quantum circuits, supported by an empirically validated model for generating reliable predictions of radiation interactions with silicon substrates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Semantic schemas like Haystack 4, Brick and ASHRAE standard 223 enable the structured, standardized, and machine-readable representation of building data, facilitating interoperability, data integration, and advanced analytics. However, extracting information from these models requires specialized expertise in SPARQL and other programming languages, skills that are not commonly found among building professionals. Recent advancements in Large Language Models (LLMs), such as ChatGPT, enable the construction of queries using natural language, making it easier for individuals to interact with these systems in a manner that resembles everyday speech. However, these methods have not yet been tested on building semantic ontologies. This paper introduces a novel workflow and tool for enabling users to ask questions about a specific building's data, using natural language and receive answers automatically generated by GPT-4o. Our approach integrates semantic ontologies with advanced LLM capabilities to automate three critical steps: (1) generating SPARQL queries to retrieve time series references from ontological models, (2) extracting the corresponding time series data from the Building Automation System, and (3) performing computations and visualizations tailored to the user's query. The proposed method simplifies access to BAS data, allowing both domain experts and non-specialists to conduct sophisticated analyses without needing extensive technical knowledge of semantic web technologies. By demonstrating this pipeline, we facilitate more accessible and scalable data-driven decision-making in building operations and management.

Mulayim, Ozan Baris↗

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Semantic schemas like Haystack 4, Brick and ASHRAE standard 223 enable the structured, standardized, and machine-readable representation of building data, facilitating interoperability, data integration, and advanced analytics. However, extracting information from these models requires specialized expertise in SPARQL and other programming languages, skills that are not commonly found among building professionals. Recent advancements in Large Language Models (LLMs), such as ChatGPT, enable the construction of queries using natural language, making it easier for individuals to interact with these systems in a manner that resembles everyday speech. However, these methods have not yet been tested on building semantic ontologies. This paper introduces a novel workflow and tool for enabling users to ask questions about a specific building's data, using natural language and receive answers automatically generated by GPT-4o. Our approach integrates semantic ontologies with advanced LLM capabilities to automate three critical steps: (1) generating SPARQL queries to retrieve time series references from ontological models, (2) extracting the corresponding time series data from the Building Automation System, and (3) performing computations and visualizations tailored to the user's query. The proposed method simplifies access to BAS data, allowing both domain experts and non-specialists to conduct sophisticated analyses without needing extensive technical knowledge of semantic web technologies. By demonstrating this pipeline, we facilitate more accessible and scalable data-driven decision-making in building operations and management.

Mulayim, Ozan Baris↗

Magnetic variations during substorms

Extensive observations of magnetic field variations during auroral substorms have been used to construct phenomenological models of the substorm process. In one model, three substorm phases, growth, expansion and recovery correspond respectively to energy storage, energy release and return to equilibrium. New data and more detailed studies show the simple model required modification. Consideration is given to a number of recent studies of substorm magnetic field variations which illustrate the limitations of the simple model. These include the existence of several substorm expansions following a single growth phase; the frequent occurrence of multiple onsets of a single substorm; plasma sheet thinning prior to each onset; correlations between northward fluctuations of the IMF and expansion onset. These observations are incorporated into a revised phenomenological model.

Mcpherron, R. L.↗

Tidal dissipation in a viscoelastic planet

Tidal dissipation is examined using Maxwell standard liner solid (SLS), and Kelvin-Voigt models, and viscosity parameters are derived from the models that yield the amount of dissipation previously calculated for a moon model with QW = 100 in a hypothetical orbit closer to the earth. The relevance of these models is then assessed for simulating planetary tidal responses. Viscosities of 10 exp 14 and 10 ex 18 Pa s for the Kelvin-Voigt and Maxwell rheologies, respectively, are needed to match the dissipation rate calculated using the Q approach with a quality factor = 100. The SLS model requires a short time viscosity of 3 x 10 exp 17 Pa s to match the Q = 100 dissipation rate independent of the model's relaxation strength. Since Q = 100 is considered a representative value for the interiors of terrestrial planets, it is proposed that derived viscosities should characterize planetary materials. However, it is shown that neither the Kelvin-Voigt nor the SLS models simulate the behavior of real planetary materials on long time scales. The Maxwell model, by contrast, behaves realistically on both long and short time scales. The inferred Maxwell viscosity, corresponding to the time scale of days, is several times smaller than the longer time scale (greater than or equal to 10 exp 14 years) viscosity of the earth's mantle.

Ross, M.↗

Ground-based grasslands data to support remote sensing and ecosystem modeling of terrestrial primary production

Estimating terrestrial net primary production (NPP) using remote-sensing tools and ecosystem models requires adequate ground-based measurements for calibration, parameterization, and validation. These data needs were strongly endorsed at a recent meeting of ecosystem modelers organized by the International Geosphere-Biosphere Program's (IGBP's) Data and Information System (DIS) and its Global Analysis, Interpretation, and Modelling (GAIM) Task Force. To meet these needs, a multinational, multiagency project is being coordinated by the IGBP DIS to compile existing NPP data from field sites and to regionalize NPP point estimates to various-sized grid cells. Progress at Oak Ridge National Laboratory (ORNL) on compiling NPP data for grasslands as part of the IGBP DIS data initiative is described. Site data and associated documentation from diverse field studies are being acquired for selected grasslands and are being reviewed for completeness, consistency, and adequacy of documentation, including a description of sampling methods. Data are being compiled in a database with spatial, temporal, and thematic characteristics relevant to remote sensing and global modeling. NPP data are available from the ORNL Distributed Active Archive Center (DAAC) for biogeochemical dynamics. The ORNL DAAC is part of the Earth Observing System Data and Information System, of the US National Aeronautics and Space Administration.

Olson, R. J.↗

Advances in Scientific Balloon Thermal Modeling

The National Aeronautics and Space Administration's Balloon Program office has long acknowledged that the accurate modeling of balloon performance and flight prediction is dependant on how well the balloon is thermally modeled. This ongoing effort is focused on developing accurate balloon thermal models that can be used to quickly predict balloon temperatures and balloon performance. The ability to model parametric changes is also a driver for this effort. This paper will present the most recent advances made in this area. This research effort continues to utilize the "Thrmal Desktop" addition to AUTO CAD for the modeling. Recent advances have been made by using this analytical tool. A number of analyses have been completed to test the applicability of this tool to the problem with very positive results. Progressively detailed models have been developed to explore the capabilities of the tool as well as to provide guidance in model formulation. A number of parametric studies have been completed. These studies have varied the shape of the structure, material properties, environmental inputs, and model geometry. These studies have concentrated on spherical "proxy models" for the initial development stages and then to transition to the natural shaped zero pressure and super pressure balloons. An assessment of required model resolution has also been determined. Model solutions have been cross checked with known solutions via hand calculations. The comparison of these cases will also be presented. One goal is to develop analysis guidelines and an approach for modeling balloons for both simple first order estimates and detailed full models. This papa presents the step by step advances made as part of this effort, capabilities, limitations, and the lessons learned. Also presented are the plans for further thermal modeling work.

Bohaboj, T.↗

New Model Exhaust System Supports Testing in NASA Lewis' 10- by 10-Foot Supersonic Wind Tunnel

In early 1996, the ability to run NASA Lewis Research Center's Abe Silverstein 10- by 10- Foot Supersonic Wind Tunnel (10x10) at subsonic test section speeds was reestablished. Taking advantage of this new speed range, a subsonic research test program was scheduled for the 10x10 in the fall of 1996. However, many subsonic aircraft test models require an exhaust source to simulate main engine flow, engine bleed flows, and other phenomena. This was also true of the proposed test model, but at the time the 10x10 did not have a model exhaust capability. So, through an in-house effort over a period of only 5 months, a new model exhaust system was designed, installed, checked out, and made ready in time to support the scheduled test program.

Roeder, James W., Jr.↗

Modification of a Macromechanical Finite-Element Based Model for Impact Analysis of Triaxially-Braided Composites

A macro level finite element-based model has been developed to simulate the mechanical and impact response of triaxially-braided polymer matrix composites. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. For the current analytical approach, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. The constitutive model requires stiffness and strength properties of an equivalent unidirectional composite. Simplified micromechanics methods are used to determine the equivalent stiffness properties, and results from coupon level tests on the braided composite are utilized to back out the required strength properties. Simulations of quasi-static coupon tests of several representative braided composites are conducted to demonstrate the correlation of the model. Impact simulations of a represented braided composites are conducted to demonstrate the capability of the model to predict the penetration velocity and damage patterns obtained experimentally.

Goldberg, Robert K.↗

Estimation of Unsteady Aerodynamic Models from Dynamic Wind Tunnel Data

Demanding aerodynamic modelling requirements for military and civilian aircraft have motivated researchers to improve computational and experimental techniques and to pursue closer collaboration in these areas. Model identification and validation techniques are key components for this research. This paper presents mathematical model structures and identification techniques that have been used successfully to model more general aerodynamic behaviours in single-degree-of-freedom dynamic testing. Model parameters, characterizing aerodynamic properties, are estimated using linear and nonlinear regression methods in both time and frequency domains. Steps in identification including model structure determination, parameter estimation, and model validation, are addressed in this paper with examples using data from one-degree-of-freedom dynamic wind tunnel and water tunnel experiments. These techniques offer a methodology for expanding the utility of computational methods in application to flight dynamics, stability, and control problems. Since flight test is not always an option for early model validation, time history comparisons are commonly made between computational and experimental results and model adequacy is inferred by corroborating results. An extension is offered to this conventional approach where more general model parameter estimates and their standard errors are compared.

Murphy, Patrick↗

Modeling of Particle Acceleration at Multiple Shocks via Diffusive Shock Acceleration: Preliminary Results

Successful forecasting of energetic particle events in space weather models require algorithms for correctly predicting the spectrum of ions accelerated from a background population of charged particles. We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box. We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (E(sub max)) appropriate for quasi-parallel and quasi-perpendicular shocks and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Parker, L. Neergaard↗

Advances in EDL Flight Mechanics Modeling & Simulation

Flight mechanics modeling and simulation is an area of continuous development. One of the industry-standard simulation tools in the Program to Optimize Spacecraft Trajectories II (POST2) is developed and maintained in-house at Langley Research Center. Recent uses of this tool include assessing GN&C performance of human-scale Lunar and Mars landing systems using generalized low- and medium-fidelity navigation sensor models required for precision landing. This talk will review recent POST2 simulation developments, as well as how current and planned advances in GN&C modeling enable rapid assessment of spacecraft integrated performance.

POST2↗