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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5

In-situ propellant advantages for fast transfer to Mars

The advantages of in situ propellant for a fast transfer to Mars were studied as compared to all earth-based propellants and other options for reduction of total masss in low earth orbit. For a 10-year, 10-mission model and a baseline vehicle taken from the literature, the total reduction in number of earth launches was calculated. The scenario in which the return propellants are transferred to Mars on a slow cargo vehicle provides a 29-percent reduction in ALS launches over the baseline scenario in which all propellants are brought directly from earth. The scenarios in which in situ propellants are used for a successively greater portion of the total mission continue to reduce the number of launches required. With Mars propellant used for the Mars ascent vehicle and the return leg of the mission, a 59-percent reduction in launches is obtained. Finally, if the oxygen, or oxygen and fuel, for the outbound leg of the mission is also obtained by in situ production, from the moon for example, then the total reduction in number of earth launches is more than 80 percent.

Galecki, Diane L.↗

Scenario Development Process at the Vertical Motion Simulator

There has been a significant effort within the simulation community to standardize many aspects of flight simulation. More recently, an effort has begun to develop a formal scenario definition language for aviation. A working group within the AIAA Modeling and Simulation Technical Committee has been created to develop a standard aviation scenario definition language, though much of the initial effort has been tailored to training simulators. Research and development (R&D) simulators, like the Vertical Motion Simulator (VMS), and training simulators have different missions and thus have different scenario requirements. The purpose of this paper is to highlight some of the unique tasks and scenario elements used at the VMS so they may be captured by scenario standardization efforts. The VMS most often performs handling qualities studies and transfer of training studies. Three representative handling qualities simulation studies and two transfer of training simulation studies are described in this paper. Unique scenario elements discussed in this paper included special out-the-window (OTW) targets and environmental conditions, motion system parameters, active inceptor parameters, and configurable vehicle math model parameters.

Vertical Motion Simulator↗

Structure-aware graph neural network based deep transfer learning framework for enhanced predictive analytics on diverse materials datasets

Abstract Modern data mining methods have demonstrated effectiveness in comprehending and predicting materials properties. An essential component in the process of materials discovery is to know which material(s) will possess desirable properties. For many materials properties, performing experiments and density functional theory computations are costly and time-consuming. Hence, it is challenging to build accurate predictive models for such properties using conventional data mining methods due to the small amount of available data. Here we present a framework for materials property prediction tasks using structure information that leverages graph neural network-based architecture along with deep-transfer-learning techniques to drastically improve the model’s predictive ability on diverse materials (3D/2D, inorganic/organic, computational/experimental) data. We evaluated the proposed framework in cross-property and cross-materials class scenarios using 115 datasets to find that transfer learning models outperform the models trained from scratch in 104 cases, i.e., ≈90%, with additional benefits in performance for extrapolation problems. We believe the proposed framework can be widely useful in accelerating materials discovery in materials science.

Chemistry↗

Satellite services system analysis study: Propellant transfer system

General servicing requirements, a servicing mission concept and scenario, overall servicing needs, basic servicing equipment, and a general servicing mission configuration layout are addressed. Servicing needs, equipment concepts, system requirements equipment specifications, preliminary designs, and resource requirements for flight hardware for the propellant transfer system are also addressed.

Source record↗

A Hybrid Domain Overlapping Method for Coupling System Thermal Hydraulics and CFD Codes

A hybrid multiscale coupling methodology based on a domain overlapping approach has been developed for coupling System Thermal Hydraulics (STH) and Computational Fluid Dynamics (CFD) codes. The method has been implemented between the modern STH code SAM and the CFD code NekRS, using the coupling tool Cardinal. The coupling aims to extend the STH code's applicability to scenarios where local momentum and energy transfers are important yet difficult for STH codes to capture, such as three-dimensional mixing. Two coupling strategies are implemented and compared: a hybrid domain overlapping method and the conventional domain decomposition method. Here, the strategies are applied to two closed-loop applications, and the present method shows superior stability behavior when compared to the domain decomposition method. Then, the present coupling method is validated against experimental data from a double T-junction experiment. The present STH/CFD coupling shows improved agreement with experimental data when compared to STH standalone simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Validation of a Hybrid Domain Overlapping Coupling Between SAM and CFD Against the TALL-3D Transients

The System Thermal Hydraulics (STH) code SAM has been coupled to the Computational Fluid Dynamics (CFD) code Simcenter STAR-CCM+ utilizing a hybrid domain overlapping method with an explicit coupling in time. The coupling aims to extend the STH code’s applicability to scenarios where local momentum and energy transfers are important yet difficult for STH codes to capture, such as three-dimensional (3D) mixing. The coupling method’s numerical stability was verified in the past against two closed-loop configurations, and it was validated against a double T-junction experiment with 3D scalar mixing. In the present work, the coupling method is validated against the TALL-3D STH/CFD coupling benchmark facility. TALL-3D is a three-legged, liquid-metal facility with a large, pool-type enclosure (test section) that exhibits 3D flow effects to be modeled by a CFD code. The rest of the system exhibits approximately 1D behavior well-predicted by an STH code. First, the present STAR-CCM+ CFD model of the 3D test section is validated against experimental data. Then, the SAM-STARCCM+ coupled model is validated against six different TALL-3D steady states, including SAM standalone model results for comparison. Lastly, the SAM-STARCCM+ coupled model is validated against two TALL-3D transients, one exhibiting flow reversal in the test section and one exhibiting nonlinear, Limit Cycle Oscillations (LCO). For the first transient, the SAM-STARCCM+ coupled model properly predicts an increase in the test section’s inlet temperature during flow reversal, and this is not predicted by the SAM standalone model. Following flow reversal, the SAM-STARCCM+ coupled model better-predicts the initial flow recovery and following oscillations as the system approaches a final natural circulation state. For the second transient, no true final steady state is observed due to LCO. Neither the SAM-STARCCM+ coupled model nor the SAM standalone model can perfectly capture the experiment’s changing oscillation frequency during the transient. However, the SAM-STARCCM+ coupled model does reproduce the oscillatory feedback observed in the system. This is a significant achievement as the SAM-STARCCM+ coupled model only uses an explicit coupling in time, as opposed to a semi-implicit coupling. In comparison, previous STH/CFD coupling efforts of the TALL-3D facility required semi-implicit coupling to obtain similar results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Expanded Accident Scenarios and Frequency Characteristics for a Fast Spectrum Molten Salt Reactor in an Integrated Energy System

Integration of advanced nuclear reactors to industrial processes in an integrated energy system (IES) has many potential advantages. The coupling of nuclear power to varied industrial processes introduces additional accident scenarios unique to the specific systems included in the IES. Similarly, noise in one system of the IES could potentially create negative effects in the other systems. Because of the limited amount of comparable nuclear IES operating experience, there is added value in scoping the inherent behavior of these systems in response to these transients. Here, this paper investigates the safety-related behavior of an open-source IES dynamic model of a fast spectrum molten salt reactor (MSR) powering a regenerative Rankine cycle for electricity production and a hybrid sulfur (HyS) cycle for hydrogen production. The simulations include a loss of cooling water to the Rankine cycle, a loss of sulfur in the HyS cycle, and the frequency characteristics of the entire IES across six orders of magnitude of frequency. The results show safe behavior in response to the two accident scenarios, wherein a disruption in heat transfer leads to increased salt temperatures and a decrease in reactor power. The frequency analysis shows that at higher frequencies, temperature changes propagating through an IES are increasingly damped to the point of negligibility.

Dunkle, Nicholas [Univ. of Tennessee, Knoxville, T↗

Magnetic order driven ultrafast phase transition in NdNiO 3

Ultrashort x-ray pulses can be used to disentangle magnetic and structural dynamics and are accordingly utilized here to study the photoexcitation of NdNiO 3 (NNO), a model nickelate exhibiting structural and magnetic dynamics that conspire to induce an insulator-to-metal transition (IMT). Here, during the course of the photoinduced IMT with above-gap excitation, we observe an ultrafast (< 180 fs) quenching of magnetic order followed by a time delayed collapse of the insulating phase probed by x-ray absorption and THz transmission (450 fs) that correlates with the slowest optical phonon mode involved in the structural transition. A simultaneous order-disorder response at the Ni site and displacive response at the Nd site coexist in the ultrafast magnetic response. Crucially, we observe the optical phonon through its coherent coupling with Nd magnetic order, demonstrating that the magnetic and structural degrees of freedom both contribute in driving the IMT. Density functional theory calculations reveal a consistent scenario where optically driven intersite charge transfer drives a collapse of antiferromagnetic order that in turn destabilizes the charge-ordered phase resulting in an IMT. These experiments provide different modalities for the control of electronic phase transitions in quantum materials based on the ultrafast interplay between structural and magnetic orders created by femtosecond photoexcitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Space transportation options for the Space Exploration Initiative

The candidate architectures of space transportation vehicles designed for the Space Exploration Initiative are discussed together with the launch systems concepts. Special attention is given to the lunar mission and Mars mission scenarios and the launch- and transfer-vehicle options for Mars and moon missions.

Huber, William G.↗

Electric propulsion for lunar exploration and lunar base development

Using electric propulsion to deliver materials to lunar orbit for the development and construction of a lunar base was investigated. Because the mass of the base and its life-cycle resupply mass are large, high specific impulse propulsion systems may significantly reduce the transportation system mass and cost. Three electric propulsion technologies (arcjet, ion, and magnetoplasmadynamic (MPD) propulsion) were compared with oxygen/hydrogen propulsion for a lunar base development scenario. Detailed estimates of the orbital transfer vehicles' (OTV's) masses and their propellant masses are presented. The fleet sizes for the chemical and electric propulsion systems are estimated. Ion and MPD propulsion systems enable significant launch mass savings over O2/H2 propulsion. Because of the longer trip time required for the low-thrust OTV's, more of them are required to perform the mission model. By offloading the lunar cargo from the manned O2/H2 OTV missions onto the electric propulsion OTV's, a significant reduction of the low Earth orbit (LEO) launch mass is possible over the 19-year base development period.

Palaszewski, Bryan↗

Performance of Goddard Earth Observing System GCM Column Radiation Models under Heterogeneous Cloud Conditions

We test the performance of the shortwave (SW) and longwave (LW) Column Radiation Models (CORAMs) of Chou and collaborators with heterogeneous cloud fields from a global single-day dataset produced by NCAR's Community Atmospheric Model with a 2-D CRM installed in each gridbox. The original SW version of the CORAM performs quite well compared to reference Independent Column Approximation (ICA) calculations for boundary fluxes, largely due to the success of a combined overlap and cloud scaling parameterization scheme. The absolute magnitude of errors relative to ICA are even smaller for the LW CORAM which applies similar overlap. The vertical distribution of heating and cooling within the atmosphere is also simulated quite well with daily-averaged zonal errors always below 0.3 K/d for SW heating rates and 0.6 K/d for LW cooling rates. The SW CORAM's performance improves by introducing a scheme that accounts for cloud inhomogeneity. These results suggest that previous studies demonstrating the inaccuracy of plane-parallel models may have unfairly focused on worst scenario cases, and that current radiative transfer algorithms of General Circulation Models (GCMs) may be more capable than previously thought in estimating realistic spatial and temporal averages of radiative fluxes, as long as they are provided with correct mean cloud profiles. However, even if the errors of the particular CORAMs are small, they seem to be systematic, and the impact of the biases can be fully assessed only with GCM climate simulations.

Oreopoulos, L.↗

Orbit Determination Error Analysis Results for the Triana Sun-Earth L2 Libration Point Mission

Using the NASA Goddard Space Flight Center's Orbit Determination Error Analysis System (ODEAS), orbit determination error analysis results are presented for all phases of the Triana Sun-Earth L1 libration point mission and for the science data collection phase of a future Sun-Earth L2 libration point mission. The Triana spacecraft was nominally to be released by the Space Shuttle in a low Earth orbit, and this analysis focuses on that scenario. From the release orbit a transfer trajectory insertion (TTI) maneuver performed using a solid stage would increase the velocity be approximately 3.1 km/sec sending Triana on a direct trajectory to its mission orbit. The Triana mission orbit is a Sun-Earth L1 Lissajous orbit with a Sun-Earth-vehicle (SEV) angle between 4.0 and 15.0 degrees, which would be achieved after a Lissajous orbit insertion (LOI) maneuver at approximately launch plus 6 months. Because Triana was to be launched by the Space Shuttle, TTI could potentially occur over a 16 orbit range from low Earth orbit. This analysis was performed assuming TTI was performed from a low Earth orbit with an inclination of 28.5 degrees and assuming support from a combination of three Deep Space Network (DSN) stations, Goldstone, Canberra, and Madrid and four commercial Universal Space Network (USN) stations, Alaska, Hawaii, Perth, and Santiago. These ground stations would provide coherent two-way range and range rate tracking data usable for orbit determination. Larger range and range rate errors were assumed for the USN stations. Nominally, DSN support would end at TTI+144 hours assuming there were no USN problems. Post-TTI coverage for a range of TTI longitudes for a given nominal trajectory case were analyzed. The orbit determination error analysis after the first correction maneuver would be generally applicable to any libration point mission utilizing a direct trajectory.

Marr, G.↗

Defining optimal point-to-point transfer surfaces for orbital path-constrained rendezvous

Many scenarios for future orbital operations involve maneuvering in proximity to such large space structures as the Space Station Freedom; in most cases, the accidental contact of a vehicle with such a structure will be dangerous and must be avoided. Classical rendezvous targeting is inadequate for this purpose, because it recognizes no restraint on the path between the point of departure and the desired point of arrival. A computer program has been devised to minimize this susceptibility. Surfaces are found to exist whose penalty is less than that of a sphere, though not markedly less.

Soileau, Kerry M.↗

Calculation of Critical Heat Flux Using an Inverse Heat Transfer Method to Support TREAT Experiment Analysis

Heat transfer between cladding and coolant during transient scenarios remains a critical area of uncertainty in understanding nuclear reactor safety. To advance the understanding of transient and accident scenarios involving critical heat flux (CHF), an in-pile experiment for the Transient Reactor Test (TREAT) facility at Idaho National Laboratory was developed. The experiment named CHF-Static Environment Rodlet Transient Test Apparatus (CHF-SERTTA), consists of a hollow borated stainless steel heater rod submerged in a static water pool which is heated via the (n, a) reaction in boron-10. This paper presents a novel inverse heat transfer method to determine CHF by using the optimization and uncertainty software DAKOTA to calibrate a RELAP5-3D model of CHF-SERTTA to temperature measurements obtained from a thermocouple welded to the surface of the rod.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Modeling Molten Salt Spreading and Heat Transfer using MELTSPREAD – Model Development Updates

This report summarizes spreading and heat transfer results calculated using MELTSPREAD for a scenario of molten FLiNaK spilling onto a flat stainless steel substrate that was inspired by the “maximum credible accident” scenario of the Molten Salt Reactor Experiment (MSRE). MELTSPREAD was developed at Argonne to model the one-dimensional flowing and freezing of molten corium and was applied to model molten salts for the first time during FY21. The molten salt MELTSPREAD model that was developed during FY21 was updated as part of this work using a corrected heat of fusion value of FLiNaK and to accommodate a larger salt spill volume. The model was run with and without the inclusion of contributions from decay heat and a sensitivity analysis of initial spill conditions was performed to determine the importance of those factors on model outcome. The results provide insight into the expected spreading and heat transfer behavior of simulated and irradiated fuel salt that has been spilled and indicate aspects of the model to be revised in future versions of the MELTSPREAD model for applications to molten salt.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Foundation models for atomistic simulation of chemistry and materials

Conventional computational methods for modeling chemical and materials systems are limited by system size and timescale, forcing a trade-off between quantum-mechanical accuracy and the sampling needed for realistic observables. Large language and vision foundation models — pre-trained on massive datasets using transformer architectures — have revolutionized many fields. It is thus interesting to ask whether a foundation model — subject to suitable data, parameter scaling and training — could enable learned simulations of chemistry and materials. Here, in this study, we review the field of machine-learned interatomic potentials (MLIPs) and posit that scaling up large and diverse chemical and materials datasets and highly expressive architectures using advanced training strategies should result in models that are: more efficient, transferable, robust to out-of-distribution scenarios, and easier to fine-tune to a variety of downstream physical observables than models trained from scratch on small datasets corresponding to specific, targeted atomistic simulation tasks. We provide specific criteria for creating such large-scale MLIP foundation models, coordinated strategies for their development, evaluation and deployment, and highlight potential emergent capabilities that could transform predictive simulations in chemistry and materials science and accelerate discovery across multiple technological domains.

Yuan, Eric C.-Y. [University of California, Berkel↗