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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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241 records · Page 14

Reusable TPS Materials Development Activities at NASA Ames

Recent developments in low-cost access to low-earth orbit (LEO) and hypersonic flight are driving renewed demand in reusable thermal protection systems (RTPS) that have not had broad application since the Space Shuttle era. Modern systems will need to consider full cycle cost (lower cost raw materials, manufacturing, integration, and refurbishment) in addition to improved performance to enable this new generation of space flight. NASA Ames Research Center (ARC) has a long history of RTPS development including modern state-of-the-art materials like Alumina Enhanced Thermal Barrier (AETB), and multi-component systems like Toughened Uni-piece Fibrous Reinforced Oxidation-resistant Composite (TUFROC). Now, ARC is supporting the growing commercial space field through internal research and development efforts for high-risk low TRL materials and collaboration with commercial partners including technology transfer. This talk will discuss the current development efforts at ARC that span updating legacy insulating systems with modern raw materials and processes to totally novel designs for heat pipes with various low-TRL activities in between. It will also discuss Ames’ recent re-investment in experimental capabilities to enable characterization and material testing.

Adam Caldwell↗

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗

Elucidating the Radiation-Induced Redox Chemistry of Plutonium Under Used Nuclear Fuel Reprocessing Conditions

Plutonium plays a critical role in the development of sustainable nuclear fuel cycles, and yet, our fundamental understanding of this element’s inherent radiation-induced redox chemistry and associated impacts on nuclear fuel cycle technologies is limited. Unanticipated changes in oxidation state distribution can influence the speciation and transport of plutonium in a given process. Control of these parameters is especially important for used nuclear fuel reprocessing technologies, wherein the separation and recovery of plutonium is typically achieved by the selective formation, maintenance, and complexation of specific oxidation states. Furthermore, plutonium’s inherent radiation-induced redox chemistry has the capacity to influence the radiolytic behavior of its complexes, the longevity of which are critical in the design of efficient and cost-effective advanced reprocessing technologies. These radiation-induced processes are unavoidable under fuel cycle conditions owing to the inherency of ionizing radiation fields to the decay of plutonium’s isotopes and to the various other radioisotopes generated by nuclear fission and neutron-capture process and the subsequent radioactive decay of their products. As such, mechanistically understanding the response of plutonium’s multiple oxidation states to multi-component ionizing radiation fields is essential for predicting the behavior of this critical element under used nuclear fuel reprocessing conditions. Here, through a combination of time-resolved (electron pulse) and steady-state (alpha and gamma) irradiation experiments complemented by quantitative, multiscale modeling calculations, we present advances in our understanding of radiation-induced plutonium redox chemistry!

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characterizing the GD-1 Stream with DESI DR2 Data: Thin Stream and Hot Cocoon

GD-1 is among the longest, coldest stellar streams in the Milky Way, making it an ideal target for probing dark matter substructure through dynamical heating. We present a catalog of 608 spectroscopically confirmed GD-1 members from the first three years of Dark Energy Spectroscopic Instrument (DESI) observations. This constitutes the largest homogeneous spectroscopic sample of GD-1, doubling the number of members previously available only through heterogeneous compilations combining multiple surveys with different systematics. Using these data, we derive updated stream tracks in sky position, proper motion, and radial velocity that extend over $100^\circ$ of the stream. We apply a Gaussian mixture model to decompose the stream into a dynamically cold thin component ($σ_V = 2.49\pm 0.28$ km s$^{-1}$, width $= 0.23\pm0.01^\circ$) and a kinematically hot cocoon ($σ_V = 6.13\pm0.75$ km s$^{-1}$, width $= 2.18\pm0.17^\circ$). The cocoon contains $\sim30\%$ of members and its velocity dispersion is consistent with $\sim11$ Gyr of heating by cold dark matter subhalos. We also detect a large proper motion dispersion ($41.36\pm4.98$ km s$^{-1}$) along the stream direction in the cocoon component. This feature indicates a significant line-of-sight distance spread in the cocoon, and its origin will be further explored in a forthcoming paper. These measurements demonstrate the power of DESI spectroscopy for characterizing the multi-component phase-space structure of stellar streams and constraining small-scale dark matter substructure.

Jarvis, Emma [Toronto U.] (ORCID:0009000656127336)↗

Accelerated Selectrion of Optimal Perovskite Alloys for Solar PV using a Combined Quantum and Machine Learning Hierachiral Approach

The project aims to: (i) accelerate the discovery of “Missing HP alloys” by combining quantum mechanics and artificial intelligence machine learning approaches, and (ii) analyze the stabilities of candidate alloys, including those that do not pass selection filters (and are thus expected to degrade over time) to decipher the nature of the instabilities to guide the development of durable solar cell materials. Successful candidates will be subjected to validation experiments at NREL's state-of-the-art facilities. The discoveries this effort will provide will be directly testable and implementable and will greatly impact U.S. progress in HP PV as they will provide clear direction and motivation for experimental studies including specific material synthetic targets, device optimization, and device stability protocols. A key advantage of this effort is the feedback and guidance provided by the Industry Collaborative Work Group that we established to coordinate academic and national lab research with industry needs. The proposed work will provide a basis for and direct the development of robust and reliable HP PV. It will also provide a timely, valuable and extensive roadmap to the experimental HP PV community to enable it to focus its efforts on improving and fine-tuning promising HP compositions that this effort predicts will likely be the best performers rather than wandering in the vast chemical space for decades spending enormous resources mostly evaluating unpromising candidate materials.

14 SOLAR ENERGY↗