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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Iron-sulfur clusters: the road to room temperature

Abstract Iron-sulfur proteins perform a wide variety of reactions central to the metabolisms of all living organisms. Foundational to their reaction chemistry are the rich electronic structures of their constituent Fe-S clusters, which differ in important ways from the active sites of mononuclear Fe enzymes. In this perspective, we summarize the essential electronic structure features that make Fe-S clusters unique, and point to the need for studies aimed at understanding the electronic basis for their reactivity under physiological conditions. Specifically, at ambient temperature, both the ground state and a large number of excited states are thermally populated, and thus a complete understanding of Fe-S cluster reactivity must take into account the properties, energies, and reactivity patterns of these excited states. We highlight prior research toward characterizing the low-energy excited states of Fe-S clusters that has established what is now a consensus model of these excited state manifolds and the bonding interactions that give rise to them. In particular, we discuss the low-energy alternate spin states and valence electron configurations that occur in Fe-S clusters of varying nuclearities, and finally suggest that there may be unrecognized functional roles for these states. Graphical abstract

Skeel, Brighton A. (ORCID:000000018458088X)↗
DOE OSTI2022

Dry in-pile fracture test (DRIFT) for separate-effects validation of ceramic fuel fracture models

Fracture is an important component of nuclear fuel behavior, and significant efforts have been invested into developing fuel performance models that are capable of accurately representing fracture. Usable data on the process of fracture propagation in nuclear fuel under realistic service conditions are very limited. To address this need, a series of separate-effects experiments were developed and performed at Idaho National Laboratory's Transient Reactor Test (TREAT) facility. These experiments employ a heat sink to radially remove heat from the fuel in a manner that approximates the effect of coolant in an operating light-water reactor (LWR). The test holder for these experiments is known as the Dry In-pile Fracture Test (DRIFT). A series of experiments employing DRIFT and TREAT were performed to provide data on the extent and nature of fracture in fresh fuel at various points during a ramp to full power. Novel aspects of these experiments include the way they employ a heat sink to replicate steady-state LWR conditions, as well as the use of fiber optic sensors for in-reactor thermal instrumentation. Details on the development of this experiment, experimental conditions, and resulting data (including in situ thermal measurements and post-irradiation imaging of fracture) are provided in this work. LWR-equivalent powers ranging from 10 to 25 kW/m were tested using this apparatus. Cracking was visible at all power levels, with increasing cracking extent as the power level increased, although there was little difference in the cracking between the two highest-power tests, which had LWR-equivalent powers of 20 and 25 kW/m.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Simulation of the High Temperature Test Facility (HTTF) Core Using the 2D Ring Model with SAM

A two-dimensional ring model is developed with SAM to model the core of the High Temperature Test Facility (HTTF) at the system level. The ring model simplifies the complex structure of the HTTF core by converting the hexagonal rows of heaters and flow channels into layers of concentric annular rings. The ring model is first compared against a 3D-1D model where the solid structures are fully resolved in three dimensions while the fluid structures are modeled as one-dimensional flows. Comparison between the 3D-1D and the ring models shows that the latter can predict major parameters reasonably well under steady-state normal operating condition, but the heater temperatures are underpredicted. Adjustment is made to the effective thermal conductivity of the ceramic core of the ring model to improve the heater temperature predictions. Furthermore, the ring model is also used to simulate a transient Pressurized Conduction Cooldown (PCC) condition and is benchmarked with the experimental data from the HTTF Test PG-27. Good agreement is obtained between the experimental data and the predictions by the ring model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1975

The effect of thermal exposure on the mechanical properties of aluminum-graphite composites

The mechanical properties of aluminum-graphite composites were measured at room temperature in the as-received condition, after elevated temperature exposure and after thermal cycling. The composites were fabricated by solid-state diffusion bonding of liquid-phase Al-infiltrated Thornel 50 fibers. The results showed that the maximum longitudinal tensile strength of the as-received material was 80,000 psi, which corresponds well with the rule of mixture value. The composite strength was observed to vary widely, depending on the extent of wetting of the fibers by the aluminum. The strength of the composites in the transverse direction was generally very low, due to poor interfacial bonding. Aluminum carbide (Al4C3) formed at the surface of the fibers at temperatures greater than 500 C. Development of the carbide was shown to be diffusion-controlled and was dependent on the time and temperature used. It was shown that the tensile strength was virtually unaffected by heat-treatment up to 500 C; beyond that temperature a drastic degradation of tensile strength occurred. Thermal cycling of the composites below 500 C resulted in an observable degradation of the composite strength.

Khan, I. H.↗
NASA NTRS2003

Hot Films on Ceramic Substrates for Measuring Skin Friction

Hot-film sensors, consisting of a metallic film on an electrically nonconductive substrate, have been used to measure skin friction as far back as 1931. A hot film is maintained at an elevated temperature relative to the local flow by passing an electrical current through it. The power required to maintain the specified temperature depends on the rate at which heat is transferred to the flow. The heat transfer rate correlates to the velocity gradient at the surface, and hence, with skin friction. The hot-film skin friction measurement method is most thoroughly developed for steady-state conditions, but additional issues arise under transient conditions. Fabricating hot-film substrates using low-thermal-conductivity ceramics can offer advantages over traditional quartz or polyester-film substrates. First, a low conductivity substrate increases the fraction of heat convected away by the fluid, thus increasing sensitivity to changes in flow conditions. Furthermore, the two-part, composite nature of the substrate allows the installation of thermocouple junctions just below the hot film, which can provide an estimate of the conduction heat loss.

Noffz, Greg↗
NASA NTRS1986

Fluctuation and rotation in diffusion-influenced monomolecular reactions

Models of partially absorbing boundaries for calculating diffusion-influenced chemical reactions are examined analytically. The limitations of diffusion-equation and random-walk models are indicated; the presence of an ambiguous length parameter in a standard radiation-boundary-condition (RBC) model is demonstrated; the RBC model for a boundary with oscillation (at a rate much faster than the rate of thermal collisions) between absorbing and nonabsorbing states is considered; an alternative stochastically switching absorber (SSA) model is introduced and shown to be physically consistent; the equivalence of one-dimensional RBC and SSA models under some conditions is shown; one time passage is calculated for an axially symmetric three-dimensional SSA model with anisotropic absorption; and the analogy between rotation and stochastic switching is explored.

Bashford, Donald↗
DOE OSTI2026

Analysis of Molten Salt Thermal Energy Storage Tank Sizing and Preheating

Molten Salt Thermal energy storage (TES) is essential for concentrating solar power (CSP) plants, enhancing their capacity factor and dispatchability to ultimately reduce electricity costs. This technology is becoming more important for other technologies including nuclear power, thermal-electrical storage, and concentrating solar thermal (CST). While molten salt TES tanks have been successfully deployed in lower-temperature parabolic-trough plants, the current state-of-the-art central receiver systems operating at temperatures up to 565 degrees Celsius have experienced costly and frequent failures. These failures are associated with the immaturity of the technology and problems in tank design, fabrication, commissioning and, sometimes, aggressive operation. A primary contributing factor is the absence of a dedicated technical standard for high-temperature molten nitrate TES tanks; designers must currently rely on existing codes like API 650 and ASME Section II, which are insufficient because they fail to account for the unique demands of high temperatures, thermal cycling, and transient conditions.

25 ENERGY STORAGE↗
DOE OSTI2020

Luminescence Quenching via Deep Defect States: A Recombination Pathway via Oxygen Vacancies in Ce-Doped YAG

Luminescence quenching via nonradiative recombination channels limits the efficiency of optical materials such as phosphors and scintillators and therefore has implications for conversion efficiency and device lifetimes. In materials such as Ce-doped yttrium aluminum garnet (YAG:Ce), quenching shows strong dependence on both temperature and activator concentration, limiting the fabrication of high-intensity white-light emitting diodes with high operating temperatures. Here, we reveal by means of first-principles calculations an efficient recombination mechanism in YAG:Ce that involves oxygen vacancies and gives rise to thermally activated concentration quenching. We demonstrate that the key requirements for this mechanism to be active are localized states with strong electron-phonon coupling. These conditions are commonly found for intrinsic defects such as anion vacancies in wide band gap materials. The present findings are therefore relevant to a broad class of optical materials and shine light on thermal quenching mechanisms in general.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Predicted Heat Flux Performance of Actively Cooled Tungsten-Armored Graphitic Foam Monoblocks

Tungsten (W)–armored graphitic foam monoblocks were developed for applications requiring high-Z plasma-facing material in long-pulse fusion experiments and ultimately deuterium-tritium fusion reactors. The monoblocks are an integrated material system combining the advantages of a chemical vapor deposited (CVD) W coating with a high-conductivity graphitic foam. The W is a high-melting-point, high-Z material with low tritium retention. The graphitic foam coupled to a swirl tube serves as a high-thermal-conductivity heat sink that cannot melt, although it can sublime at much higher temperatures than copper melts. Together, they comprise a robust plasma-facing component (PFC) weighing roughly 5% of an all-W component or 17% of a traditional W-coated copper heat sink.A single-channel mock-up consisting of four graphitic foam monoblocks equipped with a water-cooled swirl tube was fabricated for eventual testing in the 60-kW, EB-60, rastered electron beam at the Applied Research Laboratory of The Pennsylvania State University. Two monoblocks have a thin 50-μm-thick coating of pure W chemically vapor deposited over NbC and pure Nb interlayers. Two others have a 2-mm-thick pure W coating CVD on graphitic monoblocks using the same interlayers. The mock-up will be cooled with available 10 m/s, 0.7 MPa water with a 22°C inlet temperature and subjected to varying uniform heat loads up to 20 MW/m 2 . It is equipped with type-K thermocouples at various depths, and calibrated infrared thermography and spot pyrometry will be used to characterize the heated surface. Real-time water calorimetry will be used to ascertain the absorbed steady-state power and infer the heat flux during testing. Since testing cannot be done under prototypic divertor flow conditions, it is necessary to predict the thermal response of this novel PFC system and investigate the power sharing between radiation and convection at divertor heat flux levels and its inherent ability to avoid critical heat flux. Results are reported for predictions obtained from computational fluid dynamics models up to 30 MW/m 2 of steady-state uniform heat flux. Leading-edge heat loads of 30 MW/m 2 on a 2-mm-wide side strip were also investigated to ascertain if coating delamination is likely.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Multi-physics Preconditioning for Thermally Activated Batteries

Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on multiphysics modeling to evaluate performance and behavior under various conditions. This paper presents advancements in scalable preconditioning strategies for the Thermally Activated Battery Simulator (TABS) tool, enabling efficient solutions to the coupled electrochemical systems that dominate computational costs in thermal battery simulations. We propose a hierarchical block Gauss-Seidel preconditioner implemented through the Teko package in Trilinos, which effectively addresses the challenges posed by tightly coupled physics, including charge transport, porous flow, and species diffusion. The preconditioner leverages scalable subblock solvers, including smoothed aggregation algebraic multigrid (SA-AMG) methods and domain-decomposition techniques, to achieve robust convergence and parallel scalability. Strong and weak scaling studies demonstrate the solver’s ability to handle problem sizes up to 51.3 million degrees of freedom on 2048 processors, achieving near sub-second setup and solve times for the end-to-end electrochemical solve. These advancements significantly improve the computational efficiency and turnaround time of thermal battery simulations, paving the way for higher-resolution models and enabling the transition from 2D axisymmetric to full 3D simulations.

25 ENERGY STORAGE↗
NASA NTRS2012

Bayesian Framework Approach for Prognostic Studies in Electrolytic Capacitor under Thermal Overstress Conditions

Electrolytic capacitors are used in several applications ranging from power supplies for safety critical avionics equipment to power drivers for electro-mechanical actuator. Past experiences show that capacitors tend to degrade and fail faster when subjected to high electrical or thermal stress conditions during operations. This makes them good candidates for prognostics and health management. Model-based prognostics captures system knowledge in the form of physics-based models of components in order to obtain accurate predictions of end of life based on their current state of heal th and their anticipated future use and operational conditions. The focus of this paper is on deriving first principles degradation models for thermal stress conditions and implementing Bayesian framework for making remaining useful life predictions. Data collected from simultaneous experiments are used to validate the models. Our overall goal is to derive accurate models of capacitor degradation, and use them to remaining useful life in DC-DC converters.

Kulkarni, Chetan S.↗
DOE OSTI2026

Compression behavior of lithium fluoride up to 80 GPa and 2300 K

Here, the high-temperature compression behavior of lithium fluoride (LiF) has been determined to ∼80 GPa and 2300 K by means of high-resolution synchrotron-based x-ray diffraction in a laser-heated diamond-anvil cell. The room-temperature Vinet equation of state (EOS) for LiF yields an isothermal room-temperature, ambient-pressure lattice parameter a 0 = 4.028 (±0.003) Å, volume V 0 = 65.35 (±0.03) Å 3 , bulk modulus K 0 = 67.57 (±0.34) GPa, and its pressure derivative K 0 ’ = 4.64 (±0.03). This expanded experimental dataset is in good agreement with the LiF thermal equation of state by Myint et al. (2019) up to ∼2300 K and 25 GPa. At higher pressures and temperatures our data shows reduced thermal expansion compared to the prediction and may be particularly important for experiments at more extreme conditions.

High-pressure behavior↗
DOE OSTI2020

Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling

Metallic cluster catalysts have many thermodynamically accessible isomers with diverse active sites and low reaction barriers, and lately a strong hypothesis emerged that the many catalyst states collectively drive the catalysis. Furthermore, it remained a hypothesis that catalyst isomerization is actually kinetically feasible under the current reaction conditions. Using high-temperature dynamics simulations and sampling, a range of orientations, and vibrational energy distributions, we probe how thermal effects and molecular events affect cluster catalyst dynamics. We show that even such a delicate affair as the dissociation or scattering of a methane molecule on the heavy and thus slow Pt 13 cluster triggers substantial isomerization of the catalyst, far beyond thermal at 700 K. A kinetic coupling between the methane activity and cluster catalyst dynamics is observed. In return, the thermal dynamics of the cluster affects the methane reaction and scattering probabilities. Hence, molecular events at the surfaces of fluxional cluster catalysts should facilitate the population of an ensemble of catalyst states under the current reaction conditions, with implications for available active sites, reaction mechanisms, and apparent rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Towards High-Speed friction stir welding of 25 mm Thick AA2139-T8: tool innovation and process development

Joining thick plates (≥ 12 mm) of aluminum (Al) alloys is challenging due to high tool forces, uneven material flow, and non-uniform heat distribution through the material’s thickness. Recent advancements in tool design and welding parameters for friction stir welding (FSW) in thick plates butt joining have encountered a developmental plateau, highlighting the need for innovative approaches to overcome existing limitations. Here, this study focuses on the systematic development of single-pass and double-pass FSW processes for high-strength aluminum alloy AA2139-T8, to improve joint efficiency and enable high-speed welding capabilities. Experimental evidence is presented for a novel tool design with opposing pin threads, enabling high-speed (178 mm/min) single-pass friction stir butt welding of 25 mm thick AA2139-T8. A series of FSW trials was conducted both in air and with a trailing water spray, using steel backing plates (BPs) to investigate the impact of quenching and cooling rates on process response and joint performance. A joint efficiency of 83% was attained using the novel tool features and effectively controlling process forces and thermal boundary conditions.

AA2139-T8↗
DOE OSTI2024

Evidence of non-isentropic release from high residual temperatures in shocked metals measured with ultrafast x-ray diffraction

Shock experiments are widely used to understand the mechanical and electronic properties of matter under extreme conditions. However, after shock loading to a Hugoniot state, a clear description of the post-shock thermal state and its impacts on materials is still lacking. We used diffraction patterns from 100-fs x-ray pulses to investigate the temperature evolution of laser-shocked Al–Zr metal film composites at time delays ranging from 5 to 75 ns driven by a 120-ps short-pulse laser. We found significant heating of both Al and Zr after shock release, which can be attributed to heat generated by inelastic deformation. A conventional hydrodynamic model that employs (i) typical descriptions of Al and Zr mechanical strength and (ii) elevated strength responses (which might be attributed to an unknown strain rate dependence) did not fully account for the measured temperature increase, which suggests that other strength-related mechanisms (such as fine-scale void growth) could play an important role in thermal responses under shock wave loading/unloading cycles. Our results suggest that a significant portion of the total shock energy delivered by lasers becomes heat due to defect-facilitated plastic work, leaving less converted to kinetic energy. This heating effect may be common in laser-shocked experiments but has not been well acknowledged. High post-shock temperatures may induce phase transformation of materials during shock release. Another implication for the study is the preservability of magnetic records from planetary surfaces that have a shock history from frequent impact events.

42 ENGINEERING↗
NASA NTRS1983

Design analysis of Rayleigh-step floating-ring seals

The analysis and design of a 50-mm diameter floating-ring helium buffer seal are described. The seal rings incorporated Rayleigh-step lift pads to provide hydrodynamic forces to separate the rings from the shaft. Maximum surface speed is 183 m/s (600 fps) and maximum buffer gas pressure is 1389 kPa (200 psia). An operating range map was computed as a function of speed and pressure. Contradictory problems arise due to excessive friction preventing ring tracking at low-speed, high-pressure conditions and insufficent friction to retard inertia driven motions at high-speed, low-pressure conditions. Steady-state and dynamic analyses and performance are described, as well as the results of thermal studies.

Artiles, A.↗
NASA NTRS2006

Experimental Validation of a Closed Brayton Cycle System Transient Simulation

The Brayton Power Conversion Unit (BPCU) located at NASA Glenn Research Center (GRC) in Cleveland, Ohio was used to validate the results of a computational code known as Closed Cycle System Simulation (CCSS). Conversion system thermal transient behavior was the focus of this validation. The BPCU was operated at various steady state points and then subjected to transient changes involving shaft rotational speed and thermal energy input. These conditions were then duplicated in CCSS. Validation of the CCSS BPCU model provides confidence in developing future Brayton power system performance predictions, and helps to guide high power Brayton technology development.

Johnson, Paul K.↗