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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Improved first-principles equation-of-state table of deuterium for high-energy-density applications

Here, we present a first-principles equation-of-state (EOS) table of deuterium aimed at improving the previously established first-principles equation-of-state table (FPEOS). The EOS table presented here, referred to as iFPEOS, introduces (1) a universal density functional theory (DFT) treatment of all density and temperature conditions, (2) a fully consistent treatment of exchange-correlation (XC) thermal effects across the entire range of temperatures covered, and (3) quantum treatment of ions. Based on ab initio molecular dynamics driven by thermal density functional theory, iFPEOS includes density points in the range 1×10 –3 $\leqslant$ ρ $\leqslant$ 1.6×10 3 g/cm 3 and temperature points in the range 800 K $\leqslant$ T $\leqslant$ 256 MK, thus covering the challenging warm dense matter (WDM) regime. For an improved description of the electronic structure, iFPEOS employs an advanced free-energy XC density functional with explicit temperature dependence, which is at the metageneralized gradient approximation level of DFT. We use the latest orbital-free free-energy density functional for the high-temperature regime where it shows excellent agreement with standard Mermin-Kohn-Sham DFT. For quantum treatment of ions we use path-integral molecular dynamics in order to take into account nuclear quantum effects. Results are compared to other EOS models and most recent experimental measurements of deuterium properties such as the molecular-toatomic fluid transition, the principal and reshock Hugoniot, and sound speed. We find that iFPEOS provides an improved agreement with experimental data compared to other first-principles EOS models in the WDM regime for pressures up to 200 GPa and temperatures up to 60 000 K. For higher pressures and temperatures, however, iFPEOS is in agreement with other models in predicting lower compressibility and higher sound speed along the Hugoniot, compared to experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

High-Fidelity Modeling of Fuel-To-Coolant Thermomechanical Transport Behaviors Under Transient Conditions

This report summarizes the work completed under NEUP project number 21-24006. The objectives of this project are to advance the high-fidelity modeling capabilities and important phenomena that is important for high-burnup UO 2 and accident tolerant fuels (ATF) during transient conditions. Accurate modeling of the time-dependent phenomena that impact material performance must be used to determine the figures of merit and safety margin. Phenomena such as fuel fragmentation, cladding oxidation, pellet-clad interaction, clad ballooning, and clad rupture are examples that pose challenges to modeling during these transients. This project focused on the development of high-fidelity tightly coupled multiphysics models that can capture the time-dependent material response and associated thermal hydraulic conditions during these events. These models can then be validated against existing separate effects tests and in-pile integral experiments and will be used to model Transient Reactor Test facility (TREAT) loss-of-coolant accidents (LOCA) experiments. To achieve the project objective, we used a combination of NEAMS and NRC codes to model various LOCA test sets for the separate effects and in-pile integral experiments. BlueCRAB tool set, which can accurately predict material response at a sub-fuel pin level, as well as modeling the entire reactor system response to these events. Fuel performance was modeled using BISON (various versions) and FAST (version 1.2.1). BISON and FAST can model on a sub-fuel pin level the fuel performance under transient conditions. Both have simplified thermal hydraulic models that are capable of providing basic coolant boundary conditions. To better capture the thermomechanical interaction between the fuel, clad, and coolant, more sophisticated thermal hydraulic models are necessary.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Infinite temperature at zero energy

We construct a family of static, geometrically local Hamiltonians that inherit eigenstate properties of periodically-driven (Floquet) systems. Our construction is a variation of the Feynman-Kitaev clock -- a well-known mapping between quantum circuits and local Hamiltonians -- where the clock register is given periodic boundary conditions. Assuming the eigenstate thermalization hypothesis (ETH) holds for the input circuit, our construction yields Hamiltonians whose eigenstates have properties characteristic of infinite temperature, like volume-law entanglement entropy, across the whole spectrum -- including the ground state. We then construct a family of exactly solvable Floquet quantum circuits whose eigenstates are shown to obey the ETH at infinite temperature. Combining the two constructions yields a new family of local Hamiltonians with provably volume-law-entangled ground states, and the first such construction where the volume law holds for all contiguous subsystems.

FOS: Physical sciences↗
NASA NTRS2008

Effect of Upper-Cycle Temperature on the Load-Biased, Strain-Temperature Response of NiTi

Over the past decade, interest in shape memory alloy based actuators has increased as the primary benefits of these solid-state devices have become more apparent. However, much is still unknown about the characteristic behavior of these materials when used in actuator applications. Recently we have shown that the maximum temperature reached during thermal cycling under isobaric conditions could significantly affect the observed mechanical response of NiTi (55 wt% Ni), especially the amount of transformation strain available for actuation and thus work output. This investigation extends that original work to ascertain whether further increases in the upper-cycle temperature would produce additional improvement in the work output of the material, which has a stress-free Af of 113 oC, and to determine the optimum cyclic conditions. Thus, isobaric, thermal-cycle experiments were conducted in the aforementioned alloy at various stress levels from 50-300 MPa using upper-cycle temperatures of 165, 200, 230, 260, 290, 320 and 350 oC. The data indicated that the amount of applied stress influenced the transformation strain available in the system, as would be expected. However, the maximum temperature reached during the thermal excursion also plays a role in determining the transformation strain, with the maximum transformation strain being developed by thermal cycling to 290 oC. In situ, neutron diffraction showed that the differences in transformation strain were related to differences in martensite texture within the microstructure when cycling to different upper-cycle temperatures. Hence, understanding this effect is important to optimizing the operation of SMA-based actuators and could lead to new methods for processing and training shape memory alloys for optimal performance.

Padula, Santo, II↗
NASA NTRS2011

Effect of Upper-Cycle Temperature on the Load-Biased, Strain-Temperature Response of NiTi

Over the past decade, interest in shape memory alloy based actuators has increased as the primary benefits of these solid-state devices have become more apparent. However, much is still unknown about the characteristic behavior of these materials when used in actuator applications. Recently we have shown that the maximum temperature reached during thermal cycling under isobaric conditions could significantly affect the observed mechanical response of NiTi (55 wt% Ni), especially the amount of transformation strain available for actuation and thus work output. The investigation we report here extends that original work to ascertain whether further increases in the upper-cycle temperature would produce additional changes in the work output of the material, which has a stress-free austenite finish temperature of 113 C, and to determine the optimum cyclic conditions. Thus, isobaric, thermal-cycle experiments were conducted on the aforementioned alloy at various stresses from 50-300 MPa using upper-cycle temperatures of 165, 200, 230, 260, 290, 320 and 350 C. The data indicated that the amount of applied stress influenced the transformation strain, as would be expected. However, the maximum temperature reached during the thermal excursion also plays an equally significant role in determining the transformation strain, with the maximum transformation strain observed during thermal cycling to 290 C. In situ neutron diffraction at stress and temperature showed that the differences in transformation strain were mostly related to changes in martensite texture when cycling to different upper-cycle temperatures. Hence, understanding this effect is important to optimizing the operation of SMA-based actuators and could lead to new methods for processing and training shape memory alloys for optimal performance.

Padula, Santo, II↗
NASA NTRS2016

NASA Electric Aircraft Test Bed (NEAT) Development Plan - Design, Fabrication, Installation

As large airline companies compete to reduce emissions, fuel, noise, and maintenance costs, it is expected that more of their aircraft systems will shift from using turbofan propulsion, pneumatic bleed power, and hydraulic actuation, to instead using electrical motor propulsion, generator power, and electrical actuation. This requires new flight-weight and flight-efficient powertrain components, fault tolerant power management, and electromagnetic interference mitigation technologies. Moreover, initial studies indicate some combination of ambient and cryogenic thermal management and relatively high bus voltages when compared to state of practice will be required to achieve a net system benefit. Developing all these powertrain technologies within a realistic aircraft architectural geometry and under realistic operational conditions requires a unique electric aircraft testbed. This report will summarize existing testbed capabilities located in the U.S. and details the development of a unique complementary testbed that industry and government can utilize to further mature electric aircraft technologies.

Hybrid Electric↗
DOE OSTI2025

Further Development of the Tamped Richtmyer-Meshkov Instability Method and Application to Molybdenum Dynamic Strength Calibration and Tabulation

The high pressure and high strain rate dynamic strength of Mo is experimentally and computationally investigated in the 3–20 GPa stress, 50–600 C temperature, and 10 5 –10 6 /s strain rate regimes using a modified tamped Richtmyer-Meshkov instability (RMI) method. Modifications to the tamped RMI method include a method to determine loading states during strain, a new strength calibration function based on interface shape, and a robust uncertainty quantification method. These modifications improve fidelity of the tamped RMI method, allowing evaluation of the compensating effects of pressure hardening, strain rate hardening, strain hardening, and thermal softening. The new calibration function based on interface shape is not limited to sinusoidal corrugations and could be applied to additional interface shapes. Plate impact experiments are performed at Argonne National Laboratory’s Advanced Photon Source’s Dynamic Compression Sector operated by Washington State University (DCS), driving a planar shock front through a corrugated Mo-D 2 O or Mo-C 8 F 18 interface, forcing the corrugation to significantly deform. The extent of interfacial deformation, RMI growth, is experimentally observed using X-ray phase contrast imaging at the DCS. RMI jet lengths and jet shapes are extracted from the experimental radiographs, then used to calibrate numerical simulations performed with the Sandia National Laboratories (SNL) hydrocode CTH. Mo yield strength, Y, as a function of shock pressure, P, strain rate, $\dot{\varepsilon }$, accumulated strain, ϵ, relative volumetric compression, RD , and temperature, T , is determined for each impact experiment and presented. The calibrated Mo yield strength values range 1.2–1.8 GPa, with strength generally decreasing as the impact stress increases. This trend is likely caused by thermal softening or strain localization. The tabular yield strength versus loading condition data presented in this paper can be used to fit complex strength models.

Voorhees, T. J. [Sandia National Lab. (SNL-CA), Li↗
NASA NTRS2005

Implementing Recommendations of the Columbia Accident Investigation Board - Development of on-Orbit RCC Thermography

One of NASA s Space Shuttle Return-to-Flight (RTF) efforts has been to develop thermography for the on-orbit inspection of the Reinforced Carbon Carbon (RCC) portion of the Orbiter Wing Leading Edge (WLE). This paper addresses the capability of thermography to detect cracks in RCC by using in-plane thermal gradients that naturally occur on-orbit. Crack damage, which can result from launch debris impact, is a detection challenge for other on-orbit sensors under consideration for RTF, such as the Intensified Television Camera and Laser Dynamic Range Imager. We studied various cracks in RCC, both natural and simulated, along with material characteristics, such as emissivity uniformity, in steady-state thermography. Severity of crack, such as those likely and unlikely to cause burn through were tested, both in-air and in-vacuum, and the goal of this procedure was to assure crew and vehicle safety during re-entry by identification and quantification of a damage condition while on-orbit. Expected thermal conditions are presented in typical shuttle orbits, and the expected damage signatures for each scenario are presented. Finally, through statistical signal detection, our results show that even at very low in-plane thermal gradients, we are able to detect damage at or below the threshold for fatality in the most critical sections of the WLE, with a confidence exceeding 1 in 10,000 probability of false negative.

Ottens, Brian↗
DOE OSTI2025

Complete Initial Studies in Microstructural Studies of Nuclear Graphite

Nuclear graphite is a critical material for the performance and safety of high-temperature reactors, making its study essential for the successful deployment of next-generation reactors in the United States. During the past year, Oak Ridge National Laboratory (ORNL) has contributed extensively to advancing the understanding of nuclear graphite’s properties, behavior, and applications; particular focus has been given to irradiation effects, oxidation mechanisms, thermal and mechanical performance, and long-term stability under reactor conditions. This report provides an update on the ongoing publications being prepared at ORNL. These studies are collectively intended to build a comprehensive knowledge base on nuclear graphite. The studies focus on key aspects such as microstructural characterization, oxidation behavior, advanced analytical techniques, molten salt infiltration, technique development, and billet-to-billet variability. By summarizing the progress of these publications, this report outlines ORNL’s contributions to the field, identifies knowledge gaps, and proposes future research directions. The findings presented in these studies will help enhance the understanding of nuclear graphite’s behavior, support the qualification of nuclear graphite materials, further the development of new techniques and guidelines for using microscopy techniques, and improve reactor safety and performance.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

The 10 September 2025 M w 4.1 Earthquake in Northeastern Utah, United States: An Archetypal Continental Mantle Event

The 10 September 2025 M w 4.1 earthquake in northeastern Utah, United States, had a focal depth 68 km beneath sea level, which is ∼20–25 km greater than estimates of local crustal thickness, making it a rare example of a continental mantle earthquake (CME). The focal depth is well resolved from arrival-time inversion (nearest station ∼13 km away) and moment tensor inversion of regional waveforms. Similar to other CMEs in the Intermountain West, there were no obvious aftershocks or foreshocks, and the waveforms were enriched in high-frequency energy. Spectral modeling gives a stress drop of ∼80 MPa and a radiation efficiency of ∼0.08, albeit with large uncertainties. The high stress drop and low radiation efficiency are consistent with a dissipative source process such as thermal runaway. Also similar to previous Intermountain West CMEs, the event occurred along the boundary of the Archean Wyoming craton, where pressure–temperature conditions favor ductile deformation. We hypothesize that edge-driven or regional-scale mantle convection produces increased strain rates near the craton boundary that make either conventional brittle failure or thermal runaway feasible at relatively high pressure–temperature conditions. High conductivity inferred around the edge of the craton may suggest that fluids also contribute to CME occurrence.

Koper, Keith D. [Univ. of Utah, Salt Lake City, UT↗
NASA NTRS2018

Ice Crystal Icing Physics Study using a NACA 0012 Airfoil at the National Research Council of Canada's Research Altitude Test Facility

This paper presents results from a study of the fundamental physics of ice-crystal ice accretion using a NACA 0012 airfoil at the National Research Council of Canada (NRC) Research Altitude Test Facility in August 2017. These tests were a continuation of work which began in 2010 as part of a joint collaboration between NASA and NRC. The research seeks to generate icing conditions representative of those that occur inside a jet engine when ingesting ice crystals. In this test, an airfoil was exposed to mixed-phase icing conditions and the resulting ice accretions were recorded and analyzed. This paper details the specific objectives, procedures, and measurements which included the aero-thermal and cloud measurements. The objectives were built upon observations and hypothesis generated from several previous test campaigns regarding mixed-phase ice-crystal icing. The specific objectives included (A) ice accretions under different wet-bulb temperatures, (B) investigations of steady-state ice shapes previously reported in the literature, (C) total water content variations in search of a threshold for accretion, and (D) probe characterization related to measuring melt fraction which is important to characterize the mixed-phase condition. The resulting ice accretions and conditions leading to such accretions are intended to help extend NASA’s predictive ice-accretion codes to include conditions occurring in engine ice-crystal icing.

Icing↗
DOE OSTI2023

Structural and Chemical Evolution of Highly Fluorinated Li‐Rich Disordered Rocksalt Oxyfluorides as a Function of Temperature

Abstract Li‐rich disordered rocksalt (DRS) oxyfluorides have emerged as promising high‐energy cathode materials for lithium‐ion batteries. While a high level of fluorination in DRS materials offers performance advantages, it can only be achieved via mechanochemical synthesis, which poses challenges of reproducibility and scalability. The definition of relationships between fluorination and structural stability is required to devise alternative methods that overcome these challenges. In this study, the thermal evolution of three highly fluorinated phases, Li 2 TMO 2 F (TM = Mn, Co, and Ni), is investigated in an inert atmosphere. Diffraction and spectroscopic techniques are utilized to examine their electronic and chemical states up until conditions of decomposition. The analysis reveals that the materials phase‐separate above 400 °C, at most. It is also observed that heat‐treated DRS materials exhibit intricate changes in the local coordination of the metals, including their spin, and ordering compared to the pristine states. The changes upon annealing are accompanied by a modulation of the voltage profile, including reduced hysteresis, when used as electrodes. These results provide an in‐depth understanding of the fundamental crystal chemistry of DRS oxyfluorides in view of their promising role as the next generation of Li‐ion cathodes.

25 ENERGY STORAGE↗
DOE OSTI2024

Wind and structural loads data measured on parabolic trough solar collectors at an operational power plant

Abstract Wind loading is a primary contributor to structural design costs of concentrating solar-thermal power collectors, such as heliostats and parabolic troughs. These structures must resist the mechanical forces generated by turbulent wind, while the reflector surfaces must maintain optimal optical performance. Studying wind-driven loads at a full-scale, operational concentrating solar-thermal power plant provides insights into the wind impact on the solar collector field beyond the capabilities of wind tunnel tests or state-of-the-art simulations. We conducted comprehensive field measurements of the atmospheric turbulent wind conditions and the resulting structural wind loads on parabolic troughs at the Nevada Solar One plant over a two-year period. The measurement setup included meteorological masts and structural load sensors on four trough rows. Additionally, a lidar scanned the horizontal plane above the trough field. In this study, we describe the high-resolution dataset characterizing the complex flow field and resulting structural loads. This first-of-its-kind dataset will enhance the understanding of wind loading on collector structures and will help in designing the next-generation solar collectors and photovoltaic trackers.

14 SOLAR ENERGY↗
DOE OSTI2023

Pressurized Water Reactor Control Rod Ejection Analysis Using PARCS, RELAP5-3D, and BISON for High Burnup Fuel

This paper describes safety assessment of high burnup fuel (HBF) during loss of coolant accidents (LOCA), reactivity-initiated accidents (RIA), and anticipated operational occurrences (AOOs) for Southern Nuclear’s Vogtle Electric Generating plant (VEGP). A goal of this project is to create a multiphysics modeling approach in aspects of thermal hydraulics, neutronics, and fuel performance, as well as to use it in combination with experimental studies (Figure 1). In support of the project, this paper seeks to address fuel performance of a HBF pin during steady state conditions and during a control rod ejection (CRE) scenario using a loose coupling of PARCS, RELAP5-3D, and BISON.. The primary goal of this work was to analyze high burnup fuel behavior during a CRE scenario. The results indicate fuel failure is not expected to occur under the conditions presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Electron Inversion and Tunneling at Silicon Thermal Oxide Interfaces for Solar-Driven Molecular Catalysis to Syngas

Semiconductor photoelectrodes are regularly coupled to solid-state heterogeneous catalysts to perform solar-driven reduction of CO 2 . Less frequently, molecular catalysts are employed to better control the reactivity toward desired products, yet the development of robust semiconductor/molecule interfaces has proven challenging. Here, we demonstrate that a 2–3 nm thermal oxide layer on Si exhibits stability in aqueous solution, high photovoltage, and a photocurrent density of ∼10 mA/cm 2 for the solar-driven photoelectrochemical reduction of a homogeneous molecular catalyst, producing syngas with an ∼2:1 H 2 to CO ratio. Because of a low defect density, the oxide interface forms an electron inversion layer with metal-like electron density at cathodic potentials. This inversion layer facilitates electron transfer to redox-active molecules via tunneling even if the molecule’s reduction potential is beyond the semiconductor’s conduction band edge. Using an electrolyte solution composed of a homogeneous cobalt bis(terpyridine) catalyst in a water/organic solvent mixture, stable photoelectrochemistry was observed under 1-sun illumination, exhibiting an ∼30% Faradaic efficiency for CO that was similar to a glassy carbon electrode under comparable conditions. Furthermore, the results demonstrate that an ultrathin thermal oxide interface is a robust platform for development of aqueous-stable, molecule-driven photoelectrocatalysis.

Catalysts↗
NASA NTRS2009

Orbiter Boundary Layer Transition Stability Modeling at Flight Entry Conditions

State of the art boundary layer stability modeling capabilities are increasingly seeing application to entry flight vehicles. With the advent of user friendly and robust implementations of two-dimensional chemical nonequilibrium stability modeling with the STABL/PSE-CHEM software, the need for flight data to calibrate such analyses capabilities becomes more critical. Recent efforts to perform entry flight testing with the Orbiter geometry related to entry aerothermodynamics and boundary layer transition is allowing for a heightened focus on the Orbiter configuration. A significant advancement in the state of the art can likely be achieved by establishing a basis of understanding for the occurrence of boundary layer transition on the Orbiter due to discrete protruding gap fillers and the nominal distributed roughness of the actual thermal protection system. Recent success in demonstrating centerline two-dimensional stability modeling on the centerline of the Orbiter at flight entry conditions provides a starting point for additional investigations. The more detailed paper will include smooth Orbiter configuration boundary layer stability results for several typical orbiter entry conditions. In addition, the numerical modeling approach for establishing the mean laminar flow will be reviewed and the method for determining boundary layer disturbance growth will be overviewed. In addition, if actual Orbiter TPS surface data obtained via digital surface scans become available, it may be possible to investigate the effects of an as-flown flight configuration on boundary layer transition compared to a smooth CAD reference.

Bartkowicz, Matt↗
DOE OSTI2026

Mechanistic transition of stainless steel 304L corrosion in MgCl 2 phase change material under thermal cycling

Magnesium chloride (MgCl 2 )-based molten salt phase change materials (PCMs) are promising candidates for thermal energy storage (TES) owing to their advantageous thermophysical properties, however, their high corrosivity in the molten state limits material compatibility. In this study, the corrosion behavior of 304?L stainless steel (SS304L) exposed to MgCl2 PCM was investigated as a function of thermal cycling (up to 9000 cycles) relevant to PCM-based TES systems. Microstructural changes and elemental redistribution at the alloy-salt interface under thermal cycling conditions were characterized using synchrotron-based X-ray fluorescence (XRF) and scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDS). Results show that corrosion is governed by selective Cr-dissolution and elemental diffusion near the interface and grain boundaries. A clear transition in the dominant corrosion mechanism is observed with increasing thermal cycles. Surface corrosion is the dominant mechanism up to 1000 cycles, whereas intergranular corrosion becomes the primary degradation mode beyond 2000 cycles. These mechanistic changes are interpreted in terms of evolving interfacial chemistry, microstructure and the diffusion-driven redistribution of alloying elements.

36 MATERIALS SCIENCE↗