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DOE OSTI2021

Thermal energy storage apparatus, controllers and thermal energy storage control methods

Thermal energy storage apparatus, controllers and thermal energy storage control methods are described. According to one aspect, a thermal energy storage apparatus controller includes processing circuitry configured to access first information which is indicative of surpluses and deficiencies of electrical energy upon an electrical power system at a plurality of moments in time, access second information which is indicative of temperature of a thermal energy storage medium at a plurality of moments in time, and use the first and second information to control an amount of electrical energy which is utilized by a heating element to heat the thermal energy storage medium at a plurality of moments in time.

Hammerstrom, Donald J.↗

DOE OSTI2021

DESIGN AND PROTOYPING OF A FISSILE-BEARING CHLORIDE SALT IRRADIATION EXPERIMENT

Limited data exists on the properties of irradiated fueled chloride-based salts for use in advanced nuclear reactors. The design and prototyping of a salt irradiation experiment is underway. Mechanical design will integrate the experiment into existing assemblies in TRIGA type cores. Neutronics modeling demonstrated how targeted power densities can be reached and provide insight on radionuclide source term generation within the experiment. Thermal-hydraulic and computational fluid dynamics (CFD) analysis indicated that temperature ranges in the salt can satisfy both safety and programmatic requirements. Initial prototyping tests provided confidence in the ability to extract the salt post-irradiation, and in the heater performance. Future planned prototyping will provide an integral assessment of the proposed design prior to insertion in the reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1975

Exospheric temperature inferred from the Aeros-A neutral composition measurement

The derivation of exospheric temperature from satellite drag measurements is based on an assumption of invariant conditions of the neutral atmosphere at 120 km. Since it has been established that atomic oxygen, which is usually the major neutral constituent in the region of drag measurements, is subject to considerable variability with season, latitude, and solar and geomagnetic activity in the altitude region of 120 km, its value as an indicator of exospheric temperature is questionable. Ogo 6 neutral mass spectrometer measurements revealed that molecular nitrogen is a better indicator of exospheric temperature, since it is not subject to changes caused by eddy mixing and is therefore relatively less variable near the turbopause. However, theoretical arguments show that argon, even though it is a minor constituent, is relatively less variable with respect to changes in eddy diffusion coefficient and hence a better indicator of exospheric temperature than O and N2. In this paper the relative merits of these gases for deriving exospheric temperature are investigated by using observational data from the Aeros-A Nate experiment.

Chandra, S.↗

DOE OSTI2024

Chemical Environment and Structural Variations in High Entropy Oxide Thin Film Probed with Electron Microscopy

For this work, we employ analytical transmission electron microscopy (TEM) to correlate the structural and chemical environment variations within a stacked epitaxial thin film of the high entropy oxide (HEO) Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 O (J14), with two layers grown at different substrate temperatures (500 and 200 °C) using pulsed laser deposition (PLD). Electron diffraction and atomically resolved STEM imaging reveal the difference in out-of-plane lattice parameters in the stacked thin film, which is further quantified on a larger scale using four-dimensional STEM (4D-STEM). In the layer deposited at a lower temperature, electron energy loss spectroscopy (EELS) mapping indicates drastic changes in the oxidation states and bonding environment for Co ions, and energy-dispersive X-ray spectroscopy (EDX) mapping detects more significant cation deficiency. Ab initio density functional theory (DFT) calculations validate that vacancies on the cation sublattice of J14 result in significant electronic and structural changes. The experimental and computational analyses indicate that low temperatures during film growth result in cation deficiency, an altered chemical environment, and reduced lattice parameters while maintaining a single phase. Our results demonstrate that the complex correlation of configurational entropy, kinetics, and thermodynamics can be utilized for accessing a range of metastable configurations in HEO materials without altering cation proportions, enabling further engineering of functional properties of HEO materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Vitamin B12 conveys a protective advantage to phycosphere-associated bacteria at high temperatures

Abstract Many marine microbes require vitamin B12 (cobalamin) but are unable to synthesize it, necessitating reliance on other B12-producing microbes. Thus, phytoplankton and bacterioplankton community dynamics can partially depend on the production and release of a limiting resource by members of the same community. We tested the impact of temperature and B12 availability on the growth of two bacterial taxa commonly associated with phytoplankton: Ruegeria pomeroyi, which produces B12 and fulfills the B12 requirements of some phytoplankton, and Alteromonas macleodii, which does not produce B12 but also does not strictly require it for growth. For B12-producing R. pomeroyi, we further tested how temperature influences B12 production and release. Access to B12 significantly increased growth rates of both species at the highest temperatures tested (38 °C for R. pomeroyi, 40 °C for A. macleodii) and A. macleodii biomass was significantly reduced when grown at high temperatures without B12, indicating that B12 is protective at high temperatures. Moreover, R. pomeroyi produced more B12 at warmer temperatures but did not release detectable amounts of B12 at any temperature tested. Results imply that increasing temperatures and more frequent marine heatwaves with climate change will influence microbial B12 dynamics and could interrupt symbiotic resource sharing.

Mars Brisbin, Margaret (ORCID:0000000177560039)↗

DOE OSTI2020

Violation of the T –1 Relationship in the Lattice Thermal Conductivity of Mg 3 Sb 2 with Locally Asymmetric Vibrations

Most crystalline materials follow the guidelines of T –1 temperature-dependent lattice thermal conductivity (κ L ) at elevated temperatures. Here, we observe a weak temperature dependence of κ L in Mg 3 Sb 2 , T –0.48 from theory and T –0.57 from measurements, based on a comprehensive study combining ab initio molecular dynamics calculations and experimental measurements on single crystal Mg 3 Sb 2 . These results can be understood in terms of the so-called “phonon renormalization” effects due to the strong temperature dependence of the interatomic force constants (IFCs). The increasing temperature leads to the frequency upshifting for those low-frequency phonons dominating heat transport, and more importantly, the phonon-phonon interactions are weakened. In-depth analysis reveals that the phenomenon is closely related to the temperature-induced asymmetric movements of Mg atoms within MgSb 4 tetrahedron. With increasing temperature, these Mg atoms tend to locate at the areas with relatively low force in the force profile, leading to reduced effective 3 rd -order IFCs. The locally asymmetrical atomic movements at elevated temperatures can be further treated as an indicator of temperature-induced variations of IFCs and thus relatively strong phonon renormalization. The present work sheds light on the fundamental origins of anomalous temperature dependence of κ L in thermoelectrics.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Geochemical affinities of cobalt and germanium toward metal, silicate, and sulfide phases at high temperature

Hydrothermal studies indicate that Co and Ge are strongly siderophile when metallic iron is in equilibrium with olivine at 900 C and 500 bars. If the metal is replaced by troilite (FeS), Ge is strongly lithophile whereas Co tends to concentrate in the sulfide phase. If iron meteorites were formed in a core derived from the sulfide phase, they would be depleted in Ge but retain Co.

Wai, C. M.↗

NASA NTRS1984

Nondestructive evaluation of residual stress in low-carbon steel, introduction

The degree of insensitivity of the temperature dependence method to variations in preferred orientations in A508 low carbon steel specimens was determined. A pulsed phase locked loop was used to measure ultrasonic velocity in these specimens in the temperature range of 50 C below and above room temperature. Results are given in tables and indicate that the temperature dependence of ultrasonic longitudinal velocity in four specimens cut at different angles remains unchanged as a function of orientation within + or -2%. The variation of temperature dependence of ultrasonic shear velocity in the A508 steel as a function of applied stresses was also measured. Results show that values at zero stress are equal regardless of whether the polarization direction is parallel or perpendicular to the direction in which the stress is applied.

Source record↗

NASA NTRS1993

Metal-silicate thermochemistry at high temperature - Magma oceans and the 'excess siderophile element' problem of the earth's upper mantle

Low-temperature metal-silicate partition coefficients are extrapolated to magma ocean temperatures. If the low-temperature chemistry data is found to be applicable at high temperatures, an important assumption, then the results indicate that high temperature alone cannot account for the excess siderophile element problem of the upper mantle. For most elements, a rise in temperature will result in a modest increase in siderophile behavior if an iron-wuestite redox buffer is paralleled. However, long-range extrapolation of experimental data is hazardous when the data contains even modest experimental errors. For a given element, extrapolated high-temperature partition coefficients can differ by orders of magnitude, even when data from independent studies is consistent within quoted errors. In order to accurately assess siderophile element behavior in a magma ocean, it will be necessary to obtain direct experimental measurements for at least some of the siderophile elements.

Capobianco, Christopher J.↗

NASA NTRS1977

Airborne thermography for crop water stress assessment

Aircraft overflights to obtain canopy temperatures of six differentially irrigated plots of durum wheat were made at Phoenix, Arizona on 1 and 29 April 1976. The data were acquired by a Texas Instruments model RS-25 infrared line scanner operating in the 8 to 14 micrometer bandpass region. Concurrently, plant water tension was measured on the ground with the Scholander pressure bomb technique. The results indicated that canopy temperatures acquired by aircraft about an hour and a half past solar noon correlated well with presunrise plant water tension - a parameter directly related to plant growth and development. The aircraft data also showed significant within-field canopy temperature variability, indicating the superiority of the synoptic view provided by aircraft over the more spotty view obtained by ground-operated infrared thermometers.

Millard, J. P.↗

DOE OSTI2022

Thermally Grown Oxide Stress in PS-PVD and EB-PVD Thermal Barrier Coatings Observed at Various Lifetimes Via Synchrotron X-ray Diffraction

The current standard application method for thermal barrier coatings (TBCs) on turbine blades for jet engines is electron-beam physical vapor deposition (EB-PVD) due to its high strain tolerance and low thermal conductivity. An emerging deposition method, plasma-spray physical vapor deposition (PS-PVD), presents an opportunity for a tailorable microstructure, and non-line-of-sight deposition that is faster and less expensive. To compare the lifetime behavior of both PS-PVD and EB-PVD coatings, samples subjected to 300 and 600 thermal cycles were measured during a 1 h thermal cycle to determine the strains, which were converted to stress, in the thermally grown oxide (TGO) layer of the TBCs using synchrotron X-ray diffraction (XRD). Room temperature XRD measurements indicated among samples that PS-PVD coatings experienced greater variation in in-plane room temperature strain in the TGO after cycling than the EB-PVD coatings. In-situ XRD measurements indicated similar high-temperature strain and no spallation after 600 thermal cycles for both coatings. Further, microscopy imaging after cycling showed greater rumpling in PS-PVD coatings that led to different failure modes between the two coatings’ TGO layers. The tailorability of PS-PVD coatings allows for adjustments in the processing parameters to improve their overall performance after aging and bridge the differences between the two deposition methods.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Interfacial Unit-Dependent Catalytic Activity for CO Oxidation over Cerium Oxysulfate Cluster Assemblies

Atomically precise cerium oxo clusters offer a platform to investigate structure–property relationships that are much more complex in the ill-defined bulk material cerium dioxide. We investigated the activity of the MCe 70 torus family (M = Cd, Ce, Co, Cu, Fe, Ni, and Zn), a family of discrete oxysulfate-based Ce 70 rings linked by monomeric cation units, for CO oxidation. CuCe 70 emerged as the best performing MCe 70 catalyst among those tested, prompting our exploration of the role of the interfacial unit on catalytic activity. Temperature-programmed reduction (TPR) studies of the catalysts indicated a lower temperature reduction in CuCe 70 as compared to CeCe 70 . In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) indicated that CuCe 70 exhibited a faster formation of Ce 3+ and contained CO bridging sites absent in CeCe 70 . Isothermal CO adsorption measurements demonstrated a greater uptake of CO by CuCe 70 as compared to CeCe 70 . The calculated energies for the formation of a single oxygen defect in the structure significantly decreased with the presence of Cu at the linkage site as opposed to Ce. Furthermore, this study revealed that atomic-level changes in the interfacial unit can change the reducibility, CO binding/uptake, and oxygen vacancy defect formation energetics in the MCe 70 family to thus tune their catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

Refractory lithophile elements

The abundance and distributions of refractory lithophile elements in chondritic meteorites and calcium-aluminum inclusions (CAIs) are presently noted to indicate that protoplanetary material was heated to very high temperatures. Three subsequent elemental fractionations have since been resolved: (1) that within the CAIs, indicating temperatures high enough to evaporate much of the refractory element content; (2) that of the refractory lithophile elements; and (3) that of Mg and Si, which indicates that the high temperatures were prevalent throughout the chondrite-formation region. Attention is given to models that have been proposed to explain elemental and isotopic abundances of refractory lithophile elements in chondritic material.

Larimer, John W.↗

DOE OSTI2022

The response of accident tolerant fuel cladding to LOCA burst testing: A comparative study of leading concepts

Accident tolerant fuel claddings seek to improve safety margins during loss-of-coolant accident (LOCA) scenarios by reducing cladding steam oxidation rates, hydrogen production, delaying or mitigating cladding burst, and reducing cladding deformation. After rapid and extensive progress in recent years, Cr coated Zr-based alloys, ferritic FeCrAl, and SiC/SiC ceramic matrix composites (CMCs) have emerged as the most promising cladding concepts, but there are few studies comparing the accident tolerance of all three concepts simultaneously. Here, in this study, LOCA burst testing has been conducted on Cr high impulse power magnetron sputtered Zry-4 (Cr/Zry-4), C26M (FeCrAl), and SiC/SiC SiGA (CMC). Experimental observations indicate Cr/Zry-4 burst at higher temperatures than Zry-4 however the effectiveness of the coating on mitigating ZrO 2 formation via Cr 2 O 3 formation depended on physical proximity to the burst opening. No dramatic improvement in diametrical strain nor opening geometry was observed. C26M burst at higher temperatures than Zry-4 at lower pressures, exhibiting small amounts of strain and smaller openings, and formed slow-growing Al 2 O 3 regardless of location. The CMCs did not burst or show any macroscopic signs of deformation, all the way up to an internal cladding pressure of 15.2 MPa. High temperature expanding Nb plug testing indicated that CMC room temperature strength may persist up to 1650°C, with an approximately 40% loss of strength at 1900°C. CMC steam oxidation was also compared to reference chemically vapor deposited SiC up to 1700°C, and CMCs were found to oxidize at slightly accelerated rates that were still orders of magnitude lower than bare Zry-4. Projected H 2 generation during LOCA burst testing showed that when accounting for cladding burst exposing inner diameters to steam, Cr coated Zry-4 reduced H 2 generation by a factor of two compared with bare Zry-4, while both C26M and SiC/SiC reduced H 2 generation by orders of magnitude relative to bare Zry-4.

36 MATERIALS SCIENCE↗

NASA NTRS1972

Temperature-dependent transmission and self-indication measurements upon depleted U in the unresolved region

Neutron transmission and self-indication ratio measurements have been carried out at the RPI LINAC on depleted U up to 100 KeV in order to investigate the temperature dependence of resonance self-shielding. These measurements were performed at three sample temperatures (77 deg k, 295 deg k, and 973 deg k) and with sample thicknesses ranging from 0.0076 to 0.0621 atom/barn. Both stochastic sampling and analytical methods have been used to interpret these data. Average resonance parameters have been obtained and temperature dependence as well as sample thickness dependence of the data have been extensively studied.

Byoun, T. Y.↗

NASA NTRS2015

Microgravity Flammability of PMMA Rods in Concurrent Flow

Microgravity experiments burning cast PMMA cylindrical rods in axial flow have been conducted aboard the International Space Station in the Microgravity Science Glovebox (MSG) facility using the Burning and Suppression of Solids (BASS) flow duct, as part of the BASS-II experiment. Twenty-four concurrent-flow tests were performed, focusing on finding flammability limits as a function of oxygen and flow speed. The oxygen was varied by using gaseous nitrogen to vitiate the working volume of the MSG. The speed of the flow parallel to the rod was varied using a fan at the entrance to the duct. Both blowoff and quenching limits were obtained at several oxygen concentrations. Each experiment ignited the rod at the initially hemispherical stagnation tip of the rod, and allowed the flame to develop and heat the rod at a sufficient flow to sustain burning. For blowoff limit tests, the astronaut quickly turned up the flow to obtain extinction. Complementary 5.18-second Zero Gravity Facility drop tests were conducted to compare blowoff limits in short and long duration microgravity. For quenching tests, the flow was incrementally turned down and the flame allowed to stabilize at the new flow condition for at least the solid-phase response time before changing it again. Quenching was observed when the flow became sufficiently weak that the flame could no longer provide adequate heat flux to compensate for the heat losses (conduction into the rod and radiation). A surface energy balance is presented that shows the surface radiative loss exceeds the conductive loss into the rod near the limit. The flammability boundary is shown to represent a critical Damkohler number, expressed in terms of the reaction rate divided by the stretch rate. For the blowoff branch, the boundary exhibits a linear dependence on oxygen concentration and stretch rate, indicating that the temperature at blowoff must be fairly constant. For the quenching branch, the dominance of the exponential nature of the Arrhenius kinetics reaction rate indicates that the temperature is critical.

flammability↗

DOE OSTI2025

Effects of ambient temperature on electric vehicle range considering battery Performance, powertrain Efficiency, and HVAC load

Here, this study investigates the impact of ambient temperature on the range of electric vehicles (EVs) by analyzing its effects on usable battery energy (UBE), heating, ventilation, and air conditioning (HVAC) energy consumption, and powertrain energy losses. Chassis dynamometer tests within a thermal chamber were conducted under various temperature conditions to investigate these impacts. The results indicate that lower temperatures lead to a decrease in UBE for lithium-ion batteries in EVs. At −18 °C, the UBE exhibited reductions of 4---8 % compared to the UBE at 22 °C. Battery thermal management strategies significantly affected the UBE loss, with different strategies resulting in distinct UBE reductions. HVAC energy consumption, especially for interior heating, proved to be the most dominant variable affecting EV driving range. Larger discrepancies between the HVAC target temperature (22 °C) and the ambient temperature increased HVAC energy usage. The type of HVAC system also influenced energy consumption, where EVs equipped with heat pumps demonstrated lower energy consumption for heating compared to those relying solely on resistance heaters. Ambient temperature also influenced motor energy consumption due to increased frictions, powertrain losses and tire rolling resistance at lower temperatures; consequently, regenerative braking energy decreased in cold conditions. Combining these effects influenced the overall energy consumption and driving range of EVs. At −18 °C, the driving range saw a substantial decrease of up to 60 % compared to 22 °C, while a slight decrease was observed at 35 °C.

Ambient Temperature↗

DOE OSTI2025

Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts

Ammonia (NH 3 ) is one of the most important industrial chemicals. The conventional NH 3 synthesis method-the Haber–Bosch process-converts atmospheric nitrogen (N 2 ) into NH 3 using H 2 with an iron (Fe) catalyst. However, this process requires high pressures (100–200 atm) and temperatures (700–800 K) near thermal equilibrium. Recently, Fe-based nanocatalysts have been reported to produce promising NH 3 yields under atmospheric pressures and temperature-modulated nonequilibrium conditions. Understanding the mechanism of nonequilibrium catalysis with programmed temperature variation could help to optimize this fully electrified and less energy-intensive process. Although reactive molecular dynamics (RMD) simulations can be a useful tool to model nonequilibrium catalytic processes, they require the development of accurate force fields (i.e., interatomic potentials). Here, we present a machine-learned (ML) force field within the Deep Potential MD (DPMD) framework, trained using periodic density functional theory (DFT) calculations, to model NH 3 synthesis on Fe catalysts with various surface adsorbates such as *N, *H, *N 2 , *H 2 , *NH, *NH 2 , and *NH 3 . Here, we generated the DFT data from static models of elementary reactions on the most stable (110) surface of body-centered cubic Fe, which then were augmented by data from constant number of particles–volume–temperature (NVT) DFT-MD trajectories at various temperatures. Finally, we utilized the fully optimized ML force field to investigate reaction dynamics at an Fe(110) surface at linearly increasing temperatures using NVT-DPMD simulations. Our simulations indicate that pulsed temperature ramping could prove favorable for NH3 synthesis. For example, we conducted ramping under multiple sets of conditions: (i) from 900 to 1200 K over periods of 0.1–0.3 ns for Fe surfaces precovered with N or NH along with H; and (ii) from 300 to 600 K over 0.1–0.3 ns for Fe surfaces precovered with NH 3 . While our simulations so far are limited to short time scales (very rapid heating), these observations shed light on the mechanism of the high NH 3 synthesis rate achieved in a novel temperature-modulated nonequilibrium catalytic reactor using pulsed heating and cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗