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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Heat generation in electric double layer capacitors with neat and diluted ionic liquid electrolytes under large potential window between 5 and 80 °C

Here, this study investigates the effect of temperature on the heat generation and the associated electrochemical phenomena occurring in IL-based EDLCs. The EDLCs consisted of two identical activated carbon electrodes with neat Pyr14TFSI or Pyr14TFSI diluted in propylene carbonate (PC) as electrolytes. The instantaneous heat generation rate at each electrode was measured by isothermal calorimetry between 5 and 80 °C under constant current cycling and potential window of 2.5 V. First, the instantaneous heat generation rate was similar at each electrode in neat IL. However, it was smaller at the negative electrode in diluted IL and featured endothermic dips growing with increasing temperature > 40 °C due to overscreening effects, ion desolvation, and/or decomposition of PC. The irreversible heat generation was similar in each half-cell and decreased with increasing temperature due to the reduction in internal resistance, particularly with neat IL. The irreversible heat generation exceeded Joule heating in all cases, especially at high temperature and low current. This was attributed to ion desorption and charge redistribution in the porous electrodes. Finally, the reversible heat generation for both electrolytes was larger at the positive than at the negative electrode due to the difference in anion and cation sizes.

25 ENERGY STORAGE↗
DOE OSTI2021

Potentiometric entropy and operando calorimetric measurements reveal fast charging mechanisms in PNb 9 O 25

The Wadsley–Roth compound PNb 9 O 25 is a promising fast charging lithium ion battery anode material with high operating voltage to prevent solid electrolyte interface formation. Here, in this work, we present potentiometric entropy measurements featuring signatures of semiconductor-to-metal transition and intralayer ordering upon lithiation in the anode material PNb 9 O 25 that could not be observed with in situ X-ray diffraction. In addition, the instantaneous heat generation rates at the PNb 9 O 25 working electrode and at the lithium metal counter electrode during galvanostatic cycling were measured individually for the first time by operando isothermal calorimetry. The heat generation rate decreased at the PNb 9 O 25 electrode upon lithiation due to the decrease in electrical resistivity caused by the semiconductor-to-metal transition observed in potentiometric entropy measurements. Furthermore, the heat generation rate at the lithium metal electrode was positive during delithiation due to the exothermic plating of Li + ions on the lithium metal counter electrode associated with dendrite formation. Furthermore, calorimetric measurements established that the entropy change dominated the reversible heat generation rate at each electrode. Finally, the contribution of enthalpy of mixing was relatively small even at high C-rates thanks to the high Li + ion mobility in PNb 9 O 25 confirming its promises as a fast charging anode material.

25 ENERGY STORAGE↗
DOE OSTI2024

Superior electrochemical performance and reduced heat generation in 3D printed vs. 2D tape-casted NMC622 electrodes

This study compares the charge storage mechanisms, thermodynamics behavior, ion transport, and heat generation in NMC622 electrodes fabricated using a novel 3D printing process and the conventional 2D tape casting process. First, potentiometric entropy measurements revealed that the charge storage mechanisms for both types of electrodes consisted of lithium deintercalation in a homogeneous solid solution of NMC622 followed by a transition from a hexagonal (H1) phase to another hexagonal (H2) phase through a monoclinic (M) phase. Both types of electrodes had similar thermodynamics behavior with overlapping entropic potential profiles. Furthermore, operando isothermal calorimetry at high C-rates indicated that the 3D printed electrodes featured larger specific capacity and better rate performance than the 2D tape-casted electrodes. The better performance of 3D printed electrodes was attributed to their larger electrode/electrolyte interfacial surface area and electrical conductivity as well as their faster lithium ion transport. As a result, the instantaneous heat generation rates were smaller in 3D printed electrodes than in 2D tape-casted electrodes, thus resulting in lower overall specific electrical energy and thermal energy dissipation per unit charge stored. Overall, additive manufacturing techniques offer great potential in producing electrodes with superior electrochemical performance and reduced heat generation for fast charging batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Influence of porous aluminosilicate grain size materials in experimental and modelling Cs + adsorption kinetics and wastewater column process

This paper focuses on the influence of the grain size of a geopolymer based adsorbent on its Cs + adsorption performances both in batch and fixed-bed process. The geopolymer phase was used as a binder to support NaY zeolite particle in a 20 wt% charged porous composite with 160 m 2 .g –1 of porous surface area. These samples were shaped with three grain sizes (50 /100/500 µm) to remove 80–90 mg/g of Cs + in batch and column operations. After their microstructural and porous characterizations, their efficiency and adsorption characteristics were investigated through adsorption isotherms and kinetic in the two processes. While the grain size has no influence on the maximal extraction capacity of the adsorbent, it strongly affects the sorption kinetic. By coupling experimental data and a modelling approach, the complex sorption mechanism was highlighted, suggesting a new insight of the contaminant sorption kinetic. Then, comparison of batch and column adsorption experiments illustrates the detailed explanation of various process parameters for column study. The results show challenges for fixed-bed column utilization by the choice of the appropriate grain size as a compromise between the material sorption kinetic and hydrodynamic considerations. Furthermore, this is of high importance to more accurately optimize the design of column adsorption to assess the transport of Cs+ in multi-porous tailored grain size materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surface smoothing for laser powder-bed Ti-6Al-4V by a transient liquid phase

Surface roughness is the primary driver of fatigue for additively manufactured metals. To address surface roughness, this work introduces a new method to smooth features beyond line-of-sight without material removal. The method applies a coating that triggers local surface remelting by activating a eutectic reaction during heat treatment. The associated liquid phase then wets and isothermally solidifies into a smoother surface. For Ti-6Al-4V fabricated with laser powder bed fusion, samples with and without TLP smoothing (using a Cu coating) were characterized with a suite of techniques, including mechanical testing, electron backscatter diffraction, synchrotron X-ray tomography, and fractography. TLP smoothing reduced surface roughness by 80% and amplified compressive residual stress at the surface by about 50%. With statistically equivalent virtual microstructures, crystal plasticity scrutinized the roles of phases, porosity, and surface roughness. Although the tensile strain-to-failure was reduced to 1% strain, the TLP smoothing process increased high-cycle fatigue strength by about 20% compared to control samples, pointing to future opportunities to optimize the new process through various coating compositions and heat treatment schedules. Overall, this work establishes a new paradigm for treating surfaces of materials for smoothness and compressive residual stress.

Additive manufacturing↗
DOE OSTI2026

Near-field passive sensor for the monitoring of high-temperature oxidative corrosion of metals

This study reports on the development and testing of a passive wireless device designed to track temperature and corrosion behavior in SS304H stainless steel under elevated temperatures. The ANSYS HFSS software was utilized to model and optimize the design of an inductor-capacitor (LC) resonator passive wireless sensors fabricated using platinum designs printed onto an aluminum oxide support operating at frequencies between (50–190 MHz). The optimal LC wireless sensor designs were then fabricated using screen-printing and sintering methods. Here, the sensors were tested by placing the sensor onto polished SS304H flat substrates and heated to 900–1050 °C in air. Wireless acquisition of sensor data during heating, cooling, and isothermal stages was achieved through a Pt loop antenna connected to an RF signal generator and a network analyzer.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Synthesis of high-surface area tungstated zirconia by atomic layer deposition on mesoporous silica

Atomic layer deposition (ALD) was used to prepare ZrO 2 films on the surface of the mesoporous silica, SBA-15, and to modify the surface of these films with WO 3 in order to form tungstated zirconia. Adsorption-desorption isotherms, pore size distributions, and transmission electron microscopy demonstrated that the ALD synthesis produced zirconia films that were conformal to the SBA-15 pores. DRIFT spectroscopy of pyridine adsorbed on the tungstated-zirconia SBA-15 samples showed adsorbed pyridinium ions, confirming the presence of Brønsted-acid sites on this material, consistent with what has been reported for bulk tungstated zirconia. Here, the ALD-synthesized, tungstated-zirconia SBA-15 was also shown to be active in the acid-catalyzed H-D exchange between toluene and D 2 O.

Brønsted acid site↗
DOE OSTI2024

Gas-phase surface modification to control catalyst structure and yields in methane dehydroaromatization

Methane dehydroaromatization (MDA) is a promising approach for direct methane transformation to aromatics and hydrogen. The benchmark catalyst Mo/H-ZSM-5 struggles to find commercial adoption because of thermodynamically-limited yields and rapid coking on Brønsted acid and molybdenum carbide species, especially on zeolite external surfaces. Here, gas-phase atomic layer deposition (ALD) overcoats H-ZSM-5 external surfaces with SiO 2 or Al 2 O 3 . NH 3 -TPD, HRTEM, and textural properties show that these overcoats exclusively passivate zeolite external surfaces. Under MDA conditions, SiO 2 gives softer coke and increases cumulative benzene yields by 25%, while Al 2 O 3 strongly decreases yields. H 2 -TPR and UV-visible and Raman spectroscopy show how the overcoats redisperse the MoO x precatalysts, especially over multiple deactivation and isothermal oxidative regeneration cycles. Combined with 27 Al-MAS NMR, MoO x redistribution and dealumination are seen as the causes of long-term deactivation over multiple regeneration cycles, and this process continues to occur regardless of the overcoat. Altogether, the deposition of a small amount of silica on the outer surface of Mo/H-ZSM-5 reduces the formation of hard coke, which could be regenerated by milder methods such as hydrogen treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Tensile behavior of diffusion bonded AA6061 - AA6061 with variation in cooling method

Hot isostatically pressed AA6061 cladding is an important structural component of the high performance, Zr-laminated U-10Mo monolithic fuel system for the application in research and test reactors. In this study, the mechanical behavior of two diffusion bonded aluminum alloy, AA6061, was examined using tensile testing. Solid-to-solid diffusion bonding between two pieces of AA6061 was performed by isothermal annealing at 560 °C for 1.5 h, and diffusion couples were subsequently cooled via three different cooling methods: furnace cooling, air cooling, and water quenching. Dog-bone shaped tensile specimens, with 10 mm in gauge length (with diffusion bonded interface in the middle), and 1.5 × 1.5 mm 2 gauge cross-sections, were fabricated from the diffusion bonded AA6061 by electro-discharge machining. Yield strength (% EL at failure) of furnace cooled, air cooled and water quenched tensile specimens determined was 82 ~ 89 MPa (10 ~ 30%), 112 ~ 116 MPa (10 ~ 14%), and 149 ~ 164 MPa (10 ~ 17%), respectively. This variation in mechanical behavior was examined with cooling-rate dependent, concentrated precipitation of Mg 2 Si at the diffusion bonded interface, with due respect for mechanical properties of the AA6061 alloy that inherently vary as a function of cooling rate from 560 °C. Finite element analysis using ABAQUS was employed to augment experimental findings with the appropriate microstructural constituents and alloy properties. Results suggest that the strength is dominated by matrix/bulk properties of AA6061, while ductility is strongly influenced by the cooling method dependent presence of Mg 2 Si precipitates at the interface.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Sigma phase evolution and nucleation mechanisms revealed by atom probe tomography in a 347H stainless steel

The size evolution and phase composition of sigma phases were investigated for a 347H stainless steel subject to isothermal aging at 750 °C for up to 10,000 h. Scanning electron microscopy reveals that sigma phases are present before 336 h aging and they continue to grow for all aging times studied. Atom probe tomography shows little variation in the sigma phase composition with aging time up to 10,000 h, and only the C content decreases with aging time. The comparison of C concentration suggests that the sigma phase does not nucleate within the C-depleted matrix or precipitate free grain boundaries, leaving dissolving metastable M 23 C 6 as the only possible nucleation site. Based on the experimental results and thermodynamic simulations, the desirable Nb concentration is discussed to reduce the kinetics of sigma phase growth, and possible design directions are suggested to improve 347H.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Challenges in computationally designing high temperature Fe-based austenitic alloys: Addressing the role of Ni additions

Alumina-forming austenitic (AFA) alloys are relatively inexpensive high performance materials which combine the creep resistance of low-cost austenitic alloys and the oxidation resistance of expensive alumina forming alloys. However, a fundamental understanding of the role of key alloying elements such as Ni, Cr, Al, Nb, Ti, V, B and C in the experimentally observed oxidation behavior of these alloys is still lacking. The present work is a first in a series of studies aiming to quantitatively describe the role of Ni in promoting or disrupting protective Al 2 O 3 scale formation on AFA alloys. Here, ternary Fe-Al-xNi model alloys with three different Ni contents were isothermally exposed in an atmosphere with a low partial pressure of oxygen between 800–1000 °C for 24 h to evaluate the role of Ni in the observed internal oxidation behavior. Increasing Ni contents had no impact on the internal oxidation behavior of the alloys. The experimental and theoretical analyses in the present work suggested a negligible effect of the internal oxide precipitates on the inward diffusion of oxygen, typically expected in these systems, while simultaneously highlighting the barriers in the development of reliable models for computation-assisted design of these alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Recrystallization driven softening and heating rate dependencies of FeCrAl nuclear fuel cladding during accident transients

A refined understanding of FeCrAl cladding behavior during rapid transients is critical for its potential deployment in light-water reactors. Current assessments focus on transient burst testing metrics such as balloon geometry, burst temperature, and hoop stress, often used as proxies for simpler conventional tensile properties. However, directly correlating isothermal tensile and creep data with accident transient scenarios remains a challenge, although it is essential for high fidelity model development. Recent modeling based on tensile tests up to 800 °C, conducted with both immediate loading and a 10-minute soak, showed that immediate loading better predicts experimental burst temperatures, indicating a thermal softening effect. Building upon this observation, the current study connects transient performance, microstructural evolution, and high-temperature tensile properties by leveraging results from C26M claddings burst tests performed at heating rates of 1–50 °C/s and hoop stresses from 25 to 100 MPa. At 25 MPa, rupture temperatures varied by only 6 °C, but at 100 MPa, the difference reached 116 °C, with faster heating yielding higher burst temperatures. Microstructural analysis identified recrystallization as the primary cause of heating rate-dependent softening, eliminating prior cold-working. In-situ thermomechanical data linked ballooning onset to localized instabilities, similar to ultimate tensile strength behavior in conventional tensile tests. High heating rates correlated with immediate loading tensile data, while lower rates matched soaked data. Furthermore, by linking burst performance to microstructural evolution and tensile properties, this work provides a foundation for more accurate modeling of FeCrAl claddings and potentially other Fe-based materials under accident conditions.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Energy-Efficient and Water-Saving Sorbent Regeneration at Near Room Temperature for Direct Air Capture

Here this study reports energy-efficient and water-saving microwave-accelerated regeneration of sorbent (MARS) for dilute carbon capture from the ambient air. The experimental studies indicated that the CO 2 desorption rate from the chemisorbents increased with microwave output under near-isothermal conditions at near room temperature. The reduced activation energy of MARS, i.e., 20–28 kJ/mol, indicated enhanced CO 2 desorption kinetics by microwave-induced rotational–vibrational (rovibrational) coupling transitions, primarily due to the highly polarized feature of the carbamate (CO 2 -PEI). The instant and selective delivery of microwave energy to the targeted polarized C–N bonds at room temperature is particularly advantageous for energy-efficient direct air capture. The experimental results also demonstrated a good working capacity of 0.6–1.4 mmol of CO 2 /g and a promising rapid MARS-DAC process with microwave swing. As it does not require steam regeneration and heat exchanger, a simple MARS process is attractive for CO 2 capture in water-stressed regions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Highly microporous Parinari Curatellifolia carbon nanomaterials for supercapacitors

High surface area nanostructured electrodes are essential for understanding charge storage mechanisms in high capacitance supercapacitors. Additionally, a growing number of studies provide credible evidence that the highest capacitance in carbon nanomaterials is attainable only when the pore size is in micropore range. In this study therefore, micropore-dominatedcarbon materials derived from Parinari curatellifolia (PC) waste seeds are prepared via pyrolysis and subsequent chemical activation with KOH. SEM, EDAX, TEM, Raman, and XRD studies show that the microstructure and composition of the as-prepared microporous carbon materials are influenced by adjusting the KOH to carbon mass ratio. Sorption studies demonstrate a very high BET surface area of 1898 m 2 g –1 , type I isotherm, and 99% micropore content in all the samples. The BET surface area, S micro , V micro , and total volume increased with increasing KOH content during activation. The fabricated electrodes exhibit high specific capacitances of 423 F g –1 at 5 mV s –1 and cyclic stability of 98% after 50000 cycles both of which are indicative of our carbon materials huge potential in making high performance supercapacitors. The specific capacitance increased with the micropore content in the samples signifying that the pores enhanced diffusion and hence the charge storage. The PC carbon materials deliver high specific capacitance due to the enhancement of diffusion and charge storage stemming from the synergetic interplay of the aforementioned textural parameters. As a result, the PC carbon materials therefore provide good prospects for supercapacitor applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Impacts of constraints and uncertainties on projected amount of Hanford low-activity waste glasses

A systematic evaluation of Hanford low-activity waste (LAW) loading in alkali-aluminoborosilicate glasses was performed. A set of 22 waste compositions were selected to represent the range of wastes anticipated across the Hanford mission. Glass composition was formulated for each waste to simultaneously satisfy a full cadre of property and composition constraints while maximizing waste loading. Glass properties were estimated using property models recently developed for Hanford LAW Facility operation. The impacts from the property and composition constraints on the glass mass to be produced were calculated and compared. Electrical conductivity, Vapor Hydration Test and SO 3 melter tolerance, and canister-centerline cooling crystal constraints have a large effect on reducing total glass mass, while the impact from Product Consistency Test, viscosity, and isothermal crystal constraints is relatively small. Additionally, effects of model prediction and process/composition uncertainties were quantified. The results identified areas of future research that could be useful to improve the efficiency of plant operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Numerical study of multi-component flow and mixing in a scaled fission product venting system

Numerical simulation of isothermal multi-component gas flow was conducted to study fluid flow and mixing in a scaled low-pressure, low-temperature test facility for the fission product venting system (FPVS) of a gas cooled fast reactor (GFR). The geometry of FPVS test facility was an open loop including gradual expansion coupling and two 90°pipe elbows. First, the validation of large eddy simulation (LES) wall-adapting local eddy-viscosity (WALE) turbulent model was performed for transitional flow in a circular pipe with gradual expansion. The reactingFOAM solver in OpenFOAM v8 was employed. By introducing appropriate turbulence disturbance at the flow inlet, such as turbulence intensity, the numerical results showed good agreement in (1) the velocity profile downstream of the pipe expansion measured by particle image velocimetry (PIV) in this study, and (2) the reattachment length reported in the literature. Using this validated model, the numerical simulation of flow and component mixing was performed for the FPVS with an inlet flowrate corresponding to a Reynolds number of 2,400 to investigate the flow behavior and component mixing. Standard deviation of the mass fraction of component, referred to as absolute mixing index (AMI), was calculated to quantify the mixing of components, showing that the component mixing length determined by AMI is related to the reattachment length downstream of the expansion. Additionally, this study was able to identify the best location in the FPVS test facility to measure the velocity and concentration profies where multicomponent flow is well mixed.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

ROADRUNNER uranium nitride MiniFuel: Experimental design, fabrication and pre-irradiation baseline characterization for accelerated burnup testing

Uranium nitride (UN) is a promising fuel candidate for advanced reactor systems owing to its high uranium density and thermal conductivity; however, its qualification remains constrained by the scarcity of well-controlled irradiation performance data. Here, to address this limitation, the ROADRUNNER (Research On ADvancing the peRformance of UraNium Nitrides in Extreme enviRonments) campaign employs the MiniFuel platform in the High Flux Isotope Reactor (HFIR) to enable accelerated burnup irradiation testing under tightly controlled and largely isothermal conditions. This paper presents the experimental design, fuel fabrication, and pre-irradiation baseline characterization of the ROADRUNNER UN MiniFuel campaign. Thirty-six UN minidisc specimens were fabricated with systematically varied as-fabricated density (86–96% of theoretical density), carbon impurity content (961–5240 ppm), oxygen content (≤ ∼2000 ppm), and grain size (2.5–24 μm). The irradiation matrix spans nominal fuel temperatures of 873 K, 1173 K, and 1473 K and target burnups of 3.75%, 6.0%, and 7.5% fissions per initial metal atom (FIMA). Neutronic and thermal analyses were performed to define specimen-specific burnup accumulation and temperature histories, establishing the boundary conditions for subsequent in-pile behavior. Comprehensive pre-irradiation characterization—including dimensional metrology, density verification, impurity analysis, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, X-ray computed tomography, and confocal profilometry—provides a detailed baseline for post-irradiation examination. Pre-irradiation data were further used to generate predictive estimates of fission gas release and swelling using existing empirical correlations. This quantitative comparison reveals substantial inter-model divergence at intermediate and elevated temperatures that exceeds propagated input uncertainties, highlighting structural gaps in the historical irradiation database. The ROADRUNNER irradiation campaign is currently underway in HFIR, with initial firs cycle completed in late 2025 and remaining targets scheduled through 2027. The experimental design and baseline dataset presented here establish the framework needed to interpret forthcoming post-irradiation measurements and to provide discriminating data for the validation and refinement of physics-based UN fuel performance models.

Lopes, Denise Adorno [Oak Ridge National Laborator↗