Search NASA⌕ Search

SEARCH · Search NASA

Results for “physical and thermal properties”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2

Real-space Green's function approach for x-ray spectra at high temperature

There has been considerable interest in properties of condensed matter at high temperature, including nonequilibrium behavior and extreme conditions up to the warm dense matter regime. Such behavior is encountered, e.g., in experimental time-resolved x-ray absorption spectroscopy in the presence of intense laser fields. In an effort to simulate such behavior, we present an approach for calculations of high-temperature x-ray absorption spectra in arbitrary materials, using a generalization of the real-space Green's function formalism. Here, the method is incorporated as an option in the core-level x-ray spectroscopy code FEFF10. To illustrate the approach, we present calculations for several materials together with comparisons to experiment and with other methods.

36 MATERIALS SCIENCE↗

Radiative heat transfer in FLiBe molten salt participating medium in a vertical heated tube under forced and mixed convection laminar flows

The contribution of radiative heat transfer (RHT) to convective heat transfer in a heated vertical pipe with laminar flow and constant wall temperature, for FLiBe molten salt, is investigated computationally. The combined effects of conduction in the fluid, forced convection, buoyancy, temperature-dependent physical properties, and thermal radiation are investigated. The P1 approximation is employed in the discretization of the Radiative Transfer Equation (RTE). The COMSOL Multiphysics software is used to generate the numerical solutions. The theoretical analysis developed here demonstrates that only for intermediate values of the optical thickness, i.e. τ D ~ O 1 , the participating media effects are expected to be important. This analysis is confirmed computationally and a value of τ D ≈ 4 is shown to lead to the highest increase in overall heat transfer behavior. Under forced convection, the Nusselt ratio N u total / N u no - rad reaches a peak value of 1.76 at τ D = 4 and z/D = 200 , and is less than 1.1 for τ D < 0 . 1 and τ D > 60 . Under aiding-flow mixed convection, N u total / N u no - rad reaches a peak of 1.34 at τ D = 4 . 2 and is less than 1.1 for τ D < 0 . 4 and τ D > 36 . Under opposing-flow mixed convection, Nu total / Nu no - rad reaches a peak of 1.81 at τ D = 4 . 2 and is less than 1.1 for τ D < 0 . 2 and τ D > 50 . RHT effects on the overall heat transfer are most pronounced in opposing mixed convection, where N u total / N u no - rad is 2.26 observed at z/D = 50 . The sensitivity to wall emissivity is evaluated; in forced convection, the peak N u total / N u no - rad is 1.66 at ε = 0 (reflective wall) and 2.04 at ε = 1 (absorptive wall). Finally, the sensitivity to pipe diameter is also discussed. Overall, for a vertical heated tube, radiative heat transfer effects lead to enhancement of heat transfer by as high as a factor of two, and they depend on the optical thickness of the flow, mixed convection environment ( Gr / R e 2 and direction of flow relative to the gravitational force), surface emissivity, and entrance effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Building a DFT+U machine learning interatomic potential for uranium dioxide

Despite uranium dioxide (UO 2 ) being a widely used nuclear fuel, fuel performance models rely extensively on empirical correlations of material behavior, leveraging the historical operating experience of UO 2 . Mechanistic models that consider an atomistic understanding of the processes governing fuel performance (such as fission gas release and creep) will enable a better description of fuel behavior under non-prototypical conditions such as in new reactor concepts or for modified UO 2 fuel compositions. To this end, molecular dynamics simulation is a powerful tool for rapidly predicting physical properties of proposed fuel candidates. However, the reliability of these simulations depends largely on the accuracy of the atomic forces. Traditionally, these forces are computed using either a classical force field (FF) or density functional theory (DFT). While DFT is relatively accurate, the computational cost is burdensome, especially for f-electron elements, such as actinides. By contrast, classical FFs are computationally efficient but are less accurate. For these reasons, we report a new accurate machine learning interatomic potential (MLIP) for UO 2 that provides high-fidelity reproduction of DFT forces at a similar low cost to classical FFs. We employ an active learning approach that autonomously augments the DFT training data set to iteratively refine the MLIP. To further improve the quality of our predictions, we utilize transfer learning to retrain our MLIP to higher-accuracy DFT+U data. We validate our MLIPs by comparing predicted physical properties (e.g., thermal expansion and elastic properties) with those from existing classical FFs and DFT/DFT+U calculations, as well as with experimental data when available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Temperature-Dependent Speciation of Ni(II) in Molten Chloride, Bromide, and Iodide Salts

Understanding the fundamental speciation and local structure of metal cations─such as nickel, which is present as a corrosion product─in molten salt media is essential for assessing their impact on the thermal and physical properties of salts used for advanced nuclear energy applications. In this study, we employed an integrated approach of combining X-ray absorption spectroscopy (XAS), UV–vis spectroscopy, and ab initio molecular dynamics (AIMD) to investigate the halide-dependent speciation of divalent nickel ions, Ni(II), in LiCl–KCl, LiBr–KBr, and LiI–KI eutectic salt mixtures from room temperature to 600 °C. Our findings show that both halide type and temperature significantly influence the local coordination of nickel in these molten salt systems. A notable aspect of Ni(II) speciation in LiI–KI salts is the formation of a polyiodide species. In conclusion, our findings provide critical insights into metal ion speciation in molten salt systems, enhancing our understanding of the factors that govern the physicochemical properties of these complex fluids.

36 MATERIALS SCIENCE↗

Asteroids seen by JWST-MIRI: Radiometric size, distance, and orbit constraints

Infrared measurements of asteroids are crucial for the determination of physical and thermal properties of individual objects, and for understanding the small-body populations in the solar system as a whole. However, standard radiometric methods can only be applied if the orbit of an object is known, hence its position at the time of the observation. With JWST-MIRI observations the situation will change and many unknown, often very small, solar system objects will be detected. Later orbit determinations are difficult due to the faintness of the objects and the lack of dedicated follow-up concepts. We present MIRI observations of the outer-belt asteroid (10920) 1998 BC1 and an unknown object, detected in all nine MIRI bands in close apparent proximity to (10920). We developed a new method called STM-ORBIT to interpret the multi-band measurements without knowing the object’s true location. The power of the new technique is that it determines the most-likely heliocentric and observer-centric distance and phase angle ranges, allowing us to make a radiometric size estimate. The application to the MIRI fluxes of (10920) was used to validate the method. It leads to a confirmation of the known radiometric size-albedo solution, and puts constraints on the asteroid’s location and orbit in agreement with its true orbit. To back up the validation of the method, we obtained additional ground-based light curve observations of (10920), combined with Gaia data, which indicate a very elongated object (a/b ≥ 1.5), with a spin-pole at (λ, β) ecl = (178°, +81°), with an estimated error of about 20°, and a rotation period of 4.861191 ± 0.000015 h. A thermophysical study of all available JWST-MIRI and WISE measurements leads to a size of 14.5–16.5 km (diameter of an equal-volume sphere), a geometric albedo pV between 0.05 and 0.10, and a thermal inertia in the range 9–35 (best value 15) J m -2 s -0.5 K -1 . For the newly discovered MIRI object, the STM-ORBIT method revealed a size of 100–230 m. The new asteroid must be on a low-inclination orbit (0.7° < i < 2.0°) and it was located in the inner main-belt region during JWST observations. A beaming parameter η larger than 1.0 would push the size even below 100 meters, a main-belt regime that has escaped IR detections so far. This kind of MIRI observations can therefore contribute to formation and evolution studies via classical size-frequency studies, which are currently limited to objects larger than about one kilometer in size. We estimate that MIRI frames with pointings close to the ecliptic and short integration times of only a few seconds will always include a few asteroids; most of them will be unknown objects.

79 ASTRONOMY AND ASTROPHYSICS↗

Chemically Cross-Linked Cellulose Nanocrystal Aerogels for Effective Removal of Cation Dye

In this study, porous aerogels were prepared by directional freeze-drying via cross-linking cellulose nanocrystals (CNCs) with poly(methyl vinyl ether-co-maleic acid) (PMVEMA) and poly(ethylene glycol) (PEG). The thermal properties and physical adsorption performance toward cation methylene blue dye of the obtained CNC aerogels were investigated. The maximum degradation temperature was increased from 324&#x000B0;C of CNCs to 355&#x000B0;C of cross-linked CNC aerogels. The dye adsorption isotherm results showed that the maximum methylene blue adsorption capacity of CNC aerogels was 116.2 mg g &#x02212;1 , according to the Langmuir model, which was mainly due to the electrostatic attractions between negatively charged carboxyl groups or sulfonate groups on the CNC aerogles and cation MB molecules. The reusability test showed that the CNC aerogels contained the same dye adsorption performance in five adsorption/desorption cycles. Overall, this study described an ideal alternative for water purification with high dye adsorption capacity and enhanced physical performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fuel Design and Fabrication: Research Reactor Fuel

The objective of this chapter is to inform the reader on the essential aspects of design and fabrication of nuclear fuel systems utilized in research and test reactors. Fuel attributes of interest include mechanical, physical, and thermal properties as well as overall manufacturability. The chapter focuses primarily on plate-type fuels utilized in the highest power research reactors where design and function are critical to operational safety and successfully meeting each reactor’s unique mission.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of Aluminum Metal Powders for Plutonium-238 Program

As part of radioisotope thermoelectric generator (RTG) production for power sources in deep space exploration, Oak Ridge National Laboratory (ORNL) produces plutonium-238 ( 238 Pu). To produce 238 Pu, neptunium-237 ( 237 Np) targets are fabricated at ORNL and subsequently irradiated at the High Flux Isotope Reactor (HFIR) at ORNL and the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). Specifically, current flowsheets utilize neptunium dioxide ( 237 NpO 2 ) targets. Aluminum (Al) powder is blended with 237 NpO 2 target material to improve thermal conductivity during irradiation. The current composition of 237 NpO 2 /Al pellets (i.e., cermets, or ceramic–metallics) is 20% 237 NpO 2 , 70% Al, and 10% void space. Al powders utilized by the 238 Pu program are high-fired under vacuum before blending into targets. The primary objective of this work is to measure the physical, chemical, and thermal properties of Al before and after the high-firing process. Properties of interest include the morphology, surface texture, particle size, crystal phase(s), and thermal conductivity of the material. These properties are measured with existing materials characterization equipment at ORNL, including powder x-ray diffraction (pXRD), scanning electron microscopy (SEM) with energy-dispersive spectroscopy (EDS), laser flash analysis (LFA), and thermogravimetric analysis (TGA). A secondary objective of this work is to compare the Al powders before and after the high-firing procedure to determine the effects of high-firing on chemical, physical, and thermal properties and to determine the efficacy of the high-firing process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

X-ray computed tomography-based porosity analysis: Algorithms and application for porous woody biomass

The properties of lignocellulosic biomass, such as bulk physical, thermal, and mechanical properties, as well as the mobility of enzymes or catalysts, are largely affected by porosity, pore structures, and pore size distribution. While X-ray computed tomography (CT) has been introduced to effectively produce 3D volumetric images of material microstructure, a quantitative porosity analysis from the 3D images has never been done. This work introduces a first-of-its-kind X-ray CT-based quantitative porosity analysis method and applies the developed toolkit to characterize the internal porosity distribution of loblolly pine. A sample loblolly pine chip was scanned by a nano-resolution X-ray CT system and digitally reconstructed after a sequence of image processing operations. Here, a comprehensive porosity analysis was then performed to quantify the envelope porosity, the spatial distribution of local porosity, and the directional porosity. Solutions to the various challenges in image processing, porosity calculation, and large data handling are provided.

42 ENGINEERING↗

Light, High Performance and Scalable Coal-Derived Composites for Construction: Precast and Cast-in-Place Applications

The overall objective of this project was to produce a coal-based construction material that has up to ~95 weight percent (wt. %) coal with physical, chemical, and thermal properties exceeding those of ordinary Portland cement (OPC)-based construction materials. Additionally, the project aimed to minimize external binders by implementing novel mixing techniques, while exceeding the performance/cost ratio of OPC. Finally, the project was to demonstrate production of precast products via the design and fabrication of products via a bench scale process. Consistent with some of these objectives, the project successfully fabricated samples of coal-based composite materials with >80 wt% coal with physical, chemical and thermal properties on par with cement-based concrete. Select samples demonstrated compressive strengths with >7,000 psi and flexural strength of >420 psi. The composite materials minimized external binders and also demonstrated durability, as evidenced by resistance to acidic and basic solutions. Finally, larger slab and beam type samples were produced using a process developed by the Recipient, although, the process was not semicontinuous in nature. Taken together, the results of this project suggest that domestic coal has potential to serve as a replacement for cementitious materials utilized in incumbent construction technologies, which could significantly reduce the energy and emissions of the construction industry

01 COAL, LIGNITE, AND PEAT↗

2023 Status Report - Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC

Thermal, mechanical, and physical properties have been measured on fiberboard samples aging for up to 18 years at accelerated conditions. The aging environments include elevated temperature up to 250 ºF (the maximum allowed service temperature for fiberboard in 9975 packages) and elevated humidity. Accelerated aging results have been analyzed and used to build aging models. Correlations relating several properties (thermal conductivity, energy absorption, weight, dimensions, and density) to their rate of change in potential storage environments have been developed. Combined with an estimate of the actual conditions the fiberboard experiences in K-Area Complex (KAC), these models allow development of service life predictions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Thermal Property Modeling and Assessment of the Physical Properties of FLiNaK

Here, the thermodynamic properties of the LiF–NaF–KF system and its subsystems were re-evaluated using the CALPHAD method, focusing on the deviations from ideality in the heat capacity [C p (T)] of mixtures, temperature-dependence of mixing enthalpies (Δ mix H), vapor pressures of mixtures, and enthalpies of fusion (ΔH fus ) using reported values and measurements. The results of this work confirmed a pseudoternary eutectic at 732.9 K and 46.5LiF–11.5NaF–42KF mol % (FLiNaK) with determined Cp(T) = 69.822 + 0.000679T + 2,137,152T –2 J mol –1 K –1 (732.9 < T < 1200 K) and ΔH fus = 18,051 J mol –1 in good agreement to the experimental values. The resulting accurate thermodynamic representation can be used to find relevant excess thermochemical properties in the whole pseudoternary space and provide insights into their composition and temperature dependence. A detailed evaluation of select thermophysical properties was also conducted to determine recommended density, thermal diffusivity, thermal conductivity, vapor pressures, and boiling point with calculated uncertainties over the temperature range of interest for FLiNaK–salt energy applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Packages in KAC (2021 Status Report)

Thermal, mechanical, and physical properties have been measured on fiberboard samples following accelerated aging for up to 16 years. The aging environments include elevated temperature up to 250 ºF (the maximum allowed service temperature for fiberboard in 9975 packages) and elevated humidity. Accelerated aging results have been analyzed and used to build aging models. Correlations relating several properties (thermal conductivity, energy absorption, weight, dimensions, and density) to their rate of change in potential storage environments have been developed. Combined with an estimate of the actual conditions the fiberboard experiences in K-Area Complex (KAC), these models allow development of service life predictions. KAC completed calculations that supported extending the service life of 9975 packages with 3013 and non3013 containers in storage from 15 years to 20 years. These calculations addressed the potential for degraded fiberboard properties following 20 years in storage using degradation models developed previously. The updated degradation models developed in this report have been compared to the assumptions in these calculations, and the current results for fiberboard dimensions, density, radial thermal conductivity, and energy absorption remain consistent with those calculations. The axial thermal conductivity degradation rate slightly exceeds calculations estimate of 0.5% per year between 130 and 160 °F. Additional data will continue to be collected to permit future refinements to the models and assumptions. Some of the predicted degradation rates presented in this report are extreme. However, these relate to environments that do not exist within KAC or would be postulated only as upset conditions that would not likely persist for an extended period. For a typical package stored in KAC with approximately 10-12 watts internal heat load or less, and ambient temperatures below 90 ºF, the fiberboard assemblies experience storage conditions less severe than any of the aging environments. Fiberboard in conforming packages with lower internal heat loads should experience little or no degradation and is expected to provide a service life beyond the currently approved 20 year storage period. Packages with higher internal heat loads may not continue to perform their required safety functions beyond 20 years. Ultimately, service life will be determined by the cumulative effect of degradation from all the conditions these packages might encounter. The results and model predictions presented in this report are applicable to 9975 packages with cane or softwood fiberboard overpack assemblies. These degradation models do not address the effects of nonconforming conditions such as the presence of excess moisture and mold or beetle infestations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC (2022 Status Report)

Thermal, mechanical, and physical properties have been measured on fiberboard samples following accelerated aging for up to 17 years. The aging environments include elevated temperature up to 250 °F (the maximum allowed service temperature for fiberboard in 9975 packages) and elevated humidity. Accelerated aging results have been analyzed and used to build aging models. Correlations relating several properties (thermal conductivity, energy absorption, weight, dimensions, and density) to their rate of change in potential storage environments have been developed. Combined with an estimate of the actual conditions the fiberboard experiences in K-Area Complex (KAC), these models allow development of service life predictions. KAC completed calculations that supported extending the service life of 9975 packages with 3013 containers in storage from 20 years to 40 years. These calculations addressed the potential for degraded fiberboard properties following 40 years in storage using degradation models developed previously. Due to differences in containers, 9975 packages with non-3013 containers are only approved for 20 years of storage. The updated degradation models developed in this report have been compared to the assumptions in those calculations, and the current results for fiberboard dimensions, density, radial thermal conductivity, and energy absorption remain consistent with those calculations. The axial thermal conductivity degradation rate slightly exceeds calculations estimate of 0.5% per year between 130 and 160 °F. Additional data will continue to be collected to permit future refinements to the models and assumptions. Some of the predicted degradation rates presented in this report are extreme. However, these relate to environments that do not exist within KAC or would be postulated only as upset conditions that would not likely persist for an extended period. For a typical package stored in KAC with approximately 10-12 watts internal heat load or less, and ambient temperatures below 90 °F, the fiberboard assemblies experience storage conditions less severe than any of the aging environments. Fiberboard in conforming packages with lower internal heat loads should experience little or no degradation and is expected to provide a service life beyond the currently approved 40 year storage period. Packages with higher internal heat loads may not continue to perform their required safety functions beyond 40 years. Ultimately, service life will be determined by the cumulative effect of degradation from all the conditions these packages might encounter. The results and model predictions presented in this report are applicable to 9975 packages with cane or softwood fiberboard overpack assemblies. These degradation models do not address the effects of non-conforming conditions such as the presence of excess moisture and mold or beetle infestations.

36 MATERIALS SCIENCE↗

Impacts of Biologically Induced Degradation on Surface Energy, Wettability, and Cohesion of Corn Stover

The impacts of biological degradation on surface area, surface energy, wettability, and cohesion of anatomically fractionated (i.e., leaf, stalk, and cob) and bulk corn stover are presented in this study. The physical, thermal and chemical properties of corn stover are critical material attributes that not only influence the mechanical processing and chemical conversion of corn stover, but also the bulk solids handling and transport. The measured surface areas were observed to be dependent on the degree of biological degradation (mild vs. moderate vs. severe) and on the anatomical fraction. The surface area of the bulk corn stover samples increased with the degree of biological degradation. The leaf fraction was the most sensitive to biological degradation, resulting in an increase in surface area from 0.5 m 2 /g (mildly degraded) to 1.2 m 2 /g (severely degraded). In contrast, the surface area of the cob fraction remained relatively unaffected by the degree of biological degradation (i.e., mildly degraded–0.55 m 2 /g, severely degraded–0.40 m 2 /g. All biologically degraded samples resulted in significant changes to the surface chemistry (evidenced by an increase in surface energy. As a general trend, the surface energy of bulk corn stover increased with the degree of biological degradation—the same trend was observed for the leaf and stalk anatomical fractions; however, the surface energy for the cob fraction remained unchanged. Wettability, calculated from surface energy, for bulk corn stover samples did not reveal any discernable trend with the degree of biological degradation. However, trends in wettability were observed for the anatomical fractions, with wettability increasing for the stalk and leaf fractions, and decreasing for the cob fraction. Excluding the cob fraction, the work of cohesion increased with the degree of biological degradation. Understanding the impacts of biological degradation on the physical, chemical and thermal properties of corn stover offers insights to improve the overall operational reliability, efficiency and economics of integrated biorefineries.

09 BIOMASS FUELS↗

2024 Status Report - Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC

Fiberboard assemblies in the 9975 package were identified as susceptible to aging and degradation under long-term storage conditions. Thermal, mechanical, and physical properties have been measured on fiberboard samples aging for up to 19 years at accelerated conditions. The aging environments include elevated temperature up to 250 ºF (the maximum allowed service temperature for fiberboard in 9975 packages) and elevated humidity. Accelerated aging results have been analyzed and used to build aging models. Correlations relating several properties (thermal conductivity, energy absorption, weight, dimensions, and density) to their rate of change in potential storage environments have been developed. Combined with an estimate of the actual conditions the fiberboard experiences in K-Area Complex (KAC), these models allow development of service life predictions.

36 MATERIALS SCIENCE↗

2025 Status Report - Fiberboard Properties and Degradation Rates for Storage of 9975 Shipping Package in KAC

Fiberboard assemblies in the 9975 package were identified as susceptible to aging and degradation under long-term storage conditions. Thermal, mechanical, and physical properties have been measured on fiberboard samples aging for up to 20 years at accelerated conditions. The aging environments include elevated temperature up to 250 ºF (the maximum allowed service temperature for fiberboard in 9975 packages) and elevated humidity. Accelerated aging results have been analyzed and used to build aging models. Correlations relating several properties (thermal conductivity, energy absorption, weight, dimensions, and density) to their rate of change in potential storage environments have been developed. Combined with an estimate of the actual conditions the fiberboard experiences in K-Area Complex (KAC), these models allow development of service life predictions. KAC completed calculations that supported extending the service life of 9975 packages with 3013 containers in storage from 20 years to 40 years. These calculations addressed the potential for degraded fiberboard properties following 40 years in storage using degradation models. The 40 year storage evaluations assumed the degradation rates from initial values for density, dimensional, and thermal properties were 0.5% per year (i.e., after 40 years, the density, dimensional, and thermal properties of fiberboard were 80% of its initial values). The updated degradation models developed in this report were compared to the assumptions in those calculations, and the current results for fiberboard dimensions, density, axial and radial thermal conductivities, and energy absorption remain consistent with those calculations. Additional data will continue to be collected to permit future refinements to the models and assumptions. Some of the predicted degradation rates presented in this report are purposely high to accelerate aging. These rates relate to environments that do not exist within KAC or are postulated to only occur as upset conditions that are unlikely to persist for an extended period. For a typical package stored in KAC with approximately 10-12 watts internal heat load or less, and ambient temperatures below 90 ºF, the fiberboard assemblies experience storage conditions less severe than any of the aging environments (i.e., under 125 °F) used in this study. Fiberboard in conforming packages with lower internal heat loads should experience little or no degradation and is expected to provide a service life beyond the currently approved 40 year storage period. Packages with higher internal heat loads may not continue to perform their required safety functions beyond 40 years. Ultimately, service life will be determined by the cumulative effect of degradation from all the conditions these packages might encounter. The results and model predictions presented in this report are applicable to 9975 packages with cane or softwood fiberboard overpack assemblies. These degradation models do not address the effects of non&#x2;conforming conditions such as the presence of excess moisture and mold or beetle infestations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗