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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Measurements of Thermophysical Properties of Molten Silicon by a High-Temperature Electrostatic Levitator

Several thermophysical properties of molten silicon measured by the high-temperature electrostatic levitator at JPL are presented. They are density, constant-pressure specific heat capacity, hemispherical total emissivity, and surface tension. Over the temperature range investigated (1350 less than T(sub m) less than 1825 K), the measured liquid density (in g/cc) can be expressed by a quadratic function, pi(P) = p(sub m) - 1.69 x 10(exp -4)(T - T(sub m)) - 1.75 x 10(exp -7)((T - T(sub m))(exp 2) with T(sub m) and p(sub m) being 1687 K and 2.56 g/cc, respectively. The hemispherical total emissivity of molten silicon at the melting temperature was determined to be 0.18, and the constant-pressure specific heat was evaluated as a function of temperature. The surface tension (in 10(exp -3) N/m) of molten silicon over a similar temperature range can be expressed by sigma(T) = 875 - 0.22( T - T(sub m)).

Rhim, W. K.↗
NASA NTRS2012

Thermophysical Properties of 60-NITINOL for Mechanical Component Applications

The linear thermal expansion coefficient, specific heat capacity, electrical resistivity and thermal conductivity of 60- NITINOL were studied over a range of temperatures representing the operating environment of an oil-lubricated bearing. The behavior of this material appears to follow wellestablished theories applicable to either metal alloys, in general, or to intermetallic compounds, more specifically and the measured data were found to be comparable to those for conventional bearing alloys.

Stanford, Malcolm K.↗
DOE OSTI2026

Development of a BISON validation case for the TRISO transient irradiations in NSRR using effective heat capacity methods

The current tristructural isotropic (TRISO) fuel assessment and validation database in BISON primarily covers steady- state irradiation and high-temperature furnace testing. Transient assessment cases are potentially needed to support U.S. industry efforts in designing and deploying commercial reactors using TRISO fuels. Historical transient tests in- volving TRISO fuels used highly conservative conditions compared to the typical high-temperature gas-cooled reactor accident scenarios. Despite this, modeling historical transient tests is fundamental for evaluating BISON’s predictive capabilities, adapting material properties for high-temperature and high-particle-power regimes, and developing a sys- tematic validation approach for TRISO transient applications. This work developed a 1D model of transient experiments carried out at the Nuclear Safety Research Reactor using BISON. BISON’s predictions of energy deposition, UO 2 melting onset, and molten volume fractions are compared against experimental measurements. Melting was modeled using an effective specific heat capacity model for UO 2 . We found that BISON’s predictions are in reasonable agreement with experimental data for low-energy-deposition cases, and that BISON overpredicts melting at higher energy depositions. We also discuss the potential causes of discrepancies between the simulated and measured results and propose ways to further develop the model. Although these simulations used conservative conditions compared to those expected for actual TRISO-fueled reactors, they extended the range of conditions reflected in the data in the existing BISON database for TRISO fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRSDate not supplied

Microcalorimeter Absorber Optimization for 0.2 to 12 keV X-Rays

The Advanced Telescope for High ENergy Astrophysics (ATHENA) mission requires high quantum efficiency (QE) x-ray absorption, >90.6% at 7 keV and low specific heat capacity, 0.731 pJ/K. The designed ATHENA x-ray absorbers are cantilevered square tiles (pitch of 317 microns) of 1.05 μm thick Au and 5.51 μm thick Bi electroplated films supported by stems that connect the absorber to the detector below. We discuss some of the methods used to produce x-ray absorbers meeting these specifications for ATHENA. To tune the thermal conductance of the device and the effect on the normal-to superconducting transition shape, the stems need to be small diameter and can have a weak bottle-neck connection to the substrate. A funnel shape of the stem using a proximity exposed photoresist mold has been developed to improve the strength of the connections. Further requirements on the absorbers include low levels of fine particulate remaining on the substrate after production and zero shorts between absorbers due to incomplete ion milling or trapped fine particular between absorbers. To optimize for post patterning substrate cleanliness and absorber yield, we have examined several methods of absorber fabrication. Three such methods are 1) an ion mill/wet etch combination, 2) a photoresist mold for electroplating followed by wet or dry etch to remove the seed layer, and 3) an electroplating process with leveling to smooth the surface followed by ion mill to separate the absorbers. The different combinations of wet and dry etches lead to different yields and surface appearance of the absorber sidewalls. We present results on the achieved pixel yields and the energy resolution of pixels made with the various fabrication methods. We discuss the impact of absorber patterning method on performance, uniformity, and yield.

Edward J Wassell↗
DOE OSTI2022

Modeling the cooldown of cryocooler conduction-cooled devices

Cryocooler conduction cooled devices can experience significant cooldown time due to lower available cooling capacity compares to convection cooled devices. Therefore, the cooldown time is an important design parameter for conduction cooled devices. This article introduces a framework developed in Python for calculating the cooldown profiles and cooldown time of cryocooler conduction-cooled devices such as superconducting magnets and accelerator cavities. The cooldown time estimation problem is essentially a system of ordinary first-order differential equations comprising the material properties (temperature dependent thermal conductivity and specific heat capacity) of the components intertwined with the prevailing heat transfer channels (conduction, radiation, and heat flow across pressed contacts) and the cryocooler capacity. The formulation of this ODE system is first presented. This ODE system is then solved using the in-built Python library odeint. A case study is presented comprising a small cryocooler conduction-cooled copper stabilized niobium-titanium magnet. The case study is supplemented with the Python script enabling the reader to simply tweak the device design parameters and optimize the design from the point of view of slow/fast cooldown.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Synthesis and Thermophysical Property Determination of NaCl-PuCl3 Salts

Currently, a knowledge gap exists in the available data and understanding of thermophysical properties relating to fresh fuel salts, especially those containing plutonium. Determination of this data is necessary for the design and construction of test reactors, as well as the licensing of future commercial molten salt reactors. Thermophysical properties such as melting temperature, salt stability, density, and heat capacity were determined on synthesized eutectic NaCl-PuCl3 and a more sodium rich composition containing 25 mol% PuCl3. These measurements document the baseline properties of the salt as a function of temperature for future experiments on irradiated fuel salt which will provide a holistic perspective on the change of thermophysical properties during reactor operations. It was determined that the NaCl-PuCl3 ingot synthesized for this study contained 63.4 mol% NaCl, 36.3 mol% PuCl3, and was 99.7% pure. Upon heating it was shown that the NaCl- PuCl3 eutectic was stable at temperatures of 800°C. The onset of melting occurred at 541°C and the enthalpy of fusion was determined to be 140.7 ± 8.4 J/g. Specific heat capacity measurements showed a slightly decreasing trend with respect to temperature in the liquid phase ranging from 0.67 to 0.57 J/g·K, with an average value of 0.637 ± 0.03 J/g·K (104 ± 5 J/mol·K) between 500 to 720°C. Three independent trials of the molten NaCl-PuCl3 eutectic salt found the density to be ?(T) = 3.8589 – 9.5342·10-4 T(°C), validated between 500 to 800°C. In addition to salt synthesis and experimentally determining thermodynamic properties, Ab Initio molecular dynamic (AIMD) simulations were used to calculate density and heat capacity values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Non-Contact Mass Density and Thermal Conductivity Measurements of Organic Thin Films Using Frequency–Domain Thermoreflectance

Thin-film organic materials are broadly used to study amorphous stabilization of active pharmaceuticals, control explosive detonation phenomena, and introduce insulation in novel thermal barriers. Their synthesis, however, introduces defects and thickness variations that warrant careful characterization of local thermophysical properties such as thermal conductivity and mass density. In this study, wide bandwidth (200 Hz to 20 MHz) frequency–domain thermoreflectance (FDTR) is demonstrated to simultaneously extract the thermal conductivity and mass density of 1 μm physical vapor-deposited indomethacin films on Si and SiO 2 substrates, as well as 10 and 100 μm films on Si. By assuming a bulk specific heat capacity, mass densities are determined with FDTR measurements of volumetric heat capacity and are in good agreement with the literature, as well as models based upon a dependence on porosity and the kinetic theory for phonons. Lastly, it is found that for broad-band FDTR measurements, insulating substrates provide improved fidelity for the extraction of thermal conductivity and volumetric heat capacity in organic thin films. Overall, this work demonstrates the potential for FDTR as a non-contact method to determine microscale mass density variations across the surface and thickness of organic thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct Prediction of Phonon Density of States With Euclidean Neural Networks

Abstract Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated in crystalline solids due to crystallographic symmetry considerations and data scarcity. Here, the direct prediction of phonon density‐of‐states (DOS) is demonstrated using only atomic species and positions as input. Euclidean neural networks are applied, which by construction are equivariant to 3D rotations, translations, and inversion and thereby capture full crystal symmetry, and achieve high‐quality prediction using a small training set of examples with over 64 atom types. The predictive model reproduces key features of experimental data and even generalizes to materials with unseen elements, and is naturally suited to efficiently predict alloy systems without additional computational cost. The potential of the network is demonstrated by predicting a broad number of high phononic specific heat capacity materials. The work indicates an efficient approach to explore materials' phonon structure, and can further enable rapid screening for high‐performance thermal storage materials and phonon‐mediated superconductors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Thermophysical properties of the Ghareb formation relevant for nuclear waste disposal

The Ghareb formation, a shallowly buried porous chalk in Israel, is currently a candidate for nuclear waste disposal. The potential repository is somewhat unique for its host rock and emplacement in shallow (500 m) engineered large diameter boreholes. Herein, the thermal properties of the Ghareb are determined to support design and performance assessment; the relevant properties measured are thermal conductivity, specific heat capacity, thermal diffusivity, and thermal expansion coefficient along with their relationship with varying temperature. For the temperature range of 40 to 275 °C, the thermal conductivity ranges from 0.30 to 1.10 W/m·K, the thermal diffusivity ranges from 0.20 to 0.72 mm 2 /s, and volumetric heat capacity ranges from 0.86 to 2.00 MJ/m 3 ·K. Thermal strain measurements were used to estimate the linear thermal expansion coefficient to be 6·10 –4 –9·10 –2 °C -1 from 40 to 300 °C. These measured properties were used in a thermomechanical model to estimate near-field stresses an hour and 10 years after waste emplacement; the borehole was found to be stable. Thermal loading after 10 years was predicted to elevate local pore pressures by 1–1.5 MPa. The laboratory measurements coupled with analyses are the first attempts at performance assessment characterization for this first of its kind potential repository setting with this chosen host rock.

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

Temperature-Dependent Thermal and Mechanical Properties of a Wire Arc Additively Manufactured Low Transformation Temperature Steel

Recent research has studied the use of low transformation temperature (LTT) martensite steel as feedstock for wire arc additive manufacturing (WAAM) and low tensile residual stresses or compressive residual stresses were detected in the printed walls. These residual stress states help to improve printed product properties such as fatigue strength and corrosion resistance. However, the thermal and mechanical properties of WAAM printed LTT martensite steel walls are largely unknown. In this work, a printed LTT martensite steel was characterized for its thermal, metallurgical, and mechanical behavior at room and elevated temperatures. The temperature-dependent specific heat capacity, thermal expansion, atomic lattice spacing, and tensile properties were measured during both heating and cooling and related to observed microstructural features and computational thermodynamics predictions. These results revealed a large hysteresis in the martensitic transformation, with a martensite start temperature of 240 °C and austenite start temperature of 680 °C. Additional thermal cycles and specimen orientation did not affect the printed specimen austenite and martensite transformations. However, it was observed that the printed metal may exhibit tempering embrittlement at about 350 °C but further studies are needed to confirm that. Further, these results suggest that a temperature control of 250 °C to 350 °C during WAAM is needed to maximize the stress reduction potential of the LTT250 martensite steel. Opportunities for future implementation of LTT martensite steels and optimization of additive manufacturing process conditions are identified.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermomechanical properties and microstructures of yttrium hydride

Yttrium hydride is an optimal choice for a high-temperature moderator material in advanced thermal neutron spectrum reactors that require small core volumes. However, a complete database of the thermomechanical properties of yttrium hydride is not available yet, although it is much needed to understand and predict the moderator performance during service in reactors. In this paper, we report the properties of unirradiated bulk yttrium hydride as a function of hydrogen concentration—including density, crystal structure, specific heat capacity, thermal diffusivity, thermal conductivity, hardness, elastic/shear moduli, Poisson’s ratio, fracture strength, microstructure, and thermal stability—providing a baseline measurement for the subsequent neutron irradiation response study of yttrium hydride. Furthermore, the recommended empirical treatment of the data is suggested. In addition, other properties (i.e., hydrogen retention, thermal hydrogen migration, and irradiation response) that needs to be investigated are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Thermophysical properties and reversible phase transitions in yttrium hydride

In this study, the thermophysical properties of yttrium hydrides were investigated as a function of temperature (room temperature [RT] to 700°C) and hydrogen concentration (H/Y ratio ranges from 1.52 to 1.93). The results indicate that at the temperatures below 300°C, the hydrogen content did not have a significant influence on the thermal expansion, while the specific heat capacity, the thermal diffusivity, and the calculated thermal conductivity were slightly higher for the larger H/Y ratio. Between 300°C and 700°C, a reversible second-order endothermic transition in all measured thermal properties was observed. It was also found that the onset temperatures of the observed transition varied, with the composition having inverse dependence on the hydrogen content. The phase transition from ( α - Y + δ -YH x ) mixed phase to the δ -YH x single phase was excluded from the main contributors to the observed transition. An attempt was made to explain the behavior of the thermophysical properties at higher temperatures by considering the order–disorder transition as a result of hydrogen redistribution.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhancing thermal conductivity of UO 2 with the addition of UB 2 via conventional sintering techniques

We report that uranium dioxide has been the primary fuel type used in light water reactors for more than 40 years and proven to be reliable and robust. However, the Fukushima-Daiichi nuclear accident has motivated new work evaluating fuels with characteristics promoting accident tolerance, including enhanced thermal conductivity. Recently, additives have been investigated to increase thermal conductivity, but research has been largely focused on non-fissile additions. This study investigated the use of fissile additives to not only increase the thermal conductivity but also increase the uranium loading. Uranium diboride was chosen as the additive for this study due to its promising corrosion behavior as well as its significantly higher thermal conductivity at 573 K (25 Wm -1 K -1 ) when compared to UO 2 (7 Wm -1 K -1 ). Uranium diboride powder was fabricated via the arc melting technique and a ball milling process prior to mixing with UO 2 in a 90/10 wt% UO 2 /UB 2 ratio. Green bodies were made using a uniaxial die and subjected to a traditional pressureless sintering technique at 2073 K in argon. Sintered samples were analyzed via laser flash analysis for thermal diffusivity and differential scanning calorimetry for specific heat capacity in order to calculate thermal conductivity. The samples displayed an increase of 36-55% in thermal conductivity between 323 K and 1273 K when compared to the benchmark samples (pure UO 2 ) as reported in open literature.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Performance and properties evolution of near-term accident tolerant fuel: Cr-doped UO 2

Chromium-doped UO 2 fuel has received significant interest due to the ability for chromium to produce pellets with large average grain size (>30 μm), which has shown to increase fission gas retention during operation. Sintering of chromium-doped UO 2 pellets was pursued with oxygen potential and sintering atmosphere controlled to tailor the final microstructure of the material. Chromium additions in this study ranged from 750 to 7800 ppm. Cr concentrations were studied pre and post sintering using Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES). Effects of chromium content on lattice parameter and microstructure were examined with X-ray diffraction (XRD) and scanning electron microscopy (SEM). Contraction of the UO 2 lattice parameter was observed, as well as enlargement of grain size with increasing chromium content up to 4900 ppm Cr 2 O 3 . In addition, SEM indicated Cr incorporation within the matrix and the formation of chromium oxide precipitates throughout the microstructure at high Cr concentrations. Evaluation of thermophysical properties of Cr-doped UO 2 pellets were conducted up to 1200 °C to illustrate their evolution with increased dopant concentration and microstructural changes. The results show that grain size is maximized at 52 μm with Cr 2 O 3 concentration equal to 4900 ppm; however, grain size decreases at higher Cr 2 O 3 concentrations. No significant changes were observed in specific heat capacity, linear thermal expansion, and coefficient of thermal expansion compared to undoped UO 2 . The thermal conductivity also decreased through the incorporation of Cr 2 O 3 dopants above 750 ppm and is shown to be ~15 % lower than reported UO 2 values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Mechanisms of stored energy release in silicon carbide materials neutron-irradiated at elevated temperatures

Understanding the stored energy release behavior of SiC is crucial for the design of SiC-based fuel cladding for light water reactors because stored energy release affects response during accident conditions. Differential scanning calorimetry was used to evaluate the stored energy of monolithic SiC and SiC fiber–reinforced SiC matrix composite variants following neutron irradiation under light water reactor–relevant dose and temperature conditions. The tests were performed at heating rates of 0.5, 3, and 20 K/min up to 1,273 K. The onset temperature of the energy release roughly corresponded to the irradiation temperature, and energy release was delayed as the heating rate increased. The monolithic and composite specimens exhibited similar stored energy release behavior up to ~1,000 K, and above that temperature, the energy release depended more on material type. The energy release measured in this study is below the material-specific heat capacity at temperatures below ~1,000 K but exceeds it under certain material and annealing conditions at temperatures above ~1,000 K. The amount of irradiation-induced volumetric swelling of the specimens was an indication of the total stored energy. Based on this observation, the energy release behavior was described by a swelling recovery model.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermophysical properties of FLiBe using moment tensor potentials

Fluoride salts are prospective materials for applications in some next-generation nuclear reactors and their thermophysical properties at various conditions are of interest. Experimental measurement of the properties of these salts is often difficult and, in some cases, unfeasible due to challenges from high temperatures, impurity control, and corrosivity. Therefore, accurate theoretical methods are needed for fluoride salt property prediction. In this work, we used moment tensor potentials (MTP) to approximate the potential energy surface of eutectic FLiBe (66.6% LiF – 33.3% BeF2) predicted by the ab initio (DFT-D3) method. Here, we then used the developed potential and molecular dynamics to obtain several thermophysical properties of FLiBe, including radial distribution functions, density, self-diffusion coefficients, thermal expansion, specific heat capacity, bulk modulus, viscosity, and thermal conductivity. Our results show that the MTP potential approximates the potential energy surface accurately and the overall approach yields very good agreement with experimental values. The converged fitting can be obtained with less than 600 configurations generated from DFT calculations, which data can be generated in just 1200 core hours on today's typical processors. The MTP potential is faster than many machine learning potentials and about one order of magnitude slower than widely used empirical molten salt potentials such as Tosi/Fumi.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Predicting thermophysical properties of molten salts in the MgCl 2 -NaCl-KCl-LiCl system with a shell-model potential

Ternary eutectic salts composed of MgCl 2 , NaCl, and KCl, referred to as MNK salts, have recently emerged as promising candidates as high-temperature heat transfer fluids and thermal energy storage media. Here we performed classical molecular dynamics (MD) simulations to predict the densities, specific heat capacities, viscosities, and ionic self-diffusivities for MNK salts over a wide temperature range. The impact of LiCl additive on their thermophysical properties was also investigated. To capture the electronic polarization of Cl anions by neighboring cations, we developed a novel shell-model potential using the force-matching method and a dataset of ab initio calculated interatomic forces. Our extensive MD simulations predict structure and properties for pure salts and binary/ternary salt mixtures in the MgCl 2 -NaCl-KCl-LiCl system in overall good agreement with available experimental and theoretical data, which corroborates the accuracy and reliability of our developed potential.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Material properties of aqueous potassium acetate solutions for use in liquid desiccant air conditioning

We present thermophysical properties of aqueous potassium acetate solutions relevant to their application as a liquid desiccant in air-conditioning systems. Liquid desiccant air conditioners could provide up to 80% energy savings compared to high-efficiency vapor compression air conditioners. However, the commonly used liquid desiccants, particularly chloride salt solutions, are highly corrosive. This precludes the use of metallic components, necessitating specialized plastics and thereby driving up cost, weight, and limiting operational temperature and pressure ranges. Potassium acetate has been identified as a less corrosive alternative, potentially enabling broader material compatibility in LDAC components. In this study we systematically measured and modelled key thermophysical properties of KAc solutions density, vapor pressure, viscosity, specific heat capacity, phase behavior, and diffusion coefficient across a range of concentrations (10 - 70wt%) and temperatures. For instance, KAc exhibits a vapor pressure of 3.1 kPa at 50wt% and 40degrees C, demonstrating dehumidification capability comparable to chloride salts. By providing an extended dataset and associated models, this work advances the understanding needed to design energy-efficient, corrosion mitigating LDAC system.

36 MATERIALS SCIENCE↗