Effects of intermetallic compounds on the thermophysical properties of uranium –palladium alloys
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Uranium dioxide (UO 2 ) composites with uranium diboride (UB 2 ) and uranium tetraboride (UB 4 ) have been proposed as advanced fuel candidates due to their high thermal conductivity, high melting point, high fissile density and their ability to incorporate a built-in burnable poison by tailoring the targeted 10 B/ 11 B ratio. As such, it is important to assess the fabrication, and thermal and micromechanical properties of such composites. In this work, UO 2 -UB 2 and UO 2 -UB 4 samples with boride phase fractions of 5, 15 and 30 wt% were fabricated to high densities (above 95 % theoretical density) via spark plasma sintering (SPS). This enabled sintering at relatively low temperatures and short timescales. SPS also aided in maintaining the target phase fractions of the samples as reactions between the constituent phases were suppressed due to the short timescales and reducing environment during sintering. Here, thermal diffusivity measurements from 299 to 1273 K were conducted through laser flash analysis (LFA). The diffusivity increased as a function of boride weight fraction, and UB 2 additions increased the thermal diffusivity of the composites more than UB 4 additions. Assessment of the LFA results indicated in-situ reactions between the UO 2 and boride phases that suppress the thermal diffusivity occur above 800 K for all samples. Oxidation of the boride phase was proposed as the underlying reaction. This was supported by thermodynamic assessments from the literature, as well as microstructural, crystallographic, and nanoindentation characterization performed on these samples.
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Molten salts are leading candidates for high-temperature heat transfer fluids (HTFs) for thermal energy storage and conversion systems in concentrated solar power (CSP) and nuclear energy power plants. The ability to probe molten salt thermal transport properties in both stationary and flowing status is important for the evaluation of their heat transfer performance under realistic operational conditions, including the temperature range and potential degradation due to corrosion and contamination. However, accurate thermal transport properties are usually challenging to obtain even for stagnant molten salts due to different sources of errors from convection, radiation, and corrosion, let alone at flowing status. To the best of authors’ knowledge, there is no available in-situ technique for measuring flowing molten salt thermal conductivity. Here, we report the first in-situ flowing molten salt thermal conductivity measurement using modulated photothermal radiometry (MPR). We could successfully perform the first in-situ thermal conductivity measurement of flowing molten NaCl-KCl-MgCl 2 in the typical operating temperature (520 and 580 °C) with flow velocities ranging from around 0.3 to 1.0 m s -1 . The relative change of the molten salt thermal conductivity was measured. Gnielinski’s correlation was also used to estimate the heat transfer coefficient h of the flowing NaCl-KCl-MgCl 2 in the given experimental condition. Furthermore, the work showed the potential of the MPR technique serving as an in-situ diagnostics tool to evaluate the heat transfer performance of flowing molten salts and other high-temperature HTFs.
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A new strategy is presented for computing anharmonic partition functions for the motion of adsorbates relative to a catalytic surface. Importance sampling is compared with conventional Monte Carlo.
In the present work, dense (∼100%) Ti 3 SiC 2 composites (TSC) are processed along with 20 vol% of SiC reinforcement (TSC20) via spark plasma sintering at 1400°C, 40 MPa, 15 min, and dynamic vacuum environment. Thermal expansion of both the composites increases from RT to 1273 K and linear fitting of data yields coefficient of thermal expansion (CTE) of 9.4 × 10 −6 K −1 for TSC which decreases to 8.3 × 10 −6 K −1 for TSC20. With increase in temperature from RT to 773 K, specific heat for both TSC and TSC20 composites is observed to increase from 598-850 J.kg −1 .K −1 , whereas thermal diffusivity and thermal conductivity values decrease with testing temperature. SiC reinforcement in Ti 3 SiC 2 resulted in improved thermal diffusivity from 12.7 to 18.7 mm 2 .s −1 and thermal conductivity from ∼57 to ∼79 W.m −1 .K −1 at RT. However, with increase in temperature (773 K), thermal diffusivity and conductivity decrease, and values get closer for both TSC and TSC20 composites. Further extrapolation of thermal conductivity data showed cross-over at ∼973 K due to domination of phonon-phonon scattering and thus lower values of thermal conductivity for TSC20 than TSC. Therefore, reduced CTE and higher thermal conductivity of TSC20 make it a viable choice for applications in high temperatures.
It is reported that the self-forming CrTaO 4 oxide scale can protect refractory high-entropy alloys from oxidation, superior to Cr 2 O 3 . In this paper, the phase stability, mechanical, and thermal properties of three polymorphous phases of CrTaO 4 are systematically investigated from first-principles density functional theory calculations. The mechanical properties predicted using the strain–energy methods indicated that all three phases are mechanically stable. The temperature dependence of elastic constants and polycrystalline moduli of three phases demonstrated the thermal softening as temperature increase. The Helmholtz-free energies as a function of volume and temperature are derived from phonon dispersions within the quasi-harmonic approximation at six strained volumes. The calculated apparent bulk coefficients of thermal expansion of these three phases are evaluated, the highest value approximately 13.4× 10 –6 K –1 within a temperature range of 500–2000 K for the rutile I4 1 md phase. The lattice thermal conductivity calculated by the Debye–Callaway model suggested that the rutile type I4 1 md phase has the lowest value of approximately 2.1 W/m/K at 1800 K. The other two phases, C2/m and P2/c, exhibit higher values due to relatively lower Grüneisen parameters and larger phonon velocities. The melting point of CrTaO 4 is predicted to be between 1975 and 2449 K using ab initio molecular dynamics simulations. Finally, this work provides a comprehensive theoretical understanding of the thermodynamic, mechanical, and thermal properties for the new material CrTaO 4 and serves as an example of a viable computational design strategy for improved oxidation resistance of refractory alloys at high temperatures.
Thermal conductivity, specific heat, viscosity, and density are critical properties for understanding thermal hydraulics of heat transfer fluids (HTFs) like molten salts. These properties are important for design and safe operation of any HTF loop. These characterizations are required to benchmark computational chemical models that are used to predict properties, but existent data are limited. These measurements are extremely difficult to make due to the operating temperature range and corrosive properties of the salt.Density measurements are needed to predict volumetric behavior. Thermal expansion mismatches can cause mechanical failure of structural materials and important components that are in contact with the molten salt. All of these properties are related to heat transfer in HTFs. The heat generated in a reactor must be high enough to derive power; however it should not be so hot that it cannot be safely removed via the HTF at an appropriate rate. It is important to understand the thermal hydraulics required to operate at the desired power generation level and to avoid situations in which thermal shifts can damage components,cause failure of structural materials, and/or lead to accidents. Understanding these thermal properties can aid in component and process design and can contribute to optimized operational and safety parameters.
Molten salt reactors (MSRs) are among the advanced concepts pursued under the generation IV nuclear energy technology umbrella. However, the basic concept is not new and was first developed as part of the effort to power aircrafts with nuclear energy in the 1950’s. Later in the 1960’s, Oak Ridge National Laboratory (ORNL) built and operated the Molten-Salt Reactor Experiment (MSRE). This reactor used a fluoride salt with uranium as fuel. Fluorides salts are still highly relevant and proposed in several designs. In addition, chloride salts are being considered for MSRs operating in the fast neutron spectrum. This report focuses on chloride salts.
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