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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Effect of Sn microalloying on the nucleation of L1 2 Al 3 Zr precipitates in a dilute aluminum-zirconium alloy

While L1 2 -Al 3 Zr nanoprecipitates provide a balance between strengthening and good electrical conductivity, the precipitation of L1 2 -Al 3 Zr in aluminum requires aggressive heat treatments. An improved age-hardening response was observed during isochronal aging of an Al-0.24Zr (wt%) alloy when microalloyed with Sn. A new mechanism termed Low melting point Element-Assisted Nucleation (LEAN) is proposed to explain the lower temperature nucleation of L1 2 -Al 3 Zr precipitates observed in this alloy based on the addition of a low melting point element, such as Sn. Characterization verified the first-principles density functional theory prediction that Zr and Sn atoms cluster during homogenization owing to the favorable binding energy of Zr-Sn-vacancy triplets. Direct microstructural observations revealed these clusters form Sn nanoprecipitates that assist the nucleation of L1 2 -Al 3 Zr at 200°C, where L1 2 -Al 3 Zr precipitation is not expected due to the low diffusivity of Zr atoms in Al. At higher temperatures (≳350°C), the acceleration of L1 2 -Al 3 Zr precipitation is driven by faster Zr diffusion in Al with Sn microalloying and the nuclei formed via the LEAN mechanism. In conclusion, this combination of mechanisms explains the improvement in age hardening through L1 2 -Al 3 Zr precipitation with Sn microalloying.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Correlating inter-particle forces and particle shape to shear-induced aggregation/fragmentation and rheology for dilute anisotropic particle suspensions: A complementary study via capillary rheometry and in-situ small and ultra-small angle X-ray scattering

Predicting the stability of suspensions composed of anisotropic particles is difficult due to the complexity and interplay of hydrodynamic and colloidal forces. For example, it is not well understood how non-spherical particle shapes affect suspension-rheological responses. This study presents evidence showing how the stacking of boehmite platelets dispersed in aqueous solution leads to moderate shear thinning, even at low boehmite mass fractions. Wide angle X-ray, small angle X-ray, and ultra-small angle X-ray scattering were used to simultaneously monitor changes to the size and fractal dimensions of boehmite aggregates from 6 – 10,000 Å as the sample was recirculated through an in situ capillary rheometer. The latter also provided simultaneous measurements of the viscosity of the suspensions. Computational fluid dynamics modeling of the apparatus was used to provide a more rigorous analysis of the fluid flow. In addition to shear-induced aggregation/fragmentation correlated to a complicated balance between hydrodynamic and colloidal forces, the results indicate that orientationally-dependent interactions, arising from non-spherical boehmite aggregate sub-units, may explain the relatively large experimental viscosity when the hydrodynamic force is small compared to colloidal forces. Ultimately, the results from this study can provide a foundation for future work investigating particle shape effects on colloidal and hydrodynamics forces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Modeling copper precipitation hardening and embrittlement in a dilute Fe-0.3at.%Cu alloy under neutron irradiation

The neutron irradiation in light water reactors can induce precipitation of nanometer sized Cu clusters in reactor pressure vessel steels. The Cu precipitates impede dislocation gliding, leading to increase of yield strength (hardening) and upward shift of ductile-to-brittle transition temperature (embrittlement). In this work, cluster dynamics modeling is used to model the entire Cu precipitation process (nucleation, growth, and coarsening) in a Fe-0.3at.%Cu alloy under neutron irradiation at 300 °C. The evolution of the Cu cluster number density and mean radius predicted by the modeling agrees well with experimental data reported in literature for the same alloy under the same irradiation conditions. The predicted precipitation kinetics are used as input for a dispersed barrier hardening model to correlate the microstructural evolution with the radiation hardening and embrittlement in this alloy. The predicted radiation hardening agrees well with the mechanical test results in literature. In conclusion, the limitation of the model and future improvement directions are also discussed in this work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Rehydration of metastudtite in the alteration kinetics of α– and β–U 3 O 8 in dilute aqueous solutions of hydrogen peroxide

The formation of alteration phases on uranium ore concentrates and used nuclear fuels under oxidizing conditions is key to understanding the potential mobility of radionuclides in the environment and designing optimal storage conditions of materials. However, the time-dependent distribution of alteration phases on α– and β–U 3 O 8 under oxidizing conditions has yet to be explored. Here, in this study, crystalline powders of α– and β–U 3 O 8 were submerged in aqueous solutions of hydrogen peroxide (1.6 × 10 −1 to 5.4 × 10 −5 M) with aliquots of solution and solid removed for analysis at 1, 8, 15, 22, 29, 36, 46, 58, 71, and 83 days. Within one day there is significant alteration of U 3 O 8 to the uranyl peroxide metastudtite, [(UO 2 )(O 2 )(H 2 O) 2 ], that is replaced by studtite, [(UO 2 )(O 2 )(H 2 O) 2 ]·2H 2 O, within a week regardless of the polymorph of U 3 O 8 or the initial concentration of H 2 O 2 in solution, as determined by partial least squares regression (PLSR) of Raman spectra collected from the solids. A dissolution/reprecipitation mechanism is proposed for both the alteration of U 3 O 8 to metastudtite and the subsequent alteration of both U 3 O 8 and metastudtite to studtite. The two polymorphs of U 3 O 8 exhibit similar rates and extents of alteration over time. The rehydration of metastudtite to studtite has not been previously reported and highlights the need for future work to determine the mechanism by which metastudtite is converted to studtite and what other conditions facilitate this rehydration.

Alteration of U3O8↗
DOE OSTI2017

CaCoSO diluted magnetic antiferromagnet semiconductor as efficient thermoelectric materials

Highlights: • CaCoSO exhibit direct (Γ{sup v}- Γ{sup c}) gap of about 2.187 eV for spin-up (↑). • CaCoSO exhibit direct (K{sup v}-K{sup c}) gap of about 1.187 eV for spin-down(↓). • An indirect gap (Γ{sup v}-K{sup c}) of about 0.4 eV for the spin-polarized CaCoSO. • Small gap turn CaCoSO to be as promising candidate for thermoelectric materials. - Abstract: We have reported the thermoelectric properties of the recently synthesized CaCoSO single crystal by Salter et al. in 2016. It is quite interesting to mention that CaCoSO single crystals exhibit a direct energy gap (Γ{sup v}- Γ{sup c}) of about 2.187 eV for the spin-up (↑) channel, which turns out to be a (K{sup v}-K{sup c}) direct gap of about 1.187 eV for the spin-down (↓) channel, resulting in an indirect gap (Γ{sup v}-K{sup c}) of about 0.4 eV for the spin-polarized CaCoSO single crystal. Such a small gap makes CaCoSO a promising candidate for thermoelectric materials. Calculations reveal a remarkable finding that the CaCoSO single crystal exhibits high electrical conductivity, low thermal conductivity and a large Seebeck coefficient; therefore, based on these findings, the CaCoSO single crystal may be considered an efficient thermoelectric material. The electron clouds of CaO{sub 3}S{sub 4} and CoS{sub 3}O exhibit a planar shape with conjugated electron orbitals and exhibit a strong covalent Ca−O, Co−O bonding. This is another factor which makes CaCoSO a promising candidate for thermoelectric materials, since covalent bonding is more favorable for the transport of the carriers than ionic bonding. CaO{sub 3}S{sub 4} and CoS{sub 3}O are the main sources for the thermoelectric generator in CaCoSO. Therefore, based on the above findings, we can conclude that CaCoSO could be a promising thermoelectric material.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Supported ionic liquid membranes (SILMs) with exceptional selectivity and permeability for dilute CO 2 separations

Supported ionic liquid membranes (SILMs), containing phosphonium ionic liquids with aprotic N-heterocyclic anions (AHA ILs) in an inert inorganic support, were tested under both dry and humidified (40 % RH) mixed-gas conditions down to 420 ppm CO 2 in N 2 at 35 °C. In the dry case, the best performing IL, triethyl(octyl)phosphonium 4-bromopyrazolide ([P 2228 ][4-BrPyra]) exhibited mixed-gas CO 2 permeabilities and CO 2 /N 2 permeability selectivities as high as 26,800 barrer and 7,000, respectively. In the presence of humidity, the CO 2 permeability and CO 2 /N 2 selectivity increased to 49,100 barrer and 13,200, respectively, and these are the highest reported combination in the literature. Humidity amplifies CO 2 permeabilities and CO 2 /N 2 permeability selectivities through increases in CO 2 capacity due to bicarbonate formation and through faster mobility of the mobile carrier from decreased viscosity. Furthermore, N 2 permeability stayed roughly invariant in the presence of humidity, likely from competing effects of viscosity reduction and lower N 2 solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗