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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

PVDF-based backsheet cracking: Mapping in situ phase evolution by X-ray scattering

One of the most common polymers used in commercial photovoltaic backsheets is polyvinylidene fluoride (PVDF). However, recent reports have shown the potential for PVDF-based backsheets to crack and fail prematurely. Previous work has suggested that polymer phase changes play a role in the failure mechanism. Here, in situ wide-angle X-ray scattering maps are used to show that α- to β-phase transformations occur at crack tips in aged PVDF-based backsheets under stretching. Substantial β-phase formation is shown to be associated with strain hardening. In addition, our work demonstrates that β-phase formation is not required for crack growth and only occurs at crack tips when plastic deformation of the PVDF polymer has occurred. In conclusion, the anisotropy in the strength of aged PVDF-based backsheets is linked to the lack of β-phase formation when strain is applied to aged backsheets in the transverse direction.

14 SOLAR ENERGY

Nanomolar Sensitivity Chirality Transfer from Designed Helical Repeat Proteins to Achiral CdS Nanorods

Bridging chirality across length scales with inorganic− organic hybrid materials is a rapidly expanding area of research. Here, we establish asymmetry at CdS nanorod (NR) interfaces using a designed helical repeat protein bearing four cysteine residues (DHR- 4Cys). Hydrophobic NRs are transferred into water with glycine, and then glycine is displaced by DHR-4Cys, leveraging the thiophilicity of cadmium. Circular dichroism (CD) in the visible, coincident with CdS electronic transitions, reveals a chiral DHR-4Cys:CdS interface. Here, the dissymmetry factor [g-factor = 4.5 × 10 −4 (short NRs) and 5.0 × 10 −4 (long NRs)] is weakly dependent on the NR length, and CD persists at nanomolar protein loadings. Additionally, control experiments demonstrate that DHR-4Cys:CdS NR chirality is dictated by the local coordination of Cys with no significant contribution from the chiral secondary structure of the protein (g-factors of short and long Cys:CdS NRs are 4.8 × 10 −4 and 4.0 × 10 −4 , respectively). Together with far-UV CD and transmission electron microscopy, which provide evidence of preserved protein structure, these results provide the first demonstration that a structurally defined protein can induce chirality in CdS nanocrystals while maintaining protein structure at biologically relevant concentrations.

Cadmium sulfide

Stability of the fcc phase in shocked nickel up to 332 GPa

Despite making up 5-20 wt.% of Earth’s predominantly iron core, the melting properties of elemental nickel at core conditions remain poorly understood, due largely to a dearth of experimental data. We present here an in situ X-ray diffraction study performed on laser shock-compressed samples of bulk nickel, reaching pressures up to ~ 500 GPa. Hugoniot states of nickel were targeted using a flat-top laser drive, with in situ X-ray diffraction data collected using the Linac Coherent Light Source. Rietveld methods were used to determine the densities of the shocked states from the measured diffraction data, while peak pressures were determined using a combination of measured particle velocities, shock transit times, hydrodynamic simulations, and laser intensity calibrations. We observed solid compressed face-centered cubic (fcc) Ni up to at least 332 ± 30 GPa along the Hugoniot—significantly higher than expected from the majority of melt lines that have been proposed for nickel. We also bracket the partial melting onset to between 377 ± 38 GPa and 486 ± 35 GPa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Reduced methane emissions in transgenic rice genotypes are associated with altered rhizosphere microbial hydrogen cycling

Rice paddies significantly contribute to atmospheric methane (CH 4 ). Here, we show that two independent rice genotypes overexpressing genes for PLANT PEPTIDES CONTAINING SULFATED TYROSINE (PSY) reduce cumulative CH 4 emissions by 38% (PSY1) and 58% (PSY2) over 70 days of growth compared with controls. Genome-resolved metatranscriptomic data from PSY rhizosphere soils reveal lower ratios of gene activities for (mostly hydrogenotrophic) CH 4 production versus consumption, decreased activity of H 2 -producing genes, and increased activity of bacterial H 2 oxidation pathways. Metabolic modeling using metagenomic and metabolomic data predicts elevated H 2 oxidation and suppressed H 2 production in the PSY rhizosphere. Assembled genomes of rhizosphere H 2 -oxidizing bacteria are enriched in genes utilizing gluconeogenic acids compared with H 2 -producing counterparts, and their activities are likely stimulated by elevated levels of gluconeogenic acids, primarily amino acids, in PSY root exudates. Overall, our study indicates that decreased CH 4 emissions are due to a lower amount of H 2 available for hydrogenotrophic methanogenesis and provides a powerful strategy to mitigate CH 4 emissions from increasingly widespread rice cultivation.

Biological and medical sciences

Impact of nitrogen on lithium-induced corrosion and cracking of RAFM steel

The emergence of private fusion enterprises, combined with advancements in U.S. and EU ITER-TBM as well as EU DEMO liquid breeder blanket concepts, has renewed focus on the materials challenges. This study examines the compatibility of reduced activation ferritic/martensitic (RAFM) steel in liquid Lithium (Li) containing various Nitrogen (N) concentrations, tested at 600 and 700 °C for 500 and 1000 h under static conditions. Microstructural characterization revealed the corrosion-induced dissolution and precipitation in Li containing 0.082 and 0.17 wt.% N at 600 °C, while limited dissolution and precipitation were observed in N-gettered Li using zirconium (Zr) and titanium (Ti) foils at 600 °C. Tensile testing at room temperature after Li exposure revealed a decrease in strength and ductility of the RAFM steel as a function of N content in Li. Severe embrittlement was observed after 500 h in Li containing 0.17 wt.% N at 600 °C and after 500 h in hot-gettered Li at 700 °C. Chromium (Cr) depletion from the steel matrix was observed, leading to the formation of M6C-type carbides on the surface identified by electron microscopy (SEM), X-ray diffraction (XRD), in agreement with thermodynamic calculations. These findings highlight the critical materials challenges posed by liquid Li breeder blanket concepts, emphasizing the need for improved strategies to address Li-induced dissolution, precipitation, and steel embrittlement due to N contamination of the coolant.

Romedenne, Marie [ORNL] (ORCID:0000000317936561)

Sustainability pathways for perovskite photovoltaics

Solar energy is the fastest-growing source of electricity generation globally. As deployment increases, photovoltaic (PV) panels need to be produced sustainably. Therefore, the resource utilization rate and the rate at which those resources become available in the environment must be in equilibrium while maintaining the well-being of people and nature. Metal halide perovskite (MHP) semiconductors could revolutionize PV technology due to high efficiency, readily available/accessible materials and low-cost production. Here we outline how MHP-PV panels could scale a sustainable supply chain while appreciably contributing to a global renewable energy transition. Further, we evaluate the critical material concerns, embodied energy, carbon impacts and circular supply chain processes of MHP-PVs. The research community is in an influential position to prioritize research efforts in reliability, recycling and remanufacturing to make MHP-PVs one of the most sustainable energy sources on the market.

14 SOLAR ENERGY

A dataset for understanding self-reported patterns influencing residential energy decisions

Household occupant behavior and decision-making dynamics substantially impact technology uptake and residential building energy performance. Although significant research underscores the importance of social science in energy studies, few public data with representative samples on household energy decision-making patterns are available. The dataset (UPGRADE-E: Understanding Patterns Guiding Residential Adoption and Decisions about Energy Efficiency) presents 9,919 responses from U.S. residents of single-family and small multifamily homes. Derived from a national-scale internet survey, the dataset contains 391 variables: demographics, building characteristics, home modifications, willingness to adopt new technologies, motivations for making changes, barriers, program participation, trusted information sources, and energy scenarios. Responses were validated via internal consistency checks and comparison with other U.S. national scale datasets. UPGRADE-E advances knowledge of household energy related decision-making, tying demographics, home modifications, and self-reported cognitive drivers together at a scale and breadth that has not been previously achieved. Policymakers and researchers at local, regional, and national levels may leverage this dataset to understand drivers influencing the adoption of key technologies in U.S. homes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Modeling the impact of extreme weather events and future climate on the radiologically contaminated sites of Enewetak Atoll

Enewetak Atoll underwent 43 historical nuclear tests from 1948 to 1958, including the first hydrogen bomb test, resulting in a substantial nuclear material fallout contaminating the Atoll and the lagoon waters. The radionuclide fallout material deposited in lagoon sediments and land soil will remain for decades to come. With intensifying climate and extreme weather events, the possibility of redistribution of deposited radionuclide material has become a great concern. This study uses a numerical modeling approach to estimate the potential elevated radionuclide concentrations that can be distributed during storm events under current and future climates. We simulated three historical storm scenarios that are most likely to impact Atoll’s environment and remobilize the radionuclide-bound sediments. WRF-ARW was used to reconstruct these storm scenarios under current year (2015) and future year (2090) climates. Storm-induced ocean hydrodynamics conditions were generated using FVCOM. FVCOM-ICM was externally coupled to simulate the fate and transport of radionuclides. Given that the 239 Pu is the largest inventory of the lagoon and Atoll islands, the model results show the highest average 239 Pu concentration that an island may be exposed to is 3.25E-4 Bq/m 3 (becquerel per cubic meters), which is an increase of 84 times the average baseline/existing 239 Pu concentration without the storm conditions. The overall increase in 239 Pu average over all the islands of Atoll is about 20 folds relative to the baseline concentration. Despite the high relative increase ratios, the significantly low activity concentrations may not pose an immediate exposure risk. However, due to the limitations of the study and uncertainties/biases in the historical data used, further research supported by field surveys to better characterize the current contamination level may be needed to make more accurate predictions.

54 ENVIRONMENTAL SCIENCES

Actinide oxide dissolution in tributyl phosphate

An alternative to dissolving used nuclear fuel (UNF) in an acidic solution during reprocessing is direct dissolution in an organic solution, which would eliminate an aqueous dissolution step, decrease the amount of nitrate needed, and reduce the facility size. The flowsheet for this potentially less expensive alternative is first to voloxidize the UNF to remove fission product gases and form an oxide. After voloxidation, the UNF is then dissolved in an organic solution containing an extractant mixed with an aliphatic diluent and pre-equilibrated with nitric acid. The organic solution then goes through a solvent extraction process to recover the uranium and/or other desired radionuclides. This work qualitatively studied the dissolution of actinide oxides (UO2, NpO2, and PuO2) in tributyl phosphate using UV-Vis-NIR absorbance spectroscopy to ascertain dissolution behavior. Initial studies included material that is otherwise difficult to dissolve in only nitric acid, specifically CeO2, that is sometimes used as a dissolution surrogate for PuO2. This work confirmed that CeO2, NpO2, and PuO2 are difficult to dissolve in 30 vol% TBP-dodecane pre-equilibrated with 10 M HNO3 and will readily dissolve when co-precipitated with U (i.e., the mixed oxides U-Ce, U-Np, and U-Pu), surrogates for voloxidized nuclear fuel.

Gogolski, Jarrod [Savannah River National Laborato

Equation-of-state measured via x-ray phase contrast imaging for Epon 828/DEA epoxy

Epoxies are a broad class of polymer materials often used as adhesive, structural or binding materials. Epon 828 is an epoxy resin that can be polymerized with a variety of curing agents with the choice of curing agent potentially having an effect on the resulting epoxy polymer’s material properties. In this study, the dynamic behavior of Epon 828 epoxy resin cured with diethanolamine (DEA) is investigated through a series of tamped Richtmyer-Meshkov instability (RMI) experiments measured with x-ray phase-contrast imaging. The measured shock and particle velocities are combined with data in the literature to calibrate Mie-Grüneisen equations-of-state (EOS) for portions and combinations of the collective dataset. The calibrated Mie-Grüneisen EOS are validated against particle velocity profiles extracted from published literature using the Eulerian hydrocode CTH. Here, the Mie-Grüneisen EOS fit to only the tamped RMI experimental data presented here most closely follows the particle velocity profile in the published literature.

36 MATERIALS SCIENCE

Caustic Neutralization and Precipitation of Acidic Dissolved Simulated Stainless Steel–Clad Plutonium and Plutonium/Uranium Nuclear Fuel

Simulated dissolved stainless steel (SS) clad Pu and Pu/U nuclear fuel in HNO 3 was neutralized to a free hydroxide (OH - ) concentration of 0.6 M. A thermal neutron poison, Gd, was added to the simulants at concentrations of either ~3 - 6 g/L or ~37 - 38 g/L. The supernate Pu concentration the day of neutralization ranged from 0.48 to 8.75 mg/L. The supernate Pu concentration of a simplified simulant neutralized to 0.6 M OH - above precipitated solids containing Pu was demonstrated to decrease over 18 days. A significant portion of precipitated Pu was found to be insoluble in 8 M HNO 3 at ambient temperature, but essentially quantitative Pu dissolution was achieved in 11.5 M HNO 3 /0.1 M KF at 100 °C. The difficulty in dissolving the Pu precipitate is believed to be due to the formation of refractory PuO 2 •xH 2 O during the neutralization process. Initial Gd concentrations of ~37 – 38 g/L were found to result in a greater Al precipitation when neutralized to 0.6 M OH - than initial Gd concentrations of ~3 – 6 g/L. Physical properties of the resultant slurries were measured and used to calculate limiting flowrates and slurry velocities by gravity only in transfer piping between the Savannah River Site’s H-Canyon Facility and the Concentration, Storage, and Transfer Facility (CSTF). These results were compared to calculated deposition velocities to predict if solids would settle during the transfer. The Newtonian model was found to be reasonable for each diluted slurry evaluated. Deposition velocities of Pu containing slurries are lower than nuclear fuel slurries primarily composed of U due to the high density of Pu solids. In conclusion, dilution of slurries reduces the margin between the slurry and deposition velocities due to the reduction in viscosity because higher viscous forces on the particles promote maintained suspension.

Actinide Neutralization

Purification of U from U-10Mo scrap generated during the fabrication of high performance research reactor fuel

A low enriched U-Mo alloy fuel is under development to replace highly enriched U fuels currently used in United States high performance research reactors. The alloy casting and fuel fabrication processes will generate scrap streams containing low enriched U (LEU) which must be recovered. Solvent extraction processes were designed using the Argonne Model for Universal Solvent Extraction (AMUSE) to purify solutions containing 20 and 50 g/L U. The feed for the solvent extraction processes was prepared from solutions generated from the dissolution of U-10Mo-Zr foils and U-10Mo-Zr-Al mini-plates. The U purification processes were demonstrated using two, 16-stage banks of miniature mixer-settlers. The solvent extraction experiments demonstrated that all design objectives for the U purification processes could be met. The U recovery in the product stream for each flowsheet was ≥99.9%. The flowsheet demonstrations also showed that the purity of the U Product will meet the requirements of the ASTM International C1462-21 specification for LEU metal enriched to less than 20% 235 U. In conclusion, the AMUSE modeling for both flowsheet demonstrations was validated by comparing predicted and measured concentrations of U, Mo, and Zr in the exit streams and stage samples at steady-state conditions in the mixer-settlers.

modified PUREX process

Direct Extraction of Uranium-Lanthanide Oxides in Tributyl Phosphate

Abstract Direct extraction of used nuclear fuel (UNF) in an organic solution could be more efficient than the previous practice with aqueous solutions. However, the UNF would need to be treated via voloxidiation before being processed using solvent extraction. The voloxidation process can form oxide and/or nitrate compounds. This work investigated the dissolution of uranium/lanthanide oxides in 30 vol % TBP diluted in dodecane (pre-equilibrated with 4 M nitric acid) in a glass reactor with air sparging to ascertain the uranium/lanthanide oxide dissolution behavior prior to scaling the process. The uranium/lanthanide oxides were prepared by co-precipitating uranium/lanthanide nitrates with hydroxide and then calcined to form a mixed oxide. While the relative concentrations of the lanthanides are not representative of used nuclear fuel, the neodymium and erbium allowed ease of tracking dissolution with visible spectroscopy. Cerium was used as a surrogate for plutonium. The dissolution rate of the oxides was similar but incomplete. A miniscule amount of cerium, as cerium oxide, took several months to slowly dissolve; however, when co-precipitated with uranium and other lanthanides, a significant amount of cerium dissolved readily.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W