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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Chemical and environmental stability of monazite-cheralite solid solutions Ln 1-2 x Ca x Th x PO 4 (Ln = Pr, Nd; x = 0–0.15): A thermodynamic study

Monazite-cheralite ceramics are a promising waste form for actinides. To elucidate the long-term behavior of this matrix in aqueous solutions, this study measured thermodynamic data for Th-rhabdophanes Ln 1-2 x Ca x Th x PO 4 ·nH 2 O (with Ln = Pr, Nd; x = 0–0.15) and the associated anhydrous monazite-cheralites Ln 1-2 x Ca x Th x PO 4 . Further, solubility experiments at 298K and high temperature oxide melt solution calorimetry were combined for calculation of ΔG$^°_f$, ΔH$^°_f$ and S$^°_m$ of Th-rhabdophanes and associated monazite-cheralites. Standard solubility constants were employed in a geochemical simulation using the PHREEQC software, the results of which confirmed the high chemical stability of the monazite-cheralite phases and supported their use as a specific conditioning matrix for the long-term immobilization of actinides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Super-porous Pt/CuO/Pt hybrid platform for ultra-sensitive and selective H 2 O 2 detection

A super-porous Pt/CuO/Pt hybrid electrode is demonstrated with extremely high sensing performance parameters for the hydrogen peroxide (H 2 O 2 ) detection. A unique physiochemical approach is adapted for the fabrication of 3-D super-porous Pt/CuO/Pt sensing platform. Here, the super-porous Pt/CuO/Pt hybrid platform demonstrates a superior sensitivity of 16,694 µA mM -1 cm -2 with a limit of detection of 2.91 nM (S/N = 3). It also demonstrates an excellent selectivity against the interfering molecules such as NaCl, fructose, ascorbic acid, citric acid, dopamine and glucose with a wide linear range. The demonstrated performance ranks the Pt/CuO/Pt hybrid platform as one of the best H 2 O 2 sensors as summarized in the Table 2. The super-porous CuO layer is fabricated by a dynamic hydrogen bubbling technique of electrochemical deposition and metallic Pt NP decoration is achieved by the physical vapor deposition (PVD) and post-annealing. The super-porous CuO layer offers a drastically improved electrochemical active surface area, and the Pt NP decoration offers a significantly improved conductivity and improved charge accumulation for the H 2 O 2 reduction. The DFT simulations confirm the predominance of CuO over Cu 2 O and Pt over Pd for the H 2 O 2 detection based on the adsorption energy, density of states and charge accumulation calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding the setting and hardening process of wollastonite-based brushite cement. Part 2: Influence of the boron and aluminum concentrations in the mixing solution

The mixing solution of wollastonite-based brushite cement is a phosphoric acid solution containing metallic cations and borax. This work complements a previous study devoted to the influence of the H{sub 3}PO{sub 4} concentration, Ca/P and liquid-to-solid (l/s) ratios on the setting and hardening process of the binder by providing new insight into the role of aluminum and boron. Boron retards the setting and decreases the heat released during the process. It also contributes to reduce the macroporosity of the hardened material but yields to poor compressive strength. With aluminum in the mixing solution, the mechanical properties are greatly improved thanks to the precipitation of an amorphous aluminophosphate which increases the density of the cement matrix. But aluminum alone leads to fast setting. A joint addition of boron and aluminum to the mixing solution makes it possible to get a material with optimized properties both in fresh and hardened states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A microstructural investigation of a Na2SO4 activated cement-slag blend

The reactivity and early strength of cement:slag binders is usefully enhanced by the addition of sodium sulfate though the underlying mechanisms of the relationship between the enhanced hydration reactions and the structural aspects of the strength behavior remain unclear. In this study, microstructural development in the presence of Na{sub 2}SO{sub 4} was investigated utilizing mercury intrusion porosimetry (MIP), NMR relaxometry, and XRD. Increased rates of early strength development and decreased rates of late strength development due to the presence of added Na{sub 2}SO{sub 4} were linked to effects on capillary porosity refinement. While degree of hydration at later age was shown to have been lower in the presence of Na{sub 2}SO{sub 4}, and may have been responsible for the higher capillary porosity, a clear alteration in the pathway of microstructural development had occurred with inhibition to hydration of the slag component due to earlier microstructural development proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Numerical Simulations of High Prandtl Number Liquid Jets Impinging on a Flat Plate

In this work, 3D simulations of oil jets impinging on a flat, heated wall are presented. The numerical setup uses the Volume of Fluid (VoF) method to model the two-phase flow. A careful grid definition across the liquid film, along with the use of the Conjugate Heat Transfer (CHT) approach allowed local heat transfer to be solved with fine resolution at the wall. Variations of liquid flow rate, liquid temperature and surface temperature allow to cover a wide range of local Reynolds and Prandtl numbers (226 < Re < 2850, 77 < Pr < 161). Resulting surface-averaged heat transfer compares very well with experimental measurements conducted in a previous study. In-depth analysis of the flow has identified expected features from the literature. In particular, the impact of jet axial velocity profiles on the heat transfer distribution in the stagnation zone was clearly stated. The increase in heat transfer when warming the liquid film was also reproduced and explained by a decrease in oil viscosity and an increase in film velocity. All those effects were taken into account in correlations for stagnation and local values of Nusselt number. A grid sensitivity study was also conducted, showing that if the grid solving the thermal boundary layer in the stagnation zone can be coarsened without impacting local and surface-averaged predictions of heat transfer, a minimum resolution (2 to 3 cells) within the thermal boundary layer is however required for an accurate prediction of heat transfer.

conjugate heat transfer↗
DOE OSTI2022

A performance comparison between GaInP-on-Si and GaAs-on-Si 3-terminal tandem solar cells

The pursuit of ever-higher solar cell efficiencies has focused heavily on multijunction technologies. In tandem cells, subcells are typically either contacted via two terminals (2T) or four terminals (4T). Simulations show that the less-common three-terminal (3T) design may be comparable to 4T tandem cells in its compatibility with a range of materials, operating conditions, and methods for subcell integration, yet the 3T design circumvents shading losses of the 4T intermediate conductive layers. This study analyzes the performance of two superstrate 3T III-V-on-Si (III-V//Si) tandem cells: One has slightly greater current contribution from the Si bottom cell (GaInP//Si) and the other has substantially greater current contribution from the GaAs top cell (GaAs//Si). Our results show that both tandem cells exhibit the same efficiency (21.3%), thereby demonstrating that the third terminal allows for flexibility in the selection of the top cell material, similar to the 4T design.

14 SOLAR ENERGY↗
DOE OSTI2020

Mesoscale informed parameter estimation through machine learning: A case-study in fracture modeling

Scale bridging is a critical need in computational sciences, where the modeling community has developed accurate physics models from first principles, of processes at lower length and time scales that influence the behavior at the higher scales of interest. However, it is not computationally feasible to incorporate all of the lower length scale physics directly into upscaled models. This is an area where machine learning has shown promise in building emulators of the lower length scale models, which incur a mere fraction of the computational cost of the original higher fidelity models. We demonstrate the use of machine learning using an example in materials science estimating continuum scale parameters by emulating, with uncertainties, complicated mesoscale physics. Additionally, we describe a new framework to emulate the fine scale physics, especially in the presence of microstructures, using machine learning, and showcase its usefulness by providing an example from modeling fracture propagation. Our approach can be thought of as a data-driven dimension reduction technique that yields probabilistic emulators. Our results show well-calibrated predictions for the quantities of interests in a low-strain simulation of fracture propagation at the mesoscale level. Furthermore, on average, we achieve ~10% relative errors on time-varying quantities like total damage and maximum stresses. Successfully replicating mesoscale scale physics within the continuum models is a crucial step towards predictive capability in multi-scale problems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Growth of GaAs on single-crystal layered-2D Bi 2 Se 3

This article demonstrates the successful growth of cubic GaAs (111) on single-crystal 2D layered Bi 2 Se 3 (0001) substrates achieved using a cubic ZnSe buffer layer. This growth sequence was chosen based upon observed reactions between Bi 2 Se 3 (0001) substrates and both Ga and Zn. For the conditions used in our MOCVD reactor, triethylgallium (TEGa) interacts strongly with Bi 2 Se 3 to form Ga 2 Se 3 , which can disrupt the nucleation and growth of GaAs. Therefore, a buffer layer is needed which prevents Ga-Bi 2 Se 3 interactions while simultaneously providing a suitable growth surface for GaAs. ZnSe was chosen because it is lattice-matched to GaAs, and can be created by annealing the Bi2Se3 under a diethylzinc (DEZn) flux. A sample utilizing this growth sequence has been grown, characterized and exfoliated as a possible pathway toward reducing the substrate cost for III-V devices such as solar cells.

14 SOLAR ENERGY↗
DOE OSTI2021

Surface Conversion of Single-Crystal Bi 2 Se 3 to β-In 2 Se 3

In this work, we demonstrate that the surface layers of single-crystal layered-2D Bi 2 Se 3 can be converted to layered-2D rhombohedral ß-In 2 Se 3 by annealing under a trimethylindium (TMIn) flux. Samples were prepared in a metalorganic chemical vapor deposition (MOCVD) chamber, then transferred under vacuum to a surface analysis chamber for analysis with low-energy electron diffraction (LEED) and Auger electron spectroscopy. Additional ex situ characterization included x-ray diffraction, transmission-electron microscopy (TEM), energy dispersive x-ray spectroscopy (EDS) elemental mapping, and Raman spectroscopy. The resulting single-crystal ß-In 2 Se 3 adopts the rhombohedral crystal structure (space group R-3m) and orientation of the underlying Bi 2 Se 3 , and the excess Bi atoms generated by this process create an underlying region of Bi-rich Bi x Se y . Due to the difference in bandgap between Bi 2 Se 3 and In 2 Se 3 , this conversion reaction presents a pathway to lateral heterojunctions if only selected regions are converted by masking the surface to spatially define the TMIn exposure. The conversion may also have implications for heteroepitaxy, because the in-plane lattice constants of Bi 2 Se 3 and In 2 Se 3 (0001) surfaces match those of InP and GaAs (111), respectively, and the natural cleavage planes of a layered-2D crystal facilitate substrate removal and reuse.

14 SOLAR ENERGY↗
DOE OSTI2021

Effects of sample bias on adhesion of magnetron sputtered Cr coatings on SiC

Swelling of SiC at 300 C due to in-service neutron irradiation causes tensile residual stresses in coatings which are expected to adversely affect the performance of coated SiC composite fuel cladding for light water reactors. Matching the coating swelling with the substrate, a solution common for thermal expansion, is not practical in the case of neutron irradiation. Biasing samples during magnetron sputtering deposition induces compressive residual stress which may counteract this. In this study, chromium coatings were deposited on SiC by DC magnetron sputtering with no external heating at bias voltages of –50V, –75V, and –100V. The effects of the bias voltage on morphology, residual stress, microstrain, texture, and adhesion are shown. The low deposition temperature resulted in the coating microstructure evolution following an energetic particle bombardment dominated trend. Additionally, at the two lower bias voltages knock-on implantation dominated increasing the residual stress and microstrain while at the highest bias voltage, thermal spike migration allowed for defect relaxation. When the knock-on induced compressive residual stress exceeded 0.8 GPa microcrack formation in the SiC substrate decreased coating adhesion. While no microcracks formed at the lowest bias voltage, insufficient atomic mobility during coating growth lead to voids forming in the coating. A balance is needed to form void-free coatings that have high compressive residual stress.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-Efficiency Silicon Heterojunction Solar Cells: Materials, Devices and Applications

Photovoltaic (PV) technology offers an economic and sustainable solution to the challenge of increasing energy demand in times of global warming. The world PV market is currently dominated by the homo-junction crystalline silicon (c-Si) PV technology based on high temperature diffused p-n junctions, featuring a low power conversion efficiency (PCE). Recent years have seen the successful development of Si heterojunction technologies, boosting the PCE of c-Si solar cells over 26%. This article reviews the development status of high-efficiency c-Si heterojunction solar cells, from the materials to devices, mainly including hydrogenated amorphous silicon (a-Si:H) based silicon heterojunction technology, polycrystalline silicon (poly-Si) based carrier selective passivating contact technology, metal compounds and organic materials based dopant-free passivating contact technology. The application of silicon heterojunction solar cells for ultra-high efficiency perovskite/c-Si and III-V/c-Si tandem devices is also reviewed. In the last, the perspective, challenge and potential solutions of silicon heterojunction solar cells, as well as the tandem solar cells are discussed.

14 SOLAR ENERGY↗
DOE OSTI2022

Efficient light-trapping in ultrathin GaAs solar cells using quasi-random photonic crystals

Ultrathin solar cells reduce material usage and allow the use of lower-quality materials thanks to their one order of magnitude smaller thickness than their conventional counterparts. However, efficient photonic light-trapping is required to harvest the incident light efficiently for an otherwise insufficient absorber thickness. Quasi-random photonic crystals are predicted to have high efficient light-trapping while being more robust under angle and thickness variations than simple photonic crystals. In this study, we experimentally demonstrate a light-trapping solution based on quasi-random photonic crystals fabricated by polymer blend lithography. We control the average lattice parameter by modifying the spin-coating speed. We demonstrate an ultrathin GaAs cell of 260 nm with a rear quasi-random pattern with submicron features, and a J sc = 26.4 mA/cm 2 and an efficiency of 22.35% under the global solar spectrum.

14 SOLAR ENERGY↗