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1,091 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hydrous SiO 2 in subducted oceanic crust and H 2 O transport to the core-mantle boundary

Subduction of oceanic lithosphere transports surface H 2 O into the mantle. Recent studies show that dense SiO 2 in the form of stishovite, an abundant mineral in subducted oceanic crust at depths greater than ~270 km, has the potential to host and transport a considerable amount of H 2 O into the lower mantle, but the H 2 O storage capacity of SiO 2 phases at high pressure and temperature remains uncertain. We investigate the hydration of stishovite and its higher-pressure polymorphs, β-stishovite and seifertite, with in situ X-ray diffraction experiments at high pressures and temperatures. The H 2 O contents in SiO 2 phases are quantified based on observed increases in unit cell volume relative to the anhydrous SiO 2 system. Density functional theory (DFT) computations permit calibration of water content as a function of volume change based on interstitial substitution of H 2 O. Regression of our experimental data indicates an H 2 O storage capacity in stishovite of ~3.5 wt% in the transition zone and shallow lower mantle, decreasing to about 0.8 wt% at the base of the mantle. We find that SiO 2 -bearing subducted oceanic crust can accommodate all the H 2 O in slab lithosphere that survives sub-arc dehydration. Hydration of silica phases in subducted oceanic crust and their unparalleled capacity to host significant amounts of H 2 O even at high mantle temperatures provides a unique mechanism for transport and storage of water in the deepest mantle.

58 GEOSCIENCES↗
DOE OSTI2024

Investigation of ion irradiation effects on mineral analogues of concrete aggregates

Irradiation can cause prominent damage to reactor concrete aggregates leading to amorphization, strength and modulus decrease, radiation induced volume expansion (RIVE) and micro-cracking, which limits their long-term performance. Here, to develop an improved understanding of irradiation effects in concrete, three mineral analogues of concrete aggregates (limestone, marble and quartzite) were irradiated by 5.5 MeV He ions and 13 MeV Ni ions to surface doses of 0.011 displacements per atom (dpa) and 0.23 dpa, respectively, at room temperature. The two different ion species allow irradiation spectrum effects (ionizing and displacive) to be examined. Irradiation induced cracks were observed in He irradiated limestone and marble, and Ni irradiated quartzite. Full amorphization was observed in Ni irradiated quartzite with 14.3 % RIVE, and ∼25 % hardness and modulus decrease, while almost no change was observed in He irradiated quartzite except 4.35 % RIVE, revealing a possible ionization enhanced diffusion effect for high energy light ions. Furthermore, partial amorphization was observed in Ni irradiated marble and limestone matrix with a 12 % hardness decrease in marble while no amorphization was observed for He irradiation with a 20 % hardness increase in limestone matrix. The role of knock-on damage and irradiation spectrum on amorphization, volumetric expansion and mechanical property changes are discussed. Moreover, the onset and critical doses for amorphization and RIVE in quartz are obtained for ion irradiations at room temperature. The dose dependence of RIVE exhibits a delay compared to the amorphization behavior. The superior irradiation resistance of calcite phase compared to quartz phase implies there could be advantages to using calcareous aggregates and lowering the usage of siliceous aggregates for concrete in nuclear power plants for extended operation beyond 60 years. However, other effects such as corrosion, aging and reactions during severe accidents should also be considered, and further investigations are needed.

Amorphous↗
DOE OSTI2023

Mitigation of shunt in poly -Si/SiO$_{x}$ passivated interdigitated back contact monocrystalline Si solar cells by self-aligned etching between doped fingers

Polycrystalline silicon on silicon oxide (poly-Si/SiO x ) passivating contacts can be used for ultra-high-efficiency interdigitated back contact (IBC) monocrystalline silicon solar cells. We evaluate the use of intrinsic poly-Si for the region that isolates the p- and n-type fingers at the back side of IBC devices. To mitigate shunt across the isolation region between the doped p- and n-type fingers, we demonstrate self-aligned subtractive processing by etching the poly-Si in the isolation region using SF6 plasma followed by etching in a tetramethylammonium hydroxide (TMAH) solution. After removal of the poly-Si, the isolation region was passivated with SiN x and Al 2 O 3 , which resulted in an 11.7% increase in the fill factor in a 19.8% efficient device. Furthermore, we evaluate the limitations of this device through Suns-V oc analysis and simulations using SunSolve and Quokka3 solar cell simulation software. Through Quokka3, we show that the most significant efficiency losses come from junction recombination current (J 02 ) in the isolation region between doped fingers. We predict that the cell efficiency can be most improved with reduced J 02 through better isolation of heavily doped fingers by etching the isolation region deeper into the bulk or through enhanced surface chemical passivation in this region.

14 SOLAR ENERGY↗
DOE OSTI2023

Mechanistic Insights on Permeation of Water over Iron Cations in Nanoporous Silicon Oxide Films for Selective H 2 and O 2 Evolution

Electrocatalysts encapsulated by an ultrathin and semipermeable oxide layer offer a promising avenue for efficient, selective, and cost-effective production of hydrogen through photoelectrochemical water splitting. This architecture is especially attractive for Z-scheme water splitting, for which a nanoporous oxide film can be leveraged to mitigate undesired, yet kinetically facile, reactions involving redox shuttles, such as aqueous iron cations, by limiting transport of these species to catalytically active sites. In this work, molecular dynamics simulations were combined with electrochemical measurements to provide a mechanistic understanding of permeation of water and Fe(III)/Fe(II) redox shuttles through nanoporous SiO 2 films. It is shown that even for SiO 2 pores with a width as small as 0.8 nm, water does not experience any energy barrier for permeating into the pores due to a favorable interaction with hydrophilic silanol groups on the oxide surface. In contrast, permeation of Fe(III) and Fe(II) into microporous SiO 2 pores is limited due to high energy barriers, which stem from a combination of distortion and dehydration of the second and third ion solvation shells. Furthermore, our simulations and experimental results show that SiO 2 coatings can effectively mitigate undesired Fe(III)/Fe(II) redox reactions at underlying electrodes by attenuating permeation of iron cations, while allowing water to permeate and thus participate in water splitting reactions. In a broader context, our study demonstrates that selectivity of solvated cations can be manipulated by controlling the pore size and surface chemistry of oxide films.

14 SOLAR ENERGY↗
DOE OSTI2025

Nanoscopic Plugs Block Hydrogen Crossover in Submicron Thick Proton-Conducting SiO 2 Membranes for Water Electrolysis

Zero-gap electrolyzers based on submicron thick proton-conducting oxide membranes (POMs) represent a promising approach to increasing the efficiency of H 2 production from water electrolysis while moving away from conventional perfluorosulfonic acid (PFSA) membranes. A critical barrier to the commercialization of such electrolyzers is that the ultrathin nature of POMs, which is necessary to achieve low cell resistance, makes them more susceptible to defects that can lead to unacceptably high rates of H 2 crossover. Herein, we demonstrate an approach to mitigate this problem through selective deposition of carbon-containing silicon oxide (SiO x C y ) “nanoplugs” into the defects of submicron thick SiO 2 membranes using a facile electrochemically mediated deposition process. Selective deposition of nanoplugs within the defects was verified by multiple characterization techniques, while scanning electrochemical microscopy (SECM) was used to confirm selective plugging of H 2 -crossover hotspots associated with defects at identical locations. Thanks to the use of nanoplugs, the H 2 permeance of 250 nm thick SiO 2 membranes was reduced by 5 to 6 orders of magnitude compared to the unmodified atomic layer deposition (ALD) SiO 2 membranes while having negligible impact on the ionic resistance of the membrane. These plug-modified membranes also enabled safe and stable operation of a zero-gap full cell electrolysis cell, in contrast to cells lacking nanoplugs that produced anode effluent streams having H 2 concentrations near or exceeding the lower flammability limit (LFL) of H 2 . Furthermore, beyond water electrolysis, this defect-sealing strategy has the potential to be broadly implemented in other applications, such as fuel cells and flow batteries, offering a versatile solution to mitigate crossover-related performance losses.

ALD SiO2↗
DOE OSTI2020

Strength of porous α-SiO 2 in a shock loaded environment: Calibration via Richtmyer–Meshkov instability and validation via Mach lens

The strength of brittle porous media is of concern in numerous applications, for example, earth penetration, crater formation, and blast loading. Thus, it is of importance to possess techniques that allow for constitutive model calibration within the laboratory setting. The goal of the current work is to demonstrate an experimental technique allowing for strength assessment of porous media subjected to shock loading, which can be implemented into pressure-dependent yield surfaces within numerical simulation schemes. As a case study, the deviatoric response of distended α-SiO 2 has been captured in a tamped Richtmyer–Meshkov instability (RMI) environment at a pressure regime of 4–10 GPa. Hydrocode simulations were used to interpret RMI experimental data, and a resulting pressure-dependent yield surface akin to the often employed modified Drucker–Prager model was calibrated. Simulations indicate that the resulting jet length generated by the RMI is sensitive to the porous media strength, thereby providing a feasible experimental platform capable of capturing the pressurized granular deviatoric response. Furthermore, in efforts to validate the RMI-calibrated strength model, a set of Mach-lens experiments was performed and simulated with the calibrated pressure-dependent yield surface. Excellent agreement between the resulting Mach-lens length in experiment and simulation provides additional confidence to the RMI yield-surface calibration scheme.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Facet Suppression in (100) GaAs Spalling via Use of a Nanoimprint Lithography Release Layer

Controlled spalling is an emerging technique developed for fast, scalable wafer reuse, but for the commonly used (100) GaAs substrate system, the process leaves large facets ranging from 5-10 µm on the wafer surface. Removing them for wafer reuse requires a costly re-polishing step that limits the cost savings that can be achieved with spalling as a wafer reuse technique. In this study, we investigate facet suppression in spalling of (100) GaAs by redirecting the fracture front along features created by buried nanoimprint lithography (NIL)-patterned SiO 2 . We show successful facet suppression using patterns that result in favorable fracture along the SiO 2 /GaAs interface. The results from this work show NIL patterned interlayers are a promising method for faceting suppression in (100) GaAs spalling.

controlled spalling↗
DOE OSTI2023

Shrinkage, microstructure, and mechanical properties of sintered 3D-printed silica via stereolithography

Stereolithography has been used to create ceramic parts with complex geometry that is difficult to achieve with conventional fabrication techniques. Here this study used stereolithography to print silica honeycomb structures with a commercial Formlabs Form2 printer. The printed samples were sintered at different temperatures, and the print shape was retained up to 1300°C, but significant distortion from partial melting occurred at 1400°C. Higher sintering temperatures lead to more shrinkage, but it is non-uniform among directions, with the open cell plane shrinking more than the dense plane of the sample. As expected, the density of samples also increases with the sintering temperature. At higher sintering temperatures, there is an increase in cristobalite and a decrease in quartz, tridymite, and amorphous silica. Regarding mechanical properties, the out-of-plane compressive strength is approximately one order of magnitude higher than the in-plane compressive strength. When compressed along the out-of-plane direction, the samples sintered at lower temperatures surprisingly exhibit higher strength, which is explained by the micro-cracking mechanism. As expected, the samples sintered at higher temperatures display higher strength when compressed along the in-plane direction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fused silica optics damage from downstream intensification on laser-induced damage precursors

Management and control of damage initiation and growth on high-value National Ignition Facility (NIF) optics are critical to its operation. Cone-shaped features are currently being used on the input surfaces to arrest growth of exit surface damage by creating “shadows.” Light refracted from the walls of the cones interferes with the incident beam at the exit surface to create an intensified annulus. Significant exit surface damage was observed at the locations of these annuli. Analysis showed that this damage is consistent with a recently reported new mechanism that degrades damage resistance by dispersing damage precursors over the surface upon exposure to UV laser radiation. This has significant implications for the design and operation of high-energy and power laser systems such as the NIF.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Passivated Contacts for Direct Wafer Product (Final Technical Report)

This TCF project developed a thin-oxide (SiO 2 )/polycrystalline silicon (poly-Si) passivated contact solar cell on CubicPV's (formally 1366 Technologies, Inc.) Direct Wafer® Product (DWP) kerfless wafers. The project used two NREL-developed technologies described in U.S. Patent No. 9,911,873, Hydrogenation of Passivated Contacts and U.S. Patent Application Serial No. 15/890,172, Doped Passivated Contacts . The project was motivated by a potential higher efficiency cell (compared to a PERC cell) using passivated contacts on the ultra-low cost kerfless wafers grown using the Direct Wafer process. The hope was to accelerate market adoption of the cell and wafer by delivering the lowest LCOE in the PV industry. The project tested both n-type and p-type SiO 2 /poly-Si passivated contacts grown by thermal oxidation and plasma enhanced chemical vapor deposition (PECVD) of the poly-Si layer on DWP with varying wafer resistivities. Both deposition techniques are industry standards and thus economically viable methods for commercializing the contacts. The results indicated that both n-type and p-type poly-Si passivated contacts can be formed on polycrystalline DWP wafers, but implied open-circuit voltages (i Voc ) were limited to below 0.65 mV (compared with ~ 730 mV on n-Cz wafers). Diffusion of H to the Si/SiO 2 /poly-Si interface was key to obtaining high i Voc values. In this study, H was diffused from a high-temperature SiN x layer deposited over the poly-Si layer during a high-temperature firing step, similar to one used for screen printed metals. The study concluded that poly-Si passivated contacts on DWP wafers passivated the surface of the wafers as well as PERC passivated surfaces, which use a less expensive dielectric layer stack. The project showed that Direct Wafer Product wafers grown by CubicPV could produce high i Voc values (~0.647 mV), which could produce a cell over 20% efficient with proper processing and metallization. These cells, though not economically viable in 2024 as a stand-alone cell, could be integrated with a wide-bandgap top solar cell to form a two-junction tandem cell that could be viable under certain circumstances. This is because the bottom cell of a 30%, two-terminal tandem only needs to be a 20% cell under one-sun conditions. Thus, the DWP could be an ideal low-cost wafer for tandems. The project also revealed that a TOPCon type cell could be formed on a p-type DWP wafer using a P-diffused emitter and a p-type poly-Si contact. In fact, the p-type version of the poly-Si contact out-performed the n-type version for a variety of wafer resistivities, from highly doped to lowly doped. This curiosity requires more work to understand because on Cz wafers, the n-type poly-Si contact is of much higher quality than the p-type version.

14 SOLAR ENERGY↗
DOE OSTI2022

Spectral Radiative Properties of Polydispersed SiO 2 Particle Beds

The focus of this work is on the measurement and analysis of the radiative properties of polycrystalline SiO 2 particle beds with various layer thicknesses. The particles are polydispersed with average diameters of 222, 150, and 40 μm . The spectral, directional–hemispherical reflectance and transmittance of the particle bed are measured at wavelengths from 0.4 to 1.8 μm using a monochromator, and the reflectance measurement is extended to 15 μm using a Fourier-transform infrared spectrometer. Particles are closely packed between two transparent windows for measuring the radiative properties. In the visible and near-infrared region up to 1.8 μm, the inverse adding–doubling method yields the effective absorption and scattering coefficients. The results suggest that short wavelength absorption needs to be included in modeling the behavior of particle beds due to multiple scattering. A discrete-scale Monte Carlo ray-tracing method is developed to model the radiative properties by assuming monodispersed spherical particles, and the simulated results compare well with measurements. The effective absorption and scattering coefficients of the particle beds obtained from the independent scattering theory are compared to those from the inverse method. As a result, the impact of dependent scattering on the packed beds is observed for smaller-sized particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗