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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Hybrid Entanglement Distribution between Remote Microwave Quantum Computers Empowered by Machine Learning

Superconducting microwave circuits with Josephson junctions, the major platform for quantum computing, can only reach the full capability when connected. This requires an efficient protocol to distribute microwave entanglement. While quantum computers typically use discrete-variable (DV) methods for information encoding, the entire continuous-variable (CV) degree of freedom in electromagnetic fields must be utilized to achieve the highest entanglement distribution rate. Here, we propose a hybrid protocol to resolve the incompatibility between DV microwave quantum computers and CV quantum communications. CV microwave entanglement is distributed using optical swapping of optical-microwave entanglement pairs. To interface with DV microwave quantum computers, we further design a hybrid circuit to simultaneously convert and distill high-quality DV entanglement from noisy CV entanglement. The hybrid circuit is trained with machine-learning algorithms, ensuring high entanglement fidelity and generation rate. In conclusion, our work not only provides a practical method to realize efficient quantum links for superconducting microwave quantum computers, but also opens avenues to bridge the gap between DV and CV quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Producing CCD imaging sensor with flashed backside metal film

A backside illuminated CCD imaging sensor for reading out image charges from wells of the array of pixels is significantly improved for blue, UV, far UV and low energy x-ray wavelengths (1-5000.ANG.) by so overthinning the backside as to place the depletion edge at the surface and depositing a thin transparent metal film of about 10.ANG. on a native-quality oxide film of less than about 30.ANG. grown on the thinned backside. The metal is selected to have a higher work function than that of the semiconductor to so bend the energy bands (at the interface of the semiconductor material and the oxide film) as to eliminate wells that would otherwise trap minority carriers. A bias voltage may be applied to extend the frontside depletion edge to the interface of the semiconductor material with the oxide film in the event there is not sufficient thinning. This metal film (flash gate), which improves and stabilizes the quantum efficiency of a CCD imaging sensor, will also improve the QE of any p-n junction photodetector.

Janesick, James R.↗
NASA NTRS1991

CCD imaging sensor with flashed backside metal film

A backside illuminated CCD imaging sensor for reading out image charges from wells of the array of pixels is significantly improved for blue, UV, far UV and low energy x-ray wavelengths (1-5000.ANG.) by so overthinning the backside as to place the depletion edge at the surface and depositing a thin transparent metal film of about 10.ANG. on a native-quality oxide film of less than about 30.ANG. grown on the thinned backside. The metal is selected to have a higher work function than that of the semiconductor to so bend the energy bands (at the interface of the semiconductor material and the oxide film) as to eliminate wells that would otherwise trap minority carriers. A bias voltage may be applied to extend the frontside depletion edge to the interface of the semiconductor material with the oxide film in the event there is not sufficient thinning. This metal film (flash gate), which improves and stabilizes the quantum efficiency of a CCD imaging sensor, will also improve the QE of any p-n junction photodetector.

Janesick, James R.↗
DOE OSTI2025

PV backsheets survey protocol: A framework for geo-spatial field surveys for bulk material characterization and reliability analysis applied across 41 PV systems

As widespread adoption of photovoltaic (PV) technologies continues, understanding the lifetime of modules is paramount to the viability of the industry as an environmentally conscious alternative to traditional energy generation. Although power degradation can affect the total energy production of a module over its lifetime, module safety failures necessitate the removal of a module leading to a loss of not only the particular asset, but the earning potential of the device. Therefore, it is critical to ensure that the components that provide essential safety functions for PV module operate for their entire rated lifetime. PV backsheets provide necessary electrical insulation to the completed device and failure of this component is cause for a immediate removal of the module. Degradation of the PV module backsheet has led to module safety failures in large-scale installations, costing millions of dollars in damages and lost potential revenue. The spatio-temporal degradation of fielded PV modules is important to study in order to identify which modules within installations are experiencing the greatest exposure conditions and in turn have the highest chance of failure. This paper describes a comprehensive field survey protocol developed for monitoring PV module backsheet performance using solely non-destructive methods in commercial PV fields. The protocol establishes a field naming convention, sampling method, data handling requirements, and measurement procedures. By ensuring consistent data collection practices, the field survey protocol enables research groups to obtain data of uniform quality on backsheet performance over multiple years and locations. In this study, the developed protocol was implemented at forty-one PV sites. Eight different types of airside layer backsheet materials including poly(vinylidene fluoride) (PVDF), acrylic PVDF, poly(tetrafluoroethylene-co-hexafluoropropylene-co-vinylidene fluoride) (THV), poly(vinyl fluoride) (PVF), poly(ethylene terephthalate) (PET), fluoroethylene vinyl ether (FEVE), polyethylene naphthalate (PEN), and glass were identified using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. The field survey results show that the spatial distribution of degradation indicators are non-uniform within a particular module, individual site, and across site locations. The degradation of PV modules increased in severity for modules mounted at the edge of rows (across a field) and near the junction box (within a module). This study demonstrates the sensitivity of material performance to exposure length across different materials and climates.

14 SOLAR ENERGY↗
NASA NTRS2004

Biodosimetry as a New Paradigm for Determination of Radiation Risks and Risk-Mitigation in Astronauts Exposed to Space Radiation

Predicting risk of cancer in astronauts exposed to space radiation is challenging partly because uncertainties of absorption of dose and the processing of dose-related damage at the cellular level degrade the confidence of predicting the expression of cancer. Cellular biodosimeters that simultaneously report: 1) the quantity of absorbed dose after exposure to ionizing radiation, 2) the quality of radiation delivering that dose, and 3) the macromolecular profiles related to malignant transformation in cells absorbing that dose would therefore be useful. An approach to such a multiparametric biodosimeter will be reported, This is the demonstration of two dose-responsive field-effects of enhanced protein-expression. In one case, expression of keratin 18 (K18) in cultures of human mammary epithelial cells (HMEC) irradiated with cesium-137 gamma-rays is enhanced following exposure of log phase cells to relatively low doses of 30 to 90 cGy. K18 has been reported by a marker for tumor staging and for apoptosis. In the second case, expression of connexin 43 (Cx43) is increased in irradiated stationary phase cultures of HMEC, indicating enhanced formation of gap junctions. Gap junctions have been reported to be involved in bystander effects following irradiation. It is a biodosimeter for assessing radiogenic damage. It is suggested further that such biomolecular dosimetry may introduce a new paradigm for assessing cancer risk and risk-mitigation in individuals, a requirement for managing radiation health in astronauts during extended missions in space. This new paradigm is built upon the statistical power provided by the use of functional genomics and proteomics represented in combined gene- and protein-expression assays.

Richmond, Robert↗
NASA NTRS1990

Bridgman crystal growth

The objective of this theoretical research effort was to improve the understanding of the growth of Pb(x)Sn(1-x)Te and especially how crystal quality could be improved utilizing the microgravity environment of space. All theoretical growths are done using the vertical Bridgman method. It is believed that improved single crystal yields can be achieved by systematically identifying and studying system parameters both theoretically and experimentally. A computational model was developed to study and eventually optimize the growth process. The model is primarily concerned with the prediction of the thermal field, although mass transfer in the melt and the state of stress in the crystal were of considerable interest. The evolution is presented of the computer simulation and some of the important results obtained. Diffusion controlled growth was first studied since it represented a relatively simple, but nontheless realistic situation. In fact, results from this analysis prompted a study of the triple junction region where the melt, crystal, and ampoule wall meet. Since microgravity applications were sought because of the low level of fluid movement, the effect of gravitational field strength on the thermal and concentration field was also of interest. A study of the strength of coriolis acceleration on the growth process during space flight was deemed necessary since it would surely produce asymmetries in the flow field if strong enough. Finally, thermosolutal convection in a steady microgravity field for thermally stable conditions and both stable and unstable solutal conditions was simulated.

Carlson, Frederick↗
DOE OSTI2026

Magneto-optical study of Nb thin films for superconducting qubits

Among the recognized sources of decoherence in superconducting qubits, the spatial inhomogeneity of the superconducting state and the possible presence of magnetic-flux vortices remain comparatively underexplored. Niobium is commonly used as a structural material in transmon qubits that host Josephson junctions, and excess dissipation anywhere in the transmon can become a bottleneck that limits overall quantum performance. The metal/substrate interfacial layer may simultaneously host pair-breaking loss channels (e.g., two-level systems, TLS) and control thermal transport, thereby affecting dissipation and temperature stability. Here, we use quantitative magneto-optical imaging of the magnetic-flux distribution to characterize the homogeneity of the superconducting state and the critical current density, $j_{c}$, in niobium films fabricated under different sputtering conditions. The imaging reveals distinct flux-penetration regimes, ranging from a nearly ideal Bean critical state to strongly nonuniform thermo-magnetic dendritic avalanches. By fitting the measured magnetic-induction profiles, we extract $j_{c}$ and correlate it with film physical properties and with measured qubit internal quality factors. Our results indicate that the Nb/Si interlayer can be a significant contributor to decoherence and should be considered an important factor that must be optimized.

Datta, Amlan [Ames Lab; Iowa State U.]↗
DOE OSTI2026

Magneto-optical study of Nb thin films for superconducting qubits

Abstract Among the recognized sources of decoherence in superconducting qubits, the spatial inhomogeneity of the superconducting state and the possible presence of magnetic-flux vortices remain comparatively underexplored. Niobium is commonly used as a structural material in transmon qubits that host Josephson junctions, and excess dissipation anywhere in the transmon can become a bottleneck that limits overall quantum performance. The metal/substrate interfacial layer may simultaneously host pair-breaking loss channels (e.g. two-level systems) and control thermal transport, thereby affecting dissipation and temperature stability. Here, we use quantitative magneto-optical imaging of the magnetic-flux distribution to characterize the homogeneity of the superconducting state and the critical current density, j c , in niobium films fabricated under different sputtering conditions. The imaging reveals distinct flux-penetration regimes, ranging from a nearly ideal Bean critical state to strongly nonuniform thermo-magnetic dendritic avalanches. By fitting the measured magnetic-induction profiles, we extract j c and try to correlate it with film physical properties and with measured qubit internal quality factors. Our results indicate that the Nb/Si interlayer can be a significant contributor to decoherence and should be considered an important factor that must be optimized.

Datta, Amlan [Ames National Laboratory; Iowa State↗
DOE OSTI2020

Localization and reduction of superconducting quantum coherent circuit losses

Quantum sensing and computation can be realized with superconducting microwave circuits. Qubits are engineered quantum systems of capacitors and inductors with non-linear Josephson junctions. They operate in the single-excitation quantum regime, photons of $27 \mu$eV at 6.5 GHz. Quantum coherence is fundamentally limited by materials defects, in particular atomic-scale parasitic two-level systems (TLS) in amorphous dielectrics at circuit interfaces.[1] The electric fields driving oscillating charges in quantum circuits resonantly couple to TLS, producing phase noise and dissipation. We use coplanar niobium-on-silicon superconducting resonators to probe decoherence in quantum circuits. By selectively modifying interface dielectrics, we show that most TLS losses come from the silicon surface oxide, and most non-TLS losses are distributed throughout the niobium surface oxide. Through post-fabrication interface modification we reduced TLS losses by 85% and non-TLS losses by 72%, obtaining record single-photon resonator quality factors above 5 million and approaching a regime where non-TLS losses are dominant. [1]M\"uller, C., Cole, J. H. & Lisenfeld, J. Towards understanding two-level-systems in amorphous solids: insights from quantum circuits. Rep. Prog. Phys. 82, 124501 (2019)

Altoé, M Virginia P↗
DOE OSTI2026

Bypassing the yellow phase for extremely stable formamidinium lead iodide perovskite solar cells

INTRODUCTION Formamidinium lead iodide (FAPI) emerged as an ideal material for single-junction perovskite solar cells owing to its near optimal bandgap of 1.45 to 1.5 eV and outstanding thermal stability. However, the photoactive cubic α-phase (3C-FAPI) of FAPI is structurally unstable and undergoes a reconstructive phase transition to the nonperovskite yellow hexagonal δ-phase (2H-FAPI) at ambient temperature. The phase reconstruction from 3C-FAPI to 2H-FAPI could be prevented by alloying methylammonium (MA) or Cs or both at the A-site and Br at the halide site, but this limits long-term durability owing to phase segregation or materials instability. Addressing these challenges requires a rational design strategy to stabilize 3C-FAPI by restricting lattice reconstruction without compromising thermal stability. RATIONALE Two main strategies have emerged to improve the phase stability and film quality of FAPI. Here, the first is a lattice-templating approach, which enables the slow formation of perovskite but it eventually degrades through the formation of yellow phases. The second approach, which has been widely explored, involves additive engineering, using alkyl ammonium halide or mostly chloride-based additives, which provide better control over the crystallization route. However, the FAPI films fabricated using these additives are often alloyed and compromise long-term stability. Moreover, the exact role of Cl has been unclear and speculative, specifically when Cl-based additives are used. Even after using a high additive concentration, the incorporation of Cl in perovskite lattice is rare. RESULTS Guided by synergistic modeling and experimental studies, we developed a coadditive strategy using 15 mol % FACl and 0.5 mol % BA 2 PbI 4 perovskites in combination (where BA is butylammonium) to enable a highly oriented (100) Cl-doped FAPI film with exceptional durability. Synchrotron-based in situ wide-angle x-ray scattering revealed a favorable transition for the coadditive-treated FAPI (FAPI-CA) to the corner-sharing 3C black phase through a progressive transformation through the 2H, 4H, 6H, and 8H phases. Moreover, solid-state 35 Cl nuclear magnetic resonance (NMR) revealed Cl incorporation in the perovskite lattice and, as predicted by modeling, indicated that Cl plays a key role in altering the energetics of both the formation and degradation pathways. The Cl-doped perovskite can completely bypass the expected and energetically favorable degradation pathway via the yellow phase or the 2H-PbI 2 phase. Instead, it undergoes degradation only upon exposure to harsh conditions such as 15-sun illumination and 90°C through the energetically uphill 3R-PbI 2 phase path. A p-i-n device fabricated with FAPI-CA film demonstrated a power conversion efficiency (PCE) of 25.1% with an average of 24.1% (40 devices). The notable film stability translated to other devices and retained 98% of its initial PCE under open-circuit conditions at 85° ± 5°C for 1200 hours. CONCLUSION Our study highlights the decisive role of chloride in regulating both the formation and degradation pathways. This regulation is critical for creating a perovskite film with commercially relevant durability.

Garai, Rabindranath [Rice Univ., Houston, TX (Unit↗
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↗
NASA NTRS1994

Transient nucleate pool boiling in microgravity: Some initial results

Variable gravity provides an opportunity to test the understanding of phenomena which are considered to depend on buoyancy, such as nucleate pool boiling. The active fundamental research in nucleate boiling has sought to determine the mechanisms or physical processes responsible for its high effectiveness, manifested by the high heat flux levels possible with relatively low temperature differences. Earlier research on nucleate pool boiling at high gravity levels under steady conditions demonstrated quantitatively that the heat transfer is degraded as the buoyancy normal to the heater surfaced increases. Correspondingly, it was later shown, qualitatively for short periods of time only, that nucleate boiling heat transfer is enhanced as the buoyancy normal to the heater surface is reduced. It can be deduced that nucleate pool boiling can be sustained as a quasi-steady process provided that some means is available to remove the vapor generated from the immediate vicinity of the heater surface. One of the objectives of the research, the initial results of which are presented here, is to quantify the heat transfer associated with boiling in microgravity. Some quantitative results of nucleate pool boiling in high quality microgravity (a/g approximately 10(exp -5)) of 5s duration, obtained in an evacuated drop tower, are presented here. These experiments were conducted as precursors of longer term space experiments. A transient heating technique is used, in which the heater surface is a transparent gold film sputtered on a qua rtz substrate, simultaneously providing the mean surface temperature from resistance thermometry and viewing of the boiling process both from beneath and across the surface. The measurement of the transient mean heater surface temperature permits the computation, by numerical means, of the transient mean heat transfer coefficient. The preliminary data obtained demonstrates that a quasi-steady boiling process can occur in microgravity if the bulk liquid subcooling is sufficiently high and if the imposed heat flux is sufficiently low. This is attributed to suface tension effects at the liquid-vapor-solid junction causing rewetting to take place, sustaining the nucleate boiling. Otherwise, dryout at the heater surface will occur, as observed.

Merte, Herman, Jr.↗
NASA NTRSDate not supplied

Automatic Boundary-Layer Adaptation of Structured Grids in VULCAN-CFD

In supersonic and hypersonic flow computations, well-resolved boundary layers are essential for accurate quantification of surface heating and transition prediction, particularly via linear stability analysis. Grid design for hypersonic flows with shocks, boundary-layer separation, and/or complex mean flow features incorporating spanwise/azimuthal inhomogeneities is a difficult issue. In comparison to a manual grid adaptation procedure, an autonomous grid adaptation technique offers significant improvements in computing time and solution quality. The VULCAN-CFD solver already includes a validated procedure for automatic adaption of structured grids to the bow shock. The present focus is on implementing an automatic boundary-layer adaptation capability in VULCAN-CFD that adapts structured, multiblock grids to both the bow shock and the boundary layer at the same time. The boundary-layer adaptation algorithm allows the user to specify the number of cells within the boundary layer, along with the input parameters used for detecting the edge of the boundary layer, namely, the variable used in the edge detection criterion,the edge detection method, the detection direction, and the relaxation factor used during the morphing of the grid. The algorithm automatically distributes grid points along the wall-normal direction to achieve a smooth variation in grid spacing from the edge of the boundary layer to a"junction" location within the outer part of the grid. Illustrative results are presented for three different high-speed configurations: the two-dimensional flow over a cylinder at Mach 17.6 and unit Reynolds number of Re=0.38x10^6 m^-1, the axisymmetric flow over a cone-cylinder-flare model at Mach 6.0 and Re = 10.5×10^6 m^-1, and the three-dimensional flow over a blunt, 7-degree half-angle cone at 5-degree angle of attack in a Mach 9.79 flow with Re = 17.1×10^6 m^-1. The automated boundary-layer adaptation is shown to provide an adequate grid topology that is aligned with the bow shock in the outer part of the grid and also resolves the viscous boundary-layer region close to the surface.

boundary layer transition↗
NASA NTRS2000

p-n Junction Diodes Fabricated on Si-Si/Ge Heteroepitaxial Films

A set of photolithographic masks was designed for the fabrication of diodes in the Si-Si/Ge material system. Fabrication was performed on samples obtained from two different wafers: (1) a complete HBT structure with an n (Si emitter), p (Si/Ge base), and an n/n+ (Si collector/sub-collector) deposited epitaxially (MBE) on a high resistivity p-Si substrate, (2) an HBT structure where epitaxial growth was terminated after the p-type base (Si/Ge) layer deposition. Two different process runs were attempted for the fabrication of Si-Si/Ge (n-p) and Si/Ge-Si (p-n) junction diodes formed between the emitter-base and base-collector layers, respectively, of the Si-Si/Ge-Si HBT structure. One of the processes employed a plasma etching step to expose the p-layer in the structure (1) and to expose the e-layer in structure (2). The Contact metallization used for these diodes was a Cu-based metallization scheme that was developed during the first year of the grant. The plasma-etched base-collector diodes on structure (2) exhibited well-behaved diode-like characteristics. However, the plasma-etched emitter-base diodes demonstrated back-to-back diode characteristics. These back-to back characteristics were probably due to complete etching of the base-layer, yielding a p-n-p diode. The deep implantation process yielded rectifying diodes with asymmetric forward and reverse characteristics. The ideality factor of these diodes were between 1.6 -2.1, indicating that the quality of the MBE grown epitaxial films was not sufficiently high, and also incomplete annealing of the implantation damage. Further study will be conducted on CVD grown films, which are expected to have higher epitaxial quality.

Das, K.↗
NASA NTRS2000

Temperature Distribution Within a Defect-Free Silicon Carbide Diode Predicted by a Computational Model

Most solid-state electronic devices diodes, transistors, and integrated circuits are based on silicon. Although this material works well for many applications, its properties limit its ability to function under extreme high-temperature or high-power operating conditions. Silicon carbide (SiC), with its desirable physical properties, could someday replace silicon for these types of applications. A major roadblock to realizing this potential is the quality of SiC material that can currently be produced. Semiconductors require very uniform, high-quality material, and commercially available SiC tends to suffer from defects in the crystalline structure that have largely been eliminated in silicon. In some power circuits, these defects can focus energy into an extremely small area, leading to overheating that can damage the device. In an effort to better understand the way that these defects affect the electrical performance and reliability of an SiC device in a power circuit, the NASA Glenn Research Center at Lewis Field began an in-house three-dimensional computational modeling effort. The goal is to predict the temperature distributions within a SiC diode structure subjected to the various transient overvoltage breakdown stresses that occur in power management circuits. A commercial computational fluid dynamics computer program (FLUENT-Fluent, Inc., Lebanon, New Hampshire) was used to build a model of a defect-free SiC diode and generate a computational mesh. A typical breakdown power density was applied over 0.5 msec in a heated layer at the junction between the p-type SiC and n-type SiC, and the temperature distribution throughout the diode was then calculated. The peak temperature extracted from the computational model agreed well (within 6 percent) with previous first-order calculations of the maximum expected temperature at the end of the breakdown pulse. This level of agreement is excellent for a model of this type and indicates that three-dimensional computational modeling can provide useful predictions for this class of problem. The model is now being extended to include the effects of crystal defects. The model will provide unique insights into how high the temperature rises in the vicinity of the defects in a diode at various power densities and pulse durations. This information also will help researchers in understanding and designing SiC devices for safe and reliable operation in high-power circuits.

Kuczmarski, Maria A.↗
DOE OSTI2021

Computational Fermi Level Engineering and Doping-Type Conversion of Ga2O3 Via Three-Step Processing

Ga2O3 is being actively explored for power electronics, and other applications due to its ultra- wide bandgap and low projected fabrication cost of high-quality crystals. N-type doping of Ga2O3 can be achieved and tuned, but p-type doping faces fundamental obstacles. Successful engineering of Ga2O3 based devices requires critical control of doping density, Fermi level position, providing opportunities for predictive process simulation. We use first-principles defect equilibrium calculations to simulate a 3-step growth- annealing-quench protocol for hydrogen assisted Mg doping in Ga2O3, taking into account the hydrogen- oxygen-water gas phase equilibrium. We predict type conversion to a net p-type regime following O-rich annealing after growth under reducing conditions in the presence of H2. We show that there is an optimal temperature that maximizes the net acceptor density during the equilibrium annealing step for a given Mg doping level. Quenching of non-equilibrium annealed samples then results in a Fermi level EF below mid-gap down to about EV +1.5 eV, creating a significant number of uncompensated neutral MgGa0 acceptors. This type converted Ga2O3 can create significant built-in field in a p-n junction with an adjoining n-type material and could enable vertical MOSFETs.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗
DOE OSTI2022

Microfluidic Uranium Microspheres Production for TRISO and Advanced Fuel Concepts

The purpose of this project was to expand existing internal gelation sol-gel capabilities at PNNL to explore producing uranium dioxide spheres for potential use as fuel kernels in next generation Tri-isotropic (TRISO) particle fuel. This project expands on previous sol-gel efforts at PNNL by (1) increasing the size regime of sphere production from the micro-fluidic range to the milli-fluidic range, and (2) producing uranium spheres. The approach involved first scaling up the channel size of the fluidic system to the millimeter range, with radiation safety considerations in mind; testing and demonstration on non-radioactive surrogate material, cerium oxide; then transitioning to uranium production and finally optimizing system parameters. Commercially available fluidic chips in the desired size range were could not be found, therefore the project designed and fabricated a T-junction with 1mm channels for droplet production. Because the production process is temperature sensitive, prior efforts have involved performing droplet production in a lab freezer. To reduce radiological waste and footprint, two alternative chilling methods were explored using aluminum thermal beads as a chill bath and a custom aluminum block fit to reagent reservoir sizes. Both were successful in the cerium tests, however the aluminum block design outperformed the thermal bead bath and was further adapted for the radiological test and production run in the Radiochemical Processing Laboratory (RPL). Gelation trials were performed to determine an acceptable range of feed solution parameters for the uranium dioxide gels, characterized by R-values, which is determined by the ratio of uranium nitrate to Hexamethylenetetramine (HMTA)/urea in the feed solution. R-values ranging from 1.6-2 were examined in the gelation trials, with only the 1.8 condition being tested in production. The project was successful in demonstrating a proof of concept design for producing uranium dioxide spheres, however further optimization is needed to dial in production parameters and improve sphere quality and homogeneity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1998

Non-Micropipe Dislocations in 4H-SiC Devices: Electrical Properties and Device Technology Implications

It is well-known that SiC wafer quality deficiencies are delaying the realization of outstandingly superior 4H-SiC power electronics. While efforts to date have centered on eradicating micropipes (i.e., hollow core super-screw dislocations with Burgers vectors greater than or equal to 2c), 4H-SiC wafers and epilayers also contain elementary screw dislocations (i.e., Burgers vector = 1c with no hollow core) in densities on the order of thousands per sq cm, nearly 100-fold micropipe densities. While not nearly as detrimental to SiC device performance as micropipes, it has recently been demonstrated that elementary screw dislocations somewhat degrade the reverse leakage and breakdown properties of 4H-SiC p(+)n diodes. Diodes containing elementary screw dislocations exhibited a 5% to 35% reduction in breakdown voltage, higher pre-breakdown reverse leakage current, softer reverse breakdown I-V knee, and microplasmic breakdown current filaments that were non-catastrophic as measured under high series resistance biasing. This paper details continuing experimental and theoretical investigations into the electrical properties of 4H-SiC elementary screw dislocations. The nonuniform breakdown behavior of 4H-SiC p'n junctions containing elementary screw dislocations exhibits interesting physical parallels with nonuniform breakdown phenomena previously observed in other semiconductor materials. Based upon experimentally observed dislocation-assisted breakdown, a re-assessment of well-known physical models relating power device reliability to junction breakdown has been undertaken for 4H-SiC. The potential impact of these elementary screw dislocation defects on the performance and reliability of various 4H-SiC device technologies being developed for high-power applications will be discussed.

Neudeck, Philip G.↗