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DOE OSTI2021

SDSS-IV DR17: final release of MaNGA PyMorph photometric and deep-learning morphological catalogues

ABSTRACT We present the MaNGA PyMorph photometric Value Added Catalogue (MPP-VAC-DR17) and the MaNGA Deep Learning Morphological VAC (MDLM-VAC-DR17) for the final data release of the MaNGA survey, which is part of the SDSS Data Release 17 (DR17). The MPP-VAC-DR17 provides photometric parameters from Sérsic and Sérsic+Exponential fits to the two-dimensional surface brightness profiles of the MaNGA DR17 galaxy sample in the g, r, and i bands (e.g. total fluxes, half-light radii, bulge-disc fractions, ellipticities, position angles, etc.). The MDLM-VAC-DR17 provides deep-learning-based morphological classifications for the same galaxies. The MDLM-VAC-DR17 includes a number of morphological properties, for example, a T-Type, a finer separation between elliptical and S0, as well as the identification of edge-on and barred galaxies. While the MPP-VAC-DR17 simply extends the MaNGA PyMorph photometric VAC published in the SDSS Data Release 15 (MPP-VAC-DR15) to now include galaxies that were added to make the final DR17, the MDLM-VAC-DR17 implements some changes and improvements compared to the previous release (MDLM-VAC-DR15): Namely, the low end of the T-Types is better recovered in this new version. The catalogue also includes a separation between early or late type, which classifies the two populations in a complementary way to the T-Type, especially at the intermediate types (−1 < T-Type < 2), where the T-Type values show a large scatter. In addition, k-fold-based uncertainties on the classifications are also provided. To ensure robustness and reliability, we have also visually inspected all the images. We describe the content of the catalogues and show some interesting ways in which they can be combined.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Imaging Power Losses in CdSeTe Solar Cells

Much of the research on CdSeTe photovoltaics is focused on improving the open-circuit voltage (V oc ) of the solar cell. But solar cells operate at the maximum power point (MPP) rather than at V oc . The recombination processes at MPP may be different than those at V oc , and increasing the power output at MPP is the key to advancing efficiency. Here, we introduce a camera-based PL imaging system that enables power loss analysis under operating conditions and across cm-sized areas covering multiple cells. The instrument is demonstrated with CdSeTe devices having efficiencies greater than 19%. An implied current density versus implied voltage (iJV) curve can be produced at each pixel with <20 µm resolution. We find that regions with high implied open circuit voltage are often those with low implied fill factor, showing that voltage loss analysis at open circuit is not sufficient to understand power losses under operating conditions. Measurement of JV curves as a function of irradiance can also be performed in the system, which allows series resistance-free pseudo JV (pJV) curves to be produced. Comparison of pJV to measured JV and iJV curves allows further analysis of the operational losses, pointing the way to higher efficiency.

14 SOLAR ENERGY↗

DOE OSTI2020

Above-threshold multiphoton photoemission from noble metal surfaces

Exciting solids with intense femtosecond laser pulses prompts electrons of the interrogated material to respond in a highly nonlinear manner, as is evident in the emission of high-order harmonic radiation and photoelectrons with kinetic energies well above that of the driving photons. Such high-field interactions can be resolved, for example, in above-threshold multiphoton photoemission (ATP) spectroscopy. In this work, we interrogate the nonlinear photoelectric responses of the pristine copper, silver, and gold noble metal surfaces in (111) and (100) crystal orientations in the perturbative regime. Using multiphoton photoemission spectroscopy (mPP) excited by finely tuned optical fields, we characterize enhancement of the mPP and ATP yields from (111) surfaces in selected k||-momentum ranges when the occupied Shockley surface (SS) states are (near-)resonantly coupled by multiphoton transitions to image potential (IP) intermediate states in the excitation process. The ATP signal from the IP states of (111) surfaces is largely defined by their formation through polarization of SS electrons; this observation is contrasted with ATP experiments from the Ag(100) surface, for which the SS becomes an unoccupied resonance and the IP states can only be excited from bands with significantly more bulk character. In addition, based on the optical power and nonlinear order-dependent mPP spectra, we provide evidence for ATP being a one-step, rather than a sequential process, as previously postulated.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

High Performing and Durable Pyrophosphate Based Composite Membranes for Intermediate Temperature Fuel Cells [Slides]

Objective: Develop a novel proton conducting electrolyte operating at >200°C with conductivity σ ≥ 100 mScm –1 and RH < 1%. Fabrication of membranes of less than 40μm thickness while retaining high conductivity will result in ASR <0.04 Ωcm 2 . Evaluate membrane durability in terms of crossover, shorting resistance, and open circuit voltage, as well as against temperature cycling. Relevance: Operating FCs in the intermediate temperature range has the potential to greatly reduce cost and simplify water and thermal management. This effort requires novel materials and approaches to meet DOE membrane performance and durability targets. MPP/Polymer composite membranes show promise in early development for application in IT-FCs for transportation applications. Approach: We have demonstrated that both cation dopants and phosphate precursor influence MPP conductivity and identified the most promising MPP compositions for membrane fabrication. The ceramic MPP materials are fabricated as a composite membrane in a 90:10 wt% ratio with Nafion. We have modified our membrane fabrication procedure to improve the density of our membranes. Accomplishments: We demonstrated through-plane membrane conductivity of 95mScm -1 at T > 200°C and RH<0.04bar with a thickness 50μm. We demonstrated FC performance up to 94hrs at 220°C and <1% RH with a 50μm thick membrane exhibiting an OCV of 0.98V and ASR of 0.08 Wcm 2 . Future work: Further decrease in ASR is expected by decreasing the membrane thickness to <40μm. ITPP with higher P:M ratio will be used to increase the conductivity of the starting material. Long term durability will be assessed against DOE technical targets

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2023

Agilent CRADA (Abstract)

The CRADA between Agilent Technologies Inc. and Battelle will focus on five software components as listed below: Prototype 4D Feature Finding functionality with a particular focus on recovering low level features and extending the bottom end dynamic range of IM-MS technology. Compare and contrast developments to current 4D Feature Finding capabilities. Highlight important algorithmic aspects employed. Implement the PNNL saturation correction algorithm. Agilent will give PNNL the needed data file access API and assistance in understanding it implementation and any needed instrumental aspects. Supported high resolution products to include Agilent’s TOF, QTOF and IM-QTOF mass spectrometers. PNNL will then work with Agilent to benchmark performance. Implementation of the PNNL Hadamard de-multiplexing algorithm. Agilent will give provide PNNL the needed date file access API access and as needed assistance in understanding the current Agilent multiplexed IM offering. PNNL will then work with Agilent on benchmark performance. Add ion mobility collision cross sections to existing and new metabolomic libraries for data analysis with Agilent’s informatics program MPP/ID Browser. PNNL will work with Agilent to create a software pipeline that takes data from chemical and metabolic standards and properly formats it for inclusion in MPP accessible libraries, using the collision cross section as a new separation dimension. Improvements of MPP multidimensional matching to identify metabolomic features using multiple characteristics beyond retention time and accurate mass. Most significantly matching will include analyte collision cross section with proposed support for sample fraction or RapidFire cartridge and fragmentation spectra. PNNL will work with Agilent to modify and improve the current MPP analysis pipeline to allow for creating, aligning, and identifying MS features defined by accurate mass, collision cross section and chromatographic retention time. As additional criteria such as fraction or RapidFire cartridge type are supported in the identification process, then they also will become part of the automation workflow. This includes the automation of said system to work with command line program (i.e. not a GUI) sufficient for programmatic execution in a pipeline.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Non-catalytic pyrolysis of associated gas to zero CO 2 hydrogen and high value carbon black

The overall objective of this work is to perform a pre-Front End Engineering Design (pre-FEED) study of the conversion of associated gas produced at an active oil pad of a Bakken oil field producer, to high value carbon black and hydrogen using the Microwave Plasma Pyrolysis of Associated Gas (MPP-AG) process developed by H Quest Vanguard, Inc (HQV). The University of North Dakota’s Center for Process Engineering Research (CPER) collaborated with HQV to complete a design and techno-economic analysis for the MPP-AG deployed at an active Bakken well site flaring an average of 54,000 standard cubic feet per day of AG. The proposed design consists of: • A Microwave Pyrolysis Unit (MPU) which consists of H Quest’s proprietary MPP technology • A patent-pending Gas Conditioning Unit (GCU) designed by the University of North Dakota to condition intermittent and variable flow gas prior to pyrolysis. • An auxiliary unit running on the associated gas to power the GCU and MPU in an “island mode” configuration.

03 NATURAL GAS↗

DOE OSTI2021

Results of the Analyses of SMECT Mercury Sample Collected During Mercury Pump (MB1) Functional Check

A pump added to remove mercury from the sump of the Slurry Mix Evaporator Condensate Tank (SMECT) in DWPF was successfully tested in 2020, resulting in a sample of contaminated mercury obtained from the Mercury Purification Process (MPP) cell. The mercury in the sump of the SMECT was present as a result of steam stripping of sludge slurry in the Sludge Receipt and Adjustment Tank (SRAT) at DWPF. A schematic of the MPP system provided by DWPF personnel is shown in Appendix A. DWPF personnel supplied the following detailed description of the Hg sampling: “The sample provided is the result of DWPF extraction of mercury by means of the Mercury Pump-Water Cart. The Mercury Pump extracted the sample from the SMECT mercury sump. The pump uses pressurized water to transfer a small amount of mercury to a leachate bucket located at the Lab Mercury cell. The mercury and water were allowed to be self separated, and mercury was gravity decanted from the leachate bucket.” DWPF personnel indicate that the leachate bucket is equipped with both a top stopcock/drain and a lower/bottom stopcock/drain from which the mercury was decanted or drained out, while the separated water layer remained above the mercury during draining. The DWPF customer requested SRNL to analyze the sample for the following: gross alpha/nonvolatile beta analysis and perform a Toxicity Characteristic Leaching Procedure (TCLP) per the Environmental Protection Agency's Test Methods for Evaluating Solid Waste: Physical/Chemical Methods, SW-846. While the TCLP was preferred, a Total Metals analysis of the eight Resource Conservation and Recovery Act (RCRA) metals was deemed acceptable.2 The analytical data collected on this mercury sample will be used in planning for sample disposition as well to start a profile for future Hg disposition of Hg collected from steam stripping.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Sub-wavelength optical lattice in 2D materials

Recently, light-matter interaction has been vastly expanded as a control tool for inducing and enhancing many emergent nonequilibrium phenomena. However, conventional schemes for exploring such light-induced phenomena rely on uniform and diffraction-limited free-space optics, which limits the spatial resolution and the efficiency of light-matter interaction. Here, we overcome these challenges using metasurface plasmon polaritons (MPPs) to form a sub-wavelength optical lattice. Specifically, we report a “nonlocal” pump-probe scheme where MPPs are excited to induce a spatially modulated AC Stark shift for excitons in a monolayer of MoSe 2 , several microns away from the illumination spot. We identify nearly two orders of magnitude reduction for the required modulation power compared to the free-space optical illumination counterpart. Moreover, we demonstrate a broadening of the excitons’ linewidth as a robust signature of MPP-induced periodic sub-diffraction modulation. Our results will allow exploring power-efficient light-induced lattice phenomena below the diffraction limit in active chip-compatible MPP architectures.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Symmetry‐Breaking Strategy Yields Dopant‐Free Small Molecule Hole Transport Materials for Inorganic Perovskite Solar Cells with 20.58% Efficiency and Outstanding Stability

Abstract Inorganic perovskites are known for their excellent photothermal stability; however, the photothermal stability of all‐inorganic n‐i‐p perovskite solar cells (PSCs) is compromised due to ion diffusion and free radical‐induced degradation caused by the use of doped spiro‐OMeTAD hole transport materials (HTMs). In this study, two isomeric donor–acceptor–donor (D–A–D) type small molecules, namely HBT and HiBT, were developed and used as dopant‐free HTMs, using 2,1,3‐benzothiadiazole or benzo[d][1,2,3]thiadiazole as acceptor moieties. The HiBT molecule, with its symmetry‐breaking features, exhibits a large dipole moment, enhanced coordination‐active sites, and a well‐aligned energy level structure, all of which contribute to passivating perovskite surface defects and improving free charge separation. As a result, inorganic CsPbI 3 PSCs with HiBT HTM achieved an impressive power conversion efficiency (PCE) of 20.58%, the highest reported for dopant‐free HTM‐based inorganic PSCs. Moreover, the enhanced hydrophobic properties of HiBT molecules, coupled with their ability to passivate perovskite surface defects, contribute to significantly improved device stability. The unencapsulated devices based on HiBT HTM retained over 83% and 80% of their initial efficiency after being stored at 85 °C for 50 days and undergoing maximum power point (MPP) tracking at 85 °C for 1100 h, respectively. These results highlight that the symmetry‐breaking strategy is an exceptionally effective approach for designing efficient, dopant‐free small molecule HTMs, significantly contributing to both the high efficiency and enhanced stability of all‐inorganic PSCs.

Chemistry↗

DOE OSTI2026

Corroborating VNA and thermal measurements of transmission loss on the DIII-D ECH waveguide system

Electron cyclotron heating (ECH) and current drive (ECCD) will play a large role in tokamak-based fusion reactors. At the DIII-D tokamak, 110 GHz microwaves injected into the plasma can provide core heating and current drive as well as impurity control, neoclassical tearing mode mitigation, and breakdown assistance. Understanding the physics of these processes relies on accurate estimates of injected ECH power. DIII-D’s ECH system consists of six MW-class Microwave Power Products (MPP) gyrotron microwave sources. Operating the gyrotrons far from the tokamak removes them from magnetic field interference, so 31.75 mm inner-diameter corrugated waveguides transmit the microwave power the 80 m from the gyrotrons to steerable launchers in the tokamak chamber. Estimates of injected power rely on knowing the generated power at the source and then subtracting transmission loss. Conventional transmission loss measurements based on calorimetric dummy loads are onerous and only possible during extended maintenance periods. This work examines two tools that provide more flexibility for the transmission loss measurements. Furthermore, a resistive temperature detector (RTD) array installed along a waveguide measures heat lost to the transmission line, and low power time domain reflectometry (TDR) measurements with a vector network analyzer (VNA) allows loss measurements without burdensome hardware modifications.

ECH↗

DOE OSTI2024

Work Function Tuning of a Weak Adhesion Homojunction for Stable Perovskite Solar Cells

Perovskite solar cells (PSCs) have demonstrated a comparable efficiency to Si-based cells. However, the buried interface with weak adhesion remains a critical issue since the ion migration enhanced by the built-in electric field at this interface might lead to instability. We report here that adjusting the energy-level alignment at the weak adhesion homojunction interface can mitigate ion migration and thereby enhance the stability and photovoltaic performance of PSCs. Functional molecules with self-assembled monolayer characteristics were introduced to the surface of the SnO2 layer using silane derivatives, which tuned the work function of the homojunction depending on the functional groups in the molecules and thereby significantly reduced the built-in electric field. The PSC exhibited a power conversion efficiency (PCE) of 25.3%. The maximum power point (MPP) tracking under continuous illumination confirmed that the device retained more than 97% of its initial PCE, even after 1,000 h.

homojunction↗

DOE OSTI2020

Role of phosphate source in improving the proton conductivity of tin pyrophosphate and its composite electrolytes

Metal pyrophosphates (MPPs) in general, and tin pyrophosphate (TPP) in particular, have received significant interest in the last decade due to their potential as proton conductors for electrolyte application in intermediate temperature (IT)-fuel cells. However, for MPP based electrolytes, despite high reported proton conductivities, achieving good fuel cell performance and high open circuit voltage (OCV) remains a challenge with synthesis methods playing a crucial role in determining the final proton conductivity. Here we report the role of phosphate precursor in determining the TPP proton conductivity by examining five different precursors: (1) phosphoric acid (TPP-PA), (2) ammonium hydroxide + phosphoric acid (TPP-NH 4 OH), (3) diammonium phosphate (TPP-DAP), (4) tetramethylammonium sulphate + phosphoric acid (TPP-TMAP), and (5) tetrabutylammonium phosphate (TPP-TBAP), where a maximum conductivity of 88 mS cm -1 at 200 °C was obtained for TPP prepared from the TBAP precursor. TPP prepared from all of the different precursors formed the crystalline cubic Pa-3 with combining macron] phase after sintering at 650 °C for 2.5 hours. Furthermore, TPP-TBAP/Nafion® composite membranes prepared with a 90 : 10 ratio exhibited an OCV of 0.98 V and produced a maximum peak power density (PPD) of 630 mW cm -2 at an operating temperature of 220 °C. Our results demonstrate the significant impact of the TPP precursor on proton conductivity and fuel cell performance.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Grid-Tied PV Inverter with Oversized Power Module to Increase its Low-Voltage Ride Through (LVRT) Capabilities and VAR Support

This paper proposes a novel design for grid-tied 3-ph Photovoltaic (PV) inverter to improve its low-voltage ride through (LVRT) response while significantly increasing its voltampere reactive (VAR) support during voltage sags. The literature available on LVRT for PV inverters can be grouped in solutions that dissipate the excess energy and those that temporary stores this energy. This paper proposes a third solution; oversizing inverter hardware components to safely transferring all the energy excess back to while maintaining the semiconductor under the maximum temperature limits. The advantages of the proposed approach are: 1) Improved LVRT capabilities and stable dc-link voltage control at MPP during sags. 2) Increased VAR support during voltage sags. 3) Increased use of renewable energy as all active power is injected back to the grid during voltage sags. Finally, the proposed solution is more cost effective compared with solutions that incorporate energy storage because only a few inverter components are required to be oversized. This paper also presents a detailed power loss analysis, which determined that that oversizing the power semiconductors has minimal impact in the inverter losses while significatively reducing the diode and IGBT conduction losses during both normal operation and grid fault conditions.

Ferrari Maglia, Max↗

DOE OSTI2025

Advanced Photovoltaic Module Characterization: Using Image Transformers for Current–Voltage Curve Prediction From Electroluminescence Images

Individual photovoltaic (PV) module health monitoring can be a daunting task for operation and maintenance of solar farms. Modules can be inspected through luminescence, thermal imaging, and current–voltage (I–V) curve analyzes for identification of damage and power loss. I–V curves provide easily interpretable data to determine module health as they directly provide electrical performance metrics. However, in order to obtain these curves, modules must be disconnected from the array and either removed to a solar simulator or characterized in situ with corrections for module temperature, the incident solar spectrum, and intensity. Luminescence or thermal images of a module are relatively easy to acquire in situ. Electroluminescence (EL) images highlight physical defects in the modules but do not provide easily interpretable features to correlate with electrical performance. This work presents a SWin transformer network to predict I–V curves for PV modules from their corresponding EL images. The predicted I–V curves allow the accurate prediction of the maximum power point (MPP), short-circuit current I sc , and open-circuit voltage V oc with a mean error less of than 1%. Comparing single diode model (SDM) parameters extracted from the predicted curves to those extracted from the true curves, the series resistance R s demonstrates a mean error of 5.19%, and the photocurrent I a mean error of 0.197%. The shunt resistance R sh and dark current Io parameters are predicted with larger errors because of their sensitivity to small changes in the I–V curve.

Byford, Brandon K. [New Mexico State Univ., Las Cr↗

DOE OSTI2021

Nonlinear Virtual Inertia Control of WTGs for Enhancing Primary Frequency Response and Suppressing Drivetrain Torsional Oscillations

Virtual inertia controllers (VICs) for wind turbine generators (WTGs) have been recently developed to compensate the reduction of inertia in power systems. However, VICs can induce drivetrain torsional oscillations of WTGs. This paper addresses this issue and develops a novel nonlinear VIC based on objective holographic feedback theory and the definition of a completely controllable system of Brunovsky type. Simulation results under various scenarios demonstrate that the proposed technique outperforms existing VICs in terms of enhancement of system frequency nadir, suppression of WTG drivetrain torsional oscillations, fast and smooth recovery of WTG rotor speed to the original maximum power point (MPP) before the disturbance as well as preventing secondary frequency dip caused by traditional VIC. The proposed technique is also able to adaptively coordinate multiple WTGs to enhance the frequency support and the dynamic performance of each WTG.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Triple-halide wide–band gap perovskites with suppressed phase segregation for efficient tandems

Wide–band gap metal halide perovskites are promising semiconductors to pair with silicon in tandem solar cells to pursue the goal of achieving power conversion efficiency (PCE) greater than 30% at low cost. However, wide–band gap perovskite solar cells have been fundamentally limited by photoinduced phase segregation and low open-circuit voltage. Here, we report efficient 1.67–electron volt wide–band gap perovskite top cells using triple-halide alloys (chlorine, bromine, iodine) to tailor the band gap and stabilize the semiconductor under illumination. We show a factor of 2 increase in photocarrier lifetime and charge-carrier mobility that resulted from enhancing the solubility of chlorine by replacing some of the iodine with bromine to shrink the lattice parameter. We observed a suppression of light-induced phase segregation in films even at 100-sun illumination intensity and less than 4% degradation in semitransparent top cells after 1000 hours of maximum power point (MPP) operation at 60°C. By integrating these top cells with silicon bottom cells, we achieved a PCE of 27% in two-terminal monolithic tandems with an area of 1 square centimeter.

14 SOLAR ENERGY↗

DOE OSTI2024

Multiple Beam Triode Driven RF Sources for Accelerator Applications Phase I Final Report

Calabazas Creek Research, Inc, (CCR), in collaboration with Microwave Power Products, Inc. (MPP), formerly Communications & Power Industries, LLC (CPI,) and JP Accelerator Works, Inc. (JPAW), embarked on a program to develop multiple beam triodes to produce RF power from 350 – 800 MHz with an average power exceeding 200 kW. The effort was motivated by the performance of a triode-based RF source which produces 25 kW of UHF power at 90% efficiency. The CCR effort focused on implementing this technology into a multiple beam device to increase the output power while retaining the low cost, compact size, and high efficiency. The program performed extensive simulations indicating that the goals could be achieved, and a prototype multiple beam triode was built, baked, and tested. Unfortunately, a grid to cathode short terminated the testing before the tube could generate RF power. Nevertheless, the effort demonstrated that a multiple beam triode could be designed, built, baked, and energized to high voltage. The multiple beam triode used oxide cathodes, which are only capable of pulsed operation. The multiple beam triode will be rebuilt using dispenser cathodes, which will allow high duty or continuous operation. The grids were also modified to be more robust to avoid previous issues. The MB triode will provide the beam power for RF generation. The RF is generated by surrounding the triode with input and output cavities to convert beam power to RF power. RF cavities to generate 200 kW CW at 350-450 MHz using the MB triode with dispenser cathodes was assembled during the program. The next Phase of this effort is to assemble the multiple beam triode using the subassemblies built in the Phase I program and test with the RF cavities. The Phase I program also initiated design of a higher frequency, higher power multiple beam triode. That design is forecast to produce approximately 500 kW CW from 350 - 500 MHz.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Virtual synchronous generator system and method with virtual inertia control

A virtual synchronous generator device disclosed. The device includes an inverter and inverter controller having a power control portion, a power reserve portion, a power point tracking control portion, and a virtual inertia control portion. The power reserve portion determines an amount of power to be reserved and sends a signal, indicative of the determined amount of power to the power point tracking controller. The power point tracking controller determines a power point that is less than a MPP, and provides a signal to the power control portion indicative of the determined power point. The inertia control portion determines a virtual inertia and provides a signal indicative of the virtual inertia to the power control portion. The power control portion provides a power control signal to the inverter based on the power point tracking signal and the inertia command signal.

42 ENGINEERING↗