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DOE OSTI2023

Rapid and efficient ambient temperature X-ray crystal structure determination at Turkish Light Source

High-resolution biomacromolecular structure determination is essential to better understand protein function and dynamics. Serial crystallography is an emerging structural biology technique which has fundamental limitations due to either sample volume requirements or immediate access to the competitive X-ray beamtime. Obtaining a high volume of well-diffracting, sufficient-size crystals while mitigating radiation damage remains a critical bottleneck of serial crystallography. As an alternative, we introduce the plate-reader module adapted for using a 72-well Terasaki plate for biomacromolecule structure determination at a convenience of a home X-ray source. We also present the first ambient temperature lysozyme structure determined at the Turkish light source (Turkish DeLight). The complete dataset was collected in 18.5 min with resolution extending to 2.39 Å and 100% completeness. Combined with our previous cryogenic structure (PDB ID: 7Y6A), the ambient temperature structure provides invaluable information about the structural dynamics of the lysozyme. Turkish DeLight provides robust and rapid ambient temperature biomacromolecular structure determination with limited radiation damage.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2001

Thermal Design, Analysis, and Testing of the Quench Module Insert Bread Board

The science requirements for materials processing is to provide the desired PI requirements of thermal gradient, solid/liquid interface front velocity for a given processing temperature desired by the PI. Processing is performed by translating the furnace with the sample in a stationary position to minimize any disturbances to the solid/liquid interface front during steady state processing. Typical sample materials for this metals and alloys furnace are lead-tin alloys, lead-antimony alloys, and aluminum alloys. Samples must be safe to process and therefore typically are contained with hermetically sealed cartridge tubes (gas tight) with inner ceramic liners (liquid tight) to prevent contamination and/or reaction of the sample material with the cartridge tube.

Breeding Shawn↗

NASA NTRS2015

Parametric System Model for a Stirling Radioisotope Generator

A Parametric System Model (PSM) was created in order to explore conceptual designs, the impact of component changes and power level on the performance of the Stirling Radioisotope Generator (SRG). Using the General Purpose Heat Source (GPHS approximately 250 Wth) modules as the thermal building block from which a SRG is conceptualized, trade studies are performed to understand the importance of individual component scaling on isotope usage. Mathematical relationships based on heat and power throughput, temperature, mass, and volume were developed for each of the required subsystems. The PSM uses these relationships to perform component- and system-level trades.

Heat Transfer↗

DOE OSTI2021

PERFORMANCE CHARACTERIZATION OF THE DIRECT CONTACT MEMBRANE DISTILLATION MODULE OPERATED WITH HIGHLY CONCENTRATED SOLUTION

The experimental study was conducted to characterize the performance of the flat sheet Direct Contact Membrane Distillation. The length degradation was studied in a short and long module with and without spacers. The experimental study is validated using the predicted flux for a wide range of operating conditions using deionized water. Three different membranes are used in the parametric study for feed Reynolds number varied between 500 and 2000, and inlet feed temperature varied between 45°C and 80°C. PTFE membrane was shown to be more effective than the PVDF due to its higher permeability coefficient and higher hydrophobicity. Fouling study was conducted on the selected PTFE membrane with various feed Reynolds numbers between 500 and 2000 and feed inlet temperature between 50°C and 80°C. Membranes used in the fouling study were characterized using scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) for the morphology and chemical composition of the fouling layer. 36 hours of operation with 10 wt% NaCl (100,000 ppm) at feed inlet temperatures 80°C and 60°C and fixed Reynolds 2000 demonstrated a drop in flux by 31% and 27%, respectively. Low flow rate and high temperature are favorable conditions for fouling formation and reduced permeate flux for highly concentrated solutions. The spacers improved the flux by 30.8% and 27.6% at the operating Reynolds numbers 2000 the short and long channel modules. This study helps to design and optimize DCMD modules for industrial-size desalination and water treatment applications.

Kim, Deliya↗

NASA NTRS1999

Silicon Carbide Being Developed for High-Definition Television (HDTV) Transmitter Modules

Through a Space Act Agreement, the NASA Lewis Research Center has helped develop the base silicon carbide (SiC) epitaxial growth technology for Westinghouse's efforts to bring silicon carbide products to the marketplace. SiC is a high-temperature, high-voltage semiconductor that can deliver greater than three times the power of conventional silicon devices. The technology was initially disclosed in the 1994 R&T report. NASA Lewis High Temperature Integrated Electronics and Sensors (HTIES) team is developing SiC as a material for advanced semiconductor electronic device applications because SiC-based electronics and sensors can operate in hostile environments where conventional silicon-based electronics cannot function. SiC transmitters hold great promise for television stations because they can convert broadcasts from analog to digital signals. A modular solid-state design provides broadcasters with an option to gradually add modules, increasing the power of their transmitters as they expand their high-definition television (HDTV) coverage. Using these high-power transistors will significantly reduce the space needed for high-power transmitters at television stations and will offer a solid-state solution, reducing long-term maintenance costs. Thus, transmitter manufacturers will be able to abandon their reliance on tube-based technology for high-power transmitters and will be able to build smaller, high-power, solid-state transmitters.

Costello, Donald E.↗

DOE OSTI2022

Tabulated Fluid Properties Research Report

The Multiphysics Object-Oriented Simulation Environment (MOOSE) enables a wide range of advanced nuclear reactor simulations.[6] Under the guidance of MOOSE’s Thermal Hydraulics Team,I worked to expand the capabilities of Tabulated Fluid Properties (TFP) in the fluid properties module. The fluid properties module allows the user to determine a variety of fluid properties by interpolating points between tabulated data. I implemented the ability to use bilinear interpolation instead of bicubic interpolation for interpolating tabulated data. I also changed the method of variable set inversions to use a 2-dimensional Newton’s Method utility that I created. Variable set inversions are often done from (v,e) to (p,T), where v is specific volume, e is specific internal energy, p is pressure and T is temperature. New routines have also been added into TFP such that it can be used with more applications, such as the Navier Stokes and Thermal Hydraulics modules in MOOSE for Pronghorn[5] and RELAP-7[1] respectively. This work was spurred by interest from NASA in testing a Nuclear Thermal Propulsion (NTP) engine system. NTP engines have drastically different fluid properties throughout the engine and Tabulated Fluid Properties provides the flexibility needed to properly simulate and test these engines.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Tuning Spin-Orbit Torques Across the Phase Transition in VO 2 /NiFe Heterostructure

The emergence of spin-orbit torques as a promising approach to energy-efficient magnetic switching has generated large interest in material systems with easily and fully tunable spin-orbit torques. We report current-induced spin-orbit torques in VO 2 /NiFe heterostructures are investigated using spin-torque ferromagnetic resonance, where the VO 2 layer undergoes a prominent insulator-metal transition. A roughly twofold increase in the Gilbert damping parameter, α, with temperature is attributed to the change in the VO 2 /NiFe interface spin absorption across the VO 2 phase transition. More remarkably, a large modulation (±100%) and a sign change of the current-induced spin-orbit torque across the VO 2 phase transition suggest two competing spin-orbit torque generating mechanisms. The bulk spin Hall effect in metallic VO 2 , corroborated by the first-principles calculation of the spin Hall conductivity σ SH ≈ -10 4 ($\frac{\hbar}{e}$) Ω -1 m -1 , is verified as the main source of the spin-orbit torque in the metallic phase. The self-induced/anomalous torque in NiFe, with opposite sign and a similar magnitude to the bulk spin Hall effect in metallic VO 2 , can be the other competing mechanism that dominates as temperature decreases. For applications, the strong tunability of the torque strength and direction opens a new route to tailor spin-orbit torques of materials that undergo phase transitions for new device functionalities.

36 MATERIALS SCIENCE↗

NASA NTRS2015

Hyperspectral Microwave Atmospheric Sounder (HyMas) - New Capability in the CoSMIR-CoSSIR Scanhead

Lincoln Laboratory and NASA's Goddard Space Flight Center have teamed to re-use an existing instrument platform, the CoSMIRCoSSIR system for atmospheric sounding, to develop a new capability in hyperspectral filtering, data collection, and display. The volume of the scanhead accomodated an intermediate frequency processor(IFP), that provides the filtering and digitization of the raw data and the interoperable remote component (IRC) adapted to CoSMIR, CoSSIR, and HyMAS that stores and archives the data with time tagged calibration and navigation data.The first element of the work is the demonstration of a hyperspectral microwave receiver subsystem that was recently shown using a comprehensive simulation study to yield performance that substantially exceeds current state-of-the-art. Hyperspectral microwave sounders with 100 channels offer temperature and humidity sounding improvements similar to those obtained when infrared sensors became hyperspectral, but with the relative insensitivity to clouds that characterizes microwave sensors. Hyperspectral microwave operation is achieved using independent RF antennareceiver arrays that sample the same areavolume of the Earths surfaceatmosphere at slightly different frequencies and therefore synthesize a set of dense, finely spaced vertical weighting functions. The second, enabling element of the proposal is the development of a compact 52-channel Intermediate Frequency processor module. A principal challenge in the development of a hyperspectral microwave system is the size of the IF filter bank required for channelization. Large bandwidths are simultaneously processed, thus complicating the use of digital back-ends with associated high complexities, costs, and power requirements. Our approach involves passive filters implemented using low-temperature co-fired ceramic (LTCC) technology to achieve an ultra-compact module that can be easily integrated with existing RF front-end technology. This IF processor is universally applicable to other microwave sensing missions requiring compact IF spectrometry.The data include 52 operational channels with low IF module volume (100cm3) and mass (300g) and linearity better than 0.3 over a 330K dynamic range.

sounding↗

NASA NTRS2015

Hyperspectral Microwave Atmospheric Sounder (HyMAS) - New Capability in the CoSMIR-CoSSIR Scanhead

Lincoln Laboratory and NASA's Goddard Space Flight Center have teamed to re-use an existing instrument platform, the CoSMIR/CoSSIR system for atmospheric sounding, to develop a new capability in hyperspectral filtering, data collection, and display. The volume of the scanhead accomodated an intermediate frequency processor(IFP), that provides the filtering and digitization of the raw data and the interoperable remote component (IRC) adapted to CoSMIR, CoSSIR, and HyMAS that stores and archives the data with time tagged calibration and navigation data. The first element of the work is the demonstration of a hyperspectral microwave receiver subsystem that was recently shown using a comprehensive simulation study to yield performance that substantially exceeds current state-of-the-art. Hyperspectral microwave sounders with approximately 100 channels offer temperature and humidity sounding improvements similar to those obtained when infrared sensors became hyperspectral, but with the relative insensitivity to clouds that characterizes microwave sensors. Hyperspectral microwave operation is achieved using independent RF antenna/receiver arrays that sample the same area/volume of the Earth's surface/atmosphere at slightly different frequencies and therefore synthesize a set of dense, finely spaced vertical weighting functions. The second, enabling element of the proposal is the development of a compact 52-channel Intermediate Frequency processor module. A principal challenge in the development of a hyperspectral microwave system is the size of the IF filter bank required for channelization. Large bandwidths are simultaneously processed, thus complicating the use of digital back-ends with associated high complexities, costs, and power requirements. Our approach involves passive filters implemented using low-temperature co-fired ceramic (LTCC) technology to achieve an ultra-compact module that can be easily integrated with existing radio frequency front-end technology. This IF processor is universally applicable to other microwave sensing missions requiring compact IF spectrometry. The data include 52 operational channels with low IF module volume (less than 100 cubic centimeters) and mass (less than 300 grams) and linearity better than 0.3 percent over a 330,000 dynamic range.

multispectral↗

NASA NTRS1986

An engineering analysis of a closed cycle plant growth module

The SOLGEM model is a numerical engineering model which solves the flow and energy balance equations for the air flowing through a growing environment, assuming quasi-steady state conditions within the system. SOLGEM provides a dynamic simulation of the controlled environment system in that the temperature and flow conditions of the growing environment are estimated on an hourly basis in response to the weather data and the plant growth parameters. The flow energy balance considers the incident solar flux; incoming air temperature, humidity, and flow rate; heat exchange with the roof and floor; and heat and moisture exchange with the plants. A plant transpiration subroutine was developed based plant growth research facility, intended for the study of bioregenerative life support theories. The results of a performance analysis of the plant growth module are given. The estimated energy requirements of the module components and the total energy are given.

Stickford, G. H., Jr.↗

DOE OSTI2024

Predictive Models and Novel Accelerated Tests for the Reliability of Cell Metallization in Photovoltaic Modules (Final Report)

Studies of metallization corrosion m photovoltaics have mainly been limited to comparisons of modules placed in accelerated chambers to fielded modules [1]. Damp Heat accelerated tests and phenomenological equations [2] are used to assess metallization corrosion without understanding the effect of UV light and temperature and humidity cycles on encapsulant adhesion degradation. The roles of encapsulant in-and out-diffusions of moisture and encapsulant impurities are important. Furthermore, few photovoltaic metallization corrosion studies included the role of bias and leakage currents, which are crucial in the electrochemical reaction of metallization. Leakage currents can highly accelerate the corrosion mechanism and are important to include in the studies of corrosion. In our research plan, we will address the following gaps in the PV community's understanding of metallization corrosion: (1) metallization corrosion with bias, humidity, and impurities in the encapsulant or metallization; (2) humidity diffusion through fresh and degraded encapsulants; and (3) comparison of model predictions with outdoor field modules and SunPower's extensive data for its back-contact and front-contact fleets [2] along with NREL's store of >20 year old modules. Our goal is to build models and accelerated tests to predict long term degradation of metallization corrosion of photovoltaic modules in the field. Our studies will include metals used in c-Si solar cells (Cu, Ag, and Al) and commonly used encapsulants (EV A (ethylene vinyl acetate), TPO (thermoplastic olefin), and silicone).

14 SOLAR ENERGY↗

DOE OSTI2023

Entangled Photon Correlations Allow a Continuous-Wave Laser Diode to Measure Single-Photon, Time-Resolved Fluorescence

Fluorescence lifetime experiments are a standard approach for measuring excited state dynamics and local environment effects. Here, we show that entangled photon pairs produced from a continuous-wave (CW) laser diode can replicate pulsed laser experiments without phase modulation. As a proof of principle, picosecond fluorescence lifetimes of indocyanine green are measured in multiple environments. Here, the use of entangled photons has three unique advantages. First, low power CW laser diodes and entangled photon source design lead to straightforward on-chip integration for a direct path to distributable fluorescence lifetime measurements. Second, the entangled pair wavelength is easily tuned by temperature or electric field, allowing a single source to cover octave bandwidths. Third, femtosecond temporal resolutions can be reached without requiring major advances in source technology or external phase modulation. Entangled photons could therefore provide increased accessibility to time-resolved fluorescence while also opening new scientific avenues in photosensitive and inherently quantum systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Oscillating paramagnetic Meissner effect and Berezinskii-Kosterlitz-Thouless transition in underdoped Bi2Sr2CaCu2O8+δ

ABSTRACT Superconducting phase transitions in two dimensions lie beyond the description of the Ginzburg-Landau symmetry-breaking paradigm for three-dimensional superconductors. They are Berezinskii-Kosterlitz-Thouless (BKT) transitions of paired-electron condensate driven by the unbinding of topological excitations, i.e. vortices. The recently discovered monolayers of layered high-transition-temperature (${{{T}}}_{{\rm C}}$) cuprate superconductor Bi2Sr2CaCu2O8+δ (Bi2212) meant that this 2D superconductor promised to be ideal for the study of unconventional superconductivity. But inhomogeneity posed challenges for distinguishing BKT physics from charge correlations in this material. Here, we utilize the phase sensitivity of scanning superconducting quantum interference device microscopy susceptometry to image the local magnetic response of underdoped Bi2212 from the monolayer to the bulk throughout its phase transition. The monolayer segregates into domains with independent phases at elevated temperatures below ${{{T}}}_{{\rm C}}$. Within a single domain, we find that the susceptibility oscillates with flux between diamagnetism and paramagnetism in a Fraunhofer-like pattern up to ${{{T}}}_{{\rm C}}$. The finite modulation period, as well as the broadening of the peaks when approaching ${{{T}}}_{{\rm C}}$ from below, suggests well-defined vortices that are increasingly screened by the dissociation of vortex-antivortex plasma through a BKT transition. In the multilayers, the susceptibility oscillation differs in a small temperature regime below ${{{T}}}_{{\rm C}}$, consistent with a dimensional crossover led by interlayer coupling. Serving as strong evidence for BKT transition in the bulk, we observe a sharp jump in phase stiffness and paramagnetism at small fields just below ${{{T}}}_{{\rm C}}$. These results unify the superconducting phase transitions from the monolayer to the bulk underdoped Bi2212, and can be collectively referred to as the BKT transition with interlayer coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Photovoltaic fleet degradation insights

Abstract In the PV Fleet Performance Data Initiative, high‐frequency data from commercial and utility‐scale photovoltaic (PV) systems have been collected to examine performance loss rates (PLRs) at a fleet scale. To date, performance data from more than 7.2‐gigawatt (GW) capacity, 1700 sites and 19,000 inverters—approximately equivalent to 6% to 7% of the entire US PV market—have been collected. An overall PLR of −0.75%/year was found, which is in line with historical and recent findings. Tracked silicon (Si) and cadmium telluride (CdTe) performed comparably with all fixed‐tilt systems. Higher PLRs were found for hotter temperature zones; cooler climates exhibit a median −0.48%/year loss, which increases to −0.88%/year in hotter climates. High‐efficiency module technologies showed median PLRs in line with conventional Si technologies but demonstrated markedly different PLR behavior when filtered only for low‐light conditions <600 W/m 2 . Causes for this technology‐dependent behavior are under investigation.

14 SOLAR ENERGY↗

DOE OSTI2023

CdTe-based thin film photovoltaics: Recent advances, current challenges and future prospects

Cadmium telluride (CdTe)-based cells have emerged as the leading commercialized thin film photovoltaic technology and has intrinsically better temperature coefficients, energy yield, and degradation rates than Si technologies. More than 30 GW peak (GWp) of CdTe-based modules are installed worldwide, multiple companies are in production, modules are shipping at up to 18.6% efficiency, and lab cell efficiency is above 22%. We review developments in the science and technology that have occurred over approximately the past decade. These achievements were enabled by manufacturing innovations and scaling module production, as well as maximizing photocurrent through window layer optimization and alloyed CdSe x Te 1-x (CST) absorbers. Improved chlorine passivation processes, film microstructure, and serendipitous Se defect passivation significantly increased minority carrier lifetime. Efficiencies >22% have been realized for both Cu and As doped CST-based cells. The path to further efficiency gains hinges primarily on increasing open circuit voltage (V oc ) and fill factor (FF) through innovations in materials, fabrication methods, and device stacks. Replacing the longstanding Cu doping with As doping is resulting in better module stability and is being translated to large-scale production. To realize 25% efficiency and >1 V V oc , research and development is needed to increase the minority carrier lifetime beyond 100 ns, reduce grain boundary and interface recombination, and tailor band diagrams at the front and back interfaces. Many of these goals have been realized separately however combining them together using scalable manufacturing approaches has been elusive to date. We review these achievements and outstanding opportunities for this remarkable photovoltaic technology.

14 SOLAR ENERGY↗

DOE OSTI2026

Interfacial Hydrogen-Bond Dynamics in Transition Metal Compounds

Understanding how water behaves when confined within atomic layers of active transition-metal carbides, nitrides, and carbonitrides is essential for uncovering the fundamental principles needed to engineer solid–liquid interfaces at the atomic scale. Yet, how lattice element chemistry and surface termination groups collectively regulate the structure and mobility of such interlayer water remains poorly understood. Here, we present a composition-controlled investigation of interlayer water dynamics in layered transition-metal nitride, carbide, and carbonitride systems using a systematic integration of quasi-elastic neutron scattering (QENS), ab initio molecular dynamics (AIMD) simulations, and density functional theory (DFT) calculations. QENS measurements show that nitride-rich systems host mobile, translationally diffusing water with thermally activated self-diffusion coefficients on the order of 10 –10 m 2 s –1 , whereas mixed C/N lattices confine water to localized, nontranslational motion that is insensitive to temperature. AIMD and DFT reveal that lattice C/N chemistry and surface functional group composition reshape the first hydration layer by modulating the surface electronic structure and termination-dependent hydrogen-bond networks, leading to pronounced differences in water ordering and thermal resilience. On the other hand, fully carbide systems exhibit intermediate behavior, highlighting that water mobility is not primarily controlled by the hydration level alone but by the coupling between lattice composition and surface chemistry. Overall, this study establishes how surface chemistry and lattice composition jointly control interfacial hydrogen bond dynamics, offering a mechanistic framework for designing transition-metal layered materials with tailored interfacial transport properties.

Hydration↗

DOE OSTI2020

Visualization of Multifractal Superconductivity in a Two-Dimensional Transition Metal Dichalcogenide in the Weak-Disorder Regime

Eigenstate multifractality is a distinctive feature of noninteracting disordered metals close to a metal–insulator transition, whose properties are expected to extend to superconductivity. While multifractality in three dimensions (3D) only develops near the critical point for specific strong-disorder strengths, multifractality in 2D systems is expected to be observable even for weak disorder. Here we provide evidence for multifractal features in the superconducting state of an intrinsic, weakly disordered single-layer NbSe 2 by means of low-temperature scanning tunneling microscopy/spectroscopy. The superconducting gap, characterized by its width, depth, and coherence peaks’ amplitude, shows a characteristic spatial modulation coincident with the periodicity of the quasiparticle interference pattern. The strong spatial inhomogeneity of the superconducting gap width, proportional to the local order parameter in the weak-disorder regime, follows a log-normal statistical distribution as well as a power-law decay of the two-point correlation function, in agreement with our theoretical model. Furthermore, the experimental singularity spectrum f(α) shows anomalous scaling behavior typical from 2D weakly disordered systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Multiple Lattice Instabilities and Complex Ground State in Cs 2 Ag Bi Br 6

Metal-halide perovskites (MHPs) are attracting considerable interest for optoelectronic applications, with Cs 2 Ag Bi Br 6 one of the main contenders among lead-free systems. Cs 2 Ag Bi Br 6 crystallizes in a nominally double-perovskite structure, but exhibits a soft lattice with large atomic fluctuations characteristic of MHPs. While crucial to understand electron-phonon and phonon-phonon couplings, the spatiotemporal correlations of these fluctuations remain largely unknown. Here, we reveal these correlations using comprehensive neutron and x-ray scattering measurements on Cs 2 Ag Bi Br 6 single crystals, complemented with first-principles simulations augmented with machine-learned neural-network potentials. We report the discovery of an unexpected complex modulated ground-state structure containing several hundred atoms, arising from a soft-phonon instability of the low-temperature tetragonal phase. Further, our experiments and simulations both reveal extensive correlated two-dimensional fluctuations of Br octahedra at finite temperature, arising from soft optic phonons that are strongly broadened by anhamonicity, reflecting very shallow potential wells. These results provide new insights into the atomic structure and fluctuations in MHPs, critical to understand and control their thermal and optoelectronic properties. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗