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DOE OSTI2026

Rinse-Free, Sodium-Efficient Synthesis of O3-Type Layered Oxide Materials Enabled by Acetate Precursors

Sodium-ion batteries (SIBs) are a sustainable alternative to lithium-ion systems for global electrification, with O3-type layered oxide cathodes offering high specific capacity and feasibility of scalable synthesis. Industrial co-precipitation synthesis of these cathodes typically uses transition metal sulfates, requiring extensive water rinsing to remove Na 2 SO 4 impurities, a process that consumes significant water and risks residual inactive phases if incomplete. Here, this work introduces a rinse-free, resource-efficient approach using metal acetate precursors. Residual sodium acetate in non-rinsed precursors decomposes during sintering to generate Na 2 CO 3 in situ, partially substituting an external sodium resource (e.g., NaOH and Na 2 CO 3 ) and reducing its consumption by ∼18–20%. Phase-pure O3-Na 1.0 Ni 1/3 Fe 1/3 Mn 1/3 O 2 (NFM111) cathodes synthesized via this method exhibit microstructure and electrochemical performance comparable to rinsed sulfate-derived counterparts, with initial capacities of 141 mAh g −1 at C/20 (7.5 mA g −1 ). By eliminating rinsing and minimizing sodium reagent use, this acetate-based route enhances sustainability and scalability of layered oxide production for SIBs.

acetate vs. sulfate↗

DOE OSTI2020

Diazirine-based photo-crosslinkers for defect free fabrication of solution processed organic light-emitting diodes

The fabrication of solution deposited OLEDs is fraught with difficulties, largely due to the interlayer mixing and surface erosion during sequential deposition of the layers. We demonstrate that these problems can be circumvented by using photopolymerizable diazirine-based cross-linker capable of converting soluble organic materials into highly cross-linked insoluble networks. 3-Trifluoromethyl(aryl)diazirines photolyze readily upon the 10–15 min exposure of 365 nm UV irradiation to generate carbenes, which react with polymers or small molecules via C–H bond insertion producing highly cross-linked materials. This photo-generated cross-linking does not require any catalyst, initiator or short-wavelength UV light and is performed at room temperature, releasing molecular nitrogen as the only byproduct. To show the cross-linked polymer layers do not display inter-layer mixing, we deposited red-emitting regioregular poly(3-hexylthiophene-2,5-diyl) (P3HT) over cross-linked (10% cross-linker) blue emitting dioctyl polyfluorene (PFO) layer. The overlaid layers showed clear and well-defined boundary with no interlayer mixing. The surface morphology of the solution deposited layers was investigated by AFM to show that the cross-linked layers exhibited significant decrease in surface roughness. This is also shown on the example of the hole transporting material 4,4'-bis[N-(1-naphthyl)-N-phenylamino]-biphenyl (NPB) which displayed roughness average to decrease from 6.4 nm to 1.0 nm. The effect of decreased surface roughness on the performance of phosphorescent OLEDs was investigated by fabricating devices with configuration of ITO/PEDOT:PSS/NPB:(0%/5%/10%) cross-linker/MCP:6% Ir(mppy) 3 /TPBI/CsF/Al. Furthermore, following the diazirine-mediated cross-linking, the OLEDs displayed a decrease in turn-on voltage from 3.8 V to 3.0 V along with a six-fold enhancement of external quantum efficiency (EQE max ) from 1.1% to 6.8% and maximum luminous efficiency increase from 3.8 cd A -1 to 22.9 cd A -1 . These results demonstrate that the simple diazirine mediated photo-cross-linking using mild conditions compatible with organic layers is a promising strategy for improving the performance of the solution-processed OLEDs.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Fully Transparent GaN Homojunction Tunnel Junction-Enabled Cascaded Blue LEDs.

A sidewall activation process was optimized for buried magnesium-doped p-GaN layers yielding a significant reduction in tunnel junction-enabled light emitting diode (LED) forward voltage. This buried activation enabled the realization of cascaded blue LEDs with fully transparent GaN homojunction tunnel junctions. The initial optimization of buried p-GaN activation was performed on PN junctions grown by metal organic chemical vapor deposition (MOCVD) buried under hybrid tunnel junctions grown by MOCVD and molecular beam epitaxy. Next the activation process was implemented in cascaded blue LEDs emitting at 450 nm, which were enabled by fully transparent GaN homojunction tunnel junctions. The tunnel junction-enabled multi-active region blue LEDs were grown monolithically by MOCVD. This work demonstrates a state-of-the-art tunnel junction-enabled cascaded LED utilizing homojunction tunnel junctions which do not contain any heterojunction interface.

42 ENGINEERING↗

DOE OSTI2021

Spectral characterization of flash and high flux x-ray radiographic sources with a magnetic Compton spectrometer

In this article, we present a new analysis method applied to revitalize permanent magnet Compton spectrometers used to measure photon energy spectra in the MeV range. The inversion of the measured electron distribution to determine the original photon distribution is achieved via a method of consistent coupled radiation transport and magnetic field mapping of the input photon spectra to the measured electron distribution. The method of linear least squares was used to perform the unfolding of the electron distribution to the initial photon spectra, without any assumptions made regarding the electron distribution. We present an application of this method to data from a nominal 19.4 MeV flash radiographic source (the first axis of the Dual Axis Radiographic Hydro-Test Facility) capable of generating 500 R @ 1 m in ~60 ns and a medical therapy source (a Scanditronix M22, Microtron) capable of variable energies with nominal endpoints of 6, 10, 15, and 20 MeV and an output of ~1000–2000 R/min @ 1 m. The results provide agreement between the modeled and unfolded experimentally measured photon spectra as quantified by statistical tests, from 1.5 to 20 MeV. Experimental results are presented as well as a discussion of the novel MCNP6-based simulations and methods for reconstruction of the spectra.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

A Second Moment Method for k -Eigenvalue Acceleration with Continuous Diffusion and Discontinuous Transport Discretizations

The second moment method is a linear acceleration technique that couples the transport equation to a diffusion equation with transport-dependent additive closures. The resulting low-order diffusion equation can be discretized independent of the transport discretization, unlike diffusion synthetic acceleration, and is symmetric positive definite, unlike quasidiffusion. While this method has been shown to be comparable to quasidiffusion in iterative performance for fixed source and time-dependent problems, it is largely unexplored as an eigenvalue problem acceleration scheme due to the belief that the resulting inhomogeneous source makes the problem ill posed. Recently, a preliminary feasibility study was performed on the second moment method for eigenvalue problems. The results suggested comparable performance to quasidiffusion and more robust performance than diffusion synthetic acceleration. This work extends the initial study to more realistic reactor problems using state-of-the-art discretization techniques. Finally, the results in this paper show that the second moment method is more computationally efficient than its alternatives on complex reactor problems with unstructured meshes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

An initial magnet experiment using high-temperature superconducting STAR ® wires

A dipole magnet generating 20 T and beyond will require high-temperature superconductors such as Bi 2 Sr 2 CaCu 2 O 8-x and REBa 2 Cu 3 O 7-x (RE = rare earth, rebco). Symmetric tape round (star ® ) wires based on rebco tapes are emerging as a potential conductor for such a magnet, demonstrating a whole-conductor current density of 580 A mm -2 at 20 T, 4.2 K, and at a bend radius of 15 mm. There are, however, few magnet developments using star ® wires. Here we report a subscale canted cos$\theta$ dipole magnet as an initial experiment for two purposes: to evaluate the conductor performance in a magnet configuration and to start developing the magnet technology, leveraging the small bend radius afforded by star ® wires. The magnet was wound with two star ® wires, electrically in parallel and without transposition. We tested the magnet at 77 and 4.2 K. The magnet reached a peak current of 8.9 kA, 78% of the short-sample prediction at 4.2 K, and a whole-conductor current density of 1500 A mm -2 . The experiment demonstrated a minimum viable concept for dipole magnet applications using star ® wires. Here the results also allowed us to identify further development needs for star ® conductors and associated magnet technology to enable high-field rebco magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Watch and learn—a generalized approach for transferrable learning in deep neural networks via physical principles

Transfer learning refers to the use of knowledge gained while solving a machine learning task and applying it to the solution of a closely related problem. Such an approach has enabled scientific breakthroughs in computer vision and natural language processing where the weights learned in state-of-the-art models can be used to initialize models for other tasks which dramatically improve their performance and save computational time. Here we demonstrate an unsupervised learning approach augmented with basic physical principles that achieves fully transferrable learning for problems in statistical physics across different physical regimes. By coupling a sequence model based on a recurrent neural network to an extensive deep neural network, we are able to learn the equilibrium probability distributions and inter-particle interaction models of classical statistical mechanical systems. Our approach, distribution-consistent learning, DCL, is a general strategy that works for a variety of canonical statistical mechanical models (Ising and Potts) as well as disordered interaction potentials. Using data collected from a single set of observation conditions, DCL successfully extrapolates across all temperatures, thermodynamic phases, and can be applied to different length-scales. This constitutes a fully transferrable physics-based learning in a generalizable approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Privacy-preserving Average Consensus Algorithm with Beaver Triple

A privacy-preserving average consensus algorithm is designed based on the Beaver triple technique against passive adversaries. The Beaver triple technique is integrated into a restructure of the discrete-time average consensus algorithm to preserve the privacy of initial values of agents in a multiagent system. The performance of the algorithm is theoretically analyzed.

Wang, Peng [Shanghai Jiao Tong University, China]↗

DOE OSTI2021

Design and Analysis of High Heat Flux Plasma-Facing Components for NSTX Upgrade

The National Spherical Tokamak Experiment (NSTX) upgrade (NSTX-U) requirements lead to enhanced heat loads on plasma-facing components (PFCs) especially in the divertor regions, where normal heat flux density can reach up to 8 MW/m 2 . For these high heat flux (HHF) regions, the PFCs were redesigned, to use castellations which relieved the thermal stresses associated with high incident heat flux. Another design feature of HHF PFCs is the absence of front face mounting holes which create localized areas of high temperature and thermal stress concentrations. Optimized shaping of the front face of the HHF PFCs eliminates regions where the front face is perpendicular to the heat flux direction during normal helicity operation and spreads the heat load. A unique mechanism was designed to connect PFC tiles to the NSTX-U center stack casing using locking features accessible from the low heat flux regions. Isotropic graphite was selected as the HHF PFC tile material. Initial tile design parameters were accessed using analytical expressions for pulsed heat flux loading. A working prototype of the locking mechanism was created during the initial stages of the design to prove the concept performance. This article presents an overview of the divertor HHF PFC design and the results of the thermal and structural analyses performed using ANSYS software. The results of the analyses cover normal operating conditions and disruptions which impose electromagnetic (EM) loads from eddy and halo currents. The 3-D, transient, nonlinear analyses took into account the temperature-dependent properties of the materials, friction interfaces between the parts, and variable electric properties of the parts and interfaces. The results confirm that the HHF PFC tiles remain within the allowable limits for the loads defined by the NSTX-U Recovery Project. In addition, tolerance stack up analyses were performed to ensure tile performance in the worst possible assembly configuration. Finally, the design process was completed successfully, and the NSTX HHF PFC tiles are currently in the production phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

So you think you can track?

This work introduces a multi-camera tracking dataset consisting of 234 hours of video data recorded concurrently from 234 overlapping HD cameras covering a 4.2 mile stretch of 8-10 lane interstate highway near Nashville, TN. Video is recorded in cooperation with Tennessee State Department of Transportation and its policies. The video is recorded during a period of high traffic density with 500+ objects typically visible within the scene and typical object longevities of 3-15 minutes. GPS trajectories from 270 vehicle passes through the scene are manually corrected in the video data to provide a set of ground-truth trajectories for recall-oriented tracking metrics, and object detections are provided for each camera in the scene (159 million total before cross-camera fusion). Initial benchmarking of tracking-by-detection algorithms is performed against the GPS trajectories, and a best HOTA of only 9.5% is obtained (best recall 75.9% at IOU 0.1, 47.9 average IDs per ground truth object), indicating the benchmarked trackers do not perform sufficiently well at the long temporal and spatial durations required for traffic scene understanding. Video data, scene information, and vehicle trajectories are made publicly available at i24motion.org.

42 ENGINEERING↗

DOE OSTI2020

Heat-induced drift reduction of time of flight in fused quartz acoustic waveguides via annealing process

High temperature structural acoustic sensors play an important role in many applications. Fused quartz waveguide is a popular choice due to its resistance to harsh environments and its convenience of modification. However, time of flight between pulse and echo, which is widely used in these sensors, tends to encounter drifts in fast temperature changing process even after temperature returns to initial value. In this article, different annealing process are performed for a special modified fused quartz waveguide with a sensor node. Annealing treatment is found able to reduce the drift when the waveguide undergoes a sudden temperature spike to 1000 °C at 500 kHz operating acoustic frequency, and the best annealing condition could make the drift one magnitude smaller. A following temperature test up to 1000 °C shows consistent measurement readings.

Hileman, Zachary (ORCID:0000000226529274)↗

DOE OSTI2024

Variants in the MS4A cluster interact with soluble TREM2 expression on biomarkers of neuropathology

Recent evidence suggests that Alzheimer’s disease (AD) genetic risk variants (rs1582763 and rs6591561) of the MS4A locus are genome-wide significant regulators of soluble TREM2 levels such that the minor allele of the protective variant (rs1582763) is associated with higher sTREM2 and lower AD risk while the minor allele of (rs6591561) relates to lower sTREM2 and higher AD risk. Our group previously found that higher sTREM2 relates to higher Aβ 40 , worse blood–brain barrier (BBB) integrity (measured with the CSF/plasma albumin ratio), and higher CSF tau, suggesting strong associations with amyloid abundance and both BBB and neurodegeneration complicate interpretation. We expand on this work by leveraging these common variants as genetic tools to tune the interpretation of high CSF sTREM2, and by exploring the potential modifying role of these variants on the well-established associations between CSF sTREM2 as well as TREM2 transcript levels in the brain with AD neuropathology. Biomarker analyses leveraged data from the Vanderbilt Memory & Aging Project (n = 127, age = 72 ± 6.43) and were replicated in the Alzheimer’s Disease Neuroimaging Initiative (n = 399, age = 73 ± 7.39). Autopsy analyses were performed leveraging data from the Religious Orders Study and Rush Memory and Aging Project (n= 577, age = 89 ± 6.46). We found that the protective variant rs1582763 attenuated the association between CSF sTREM2 and Aβ 40 (β= -0.44, p-value= 0.017) and replicated this interaction in ADNI (β = -0.27, p = 0.017). We did not observe this same interaction effect between TREM2 mRNA levels and Aβ peptides in brain (Aβ total β = -0.14, p = 0.629; Aβ 1-38 , β = 0.11, p = 0.200). In contrast to the effects on Aβ, the minor allele of this same variant seemed to enhance the association with blood–brain barrier dysfunction (β = 7.0e-4, p = 0.009), suggesting that elevated sTREM2 may carry a much different interpretation in carriers vs. non-carriers of this allele. When evaluating the risk variant (rs6591561) across datasets, we did not observe a statistically significant interaction against any outcome in VMAP and observed opposing directions of associations in ADNI and ROS/MAP on Aβ levels. Together, our results suggest that the protective effect of rs1582763 may act by decoupling the associations between sTREM2 and amyloid abundance, providing important mechanistic insight into sTREM2 changes and highlighting the need to incorporate genetic context into the analysis of sTREM2 levels, particularly if leveraged as a clinical biomarker of disease in the future.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

xRage simulations of magnetic velocity gauges used in gas gun shock initiation experiments

Shock initiation gas gun experiments of PBX 9012 have been performed by Burns and Chiquete [2020] using magnetic velocity gauges as the principal diagnostic. In private communications, the experimenters noted that compatibility issues required a different glue to bond the gauges to PBX 9012 then previously used for experiments with PBX 9501 and PBX 9502. The silicon glue used is more viscous and can result in glue layers up to 50 microns, which is about the gauge thickness. This raises the question on what affect the thicker glue layers have on the gauge response. In particular, the width of the lead shock can affect the accuracy of inferring shock locus points used for the shock pressure of Pop plot data points and for Hugoniot data to calibrate the reactants EOS.

36 MATERIALS SCIENCE↗

DOE OSTI2022

U.S. Building Stock Characterization Study: A National Typology for Decarbonizing U.S. Buildings

To support the U.S. Department of Energy's (DOE's) Advanced Building Construction (ABC) Collaborative, the National Renewable Energy Laboratory (NREL) has been tasked with characterizing the U.S. building stock and developing a national typology of buildings. The potential use cases of such a typology are flexible and evolving, but in this initial phase, the primary intention is to help identify technology requirements and engineering solutions for moving the U.S. building stock toward a zero-carbon future by mid-century. This typology will also support the development of appropriate ABC research goals for existing buildings, such as cost targets for new technology development, and in a later phase, the typology can be used to support the implementation of ABC solutions by informing market aggregation and business model development. The ABC Initiative invests in new technologies that enable high building performance, can be deployed quickly with minimal onsite construction time, and are affordable and appealing to building owners, investors, and occupants. Funding awardees use many innovations, including new building materials, 3D printing, offsite manufacturing, robotics, and digital art-to-part. Although the goals of ABC cover a broad range of objectives around energy, comfort, and health, the primary ABC-related application of this national building characterization study is the development of retrofit packages that can be applied to reduce thermal loads in buildings. Retrofit packages will be determined collaboratively by the DOE and the ABC Collaborative. We anticipate a range of upgrade measures covering envelope-, HVAC-, and water-heating-related loads.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

HSR transition jump optics in the September 2022 layout

Transition is crossed during acceleration in the Hadron Storage Ring (HSR) for all species other than protons. A first-order transition jump scheme manipulates the value of the optical quantity γ T and distorts the optics of the HSR around the time that the beam energy γ beam crosses the nominal transition value γ T 0 . The jump scheme in the Relativistic Heavy Ion Collider (RHIC) uses 48 jump quads, driven by 12 bi-polar power supplies that each drive 4 quads in series. Ten of those 48 are eliminated in the preliminary September 2022 HSR layout (EIC-HSR-220921a) that was developed from RHIC with no initial regard for transition crossing. This note analyzes the performance of the 38-quad HSR scheme, by comparison with the 48-quad RHIC scheme. It is concerned only with optics – the manipulation and response of Twiss functions and related quantities – and not with beams. This evaluation is a necessary first step before enhancing the transition jump scheme to restore RHIC performance in the HSR. Eventually full beam simulations of transition crossing need to be performed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Qualification of ANSI/HPS N13.1-2011 Mixing Criteria by Computational Fluid Dynamics Modeling for the 3430 Building Fan Addition and Increased Ventilation Capacity

Additional ventilation capacity has been designed for the 3430 Building filtered exhaust stack system. The updated system will increase the number of fans from two to three and include new ductwork with a larger diameter to integrate the new fan into the existing stack. Stack operations will involve running various fan combinations at any given time. The air monitoring system of the existing two-fan stack previously was found to comply with the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-1999 standard. Full-scale, three-dimensional computational fluid dynamics (CFD) modeling was used to evaluate the modified three-fan system for compliance with the ANSI/HPS N13.1-2011 standard, which essentially is equivalent to the ANSI/HPS N13.1-1999 standard. The four mixing criteria evaluated are 1) flow angle, 2) velocity, 3) gas tracer, and 4) particle tracer. Benchmarking of the CFD modeling methodology showed good agreement with previous testing used to qualify the stack, and modeling of the existing two-fan system showed good agreement with test data collected from the 3430 Building stack. Modeling was performed to develop a suitable three-fan design. Initial modeling of the three-fan design and basic ductwork showed that flow angles and velocity uniformity were acceptable; however, the gas tracer and particle tracer mixing results were not acceptable. To meet ANSI/HPS N13.1-2011 criteria, an air blender was added to the stack design.

42 ENGINEERING↗

DOE OSTI2022

Qualification of ANSI/HPS N13.1-2011 Mixing Criteria by Computational Fluid Dynamics Modeling for the 3430 Building Fan Addition and Increased Ventilation Capacity

42 ENGINEERING↗

DOE OSTI2020

CEM MARS 6 Microwave Incident

A fire occurred in a CEM MARS 6 analytical microwave during microwave-assisted, acid digestion of a soil sample in a Research and Development (R&D) laboratory. The soil sample had been pretreated at 550°C for approximately 4 hours in a furnace prior to digesting in the microwave. Less than 1-gram aliquots of the pretreated soil sample were placed into separate microwave reaction vessels along with an acid mixture used for digestion. The microwave was used to facilitate digestion of the samples. Microwave reaction vessels were loaded with acid and soil samples, sealed in cassettes, and the cassettes placed onto a microwave carousel. A temperature probe that senses the reaction temperature during the run was inserted into the Reference Cell thermowell. The contents of the Reference Cell were identical to the contents of the other reaction cells. The researcher initiated the run and then left the laboratory to perform other work. Upon returning to check the digestion run, flames and smoke were observed originating from the microwave. The researcher exited the lab, immediate emergency actions were taken, and the local fire department responded and extinguished the fire. No personnel were injured, and no facility structural damage occurred. The affected microwave is a total loss. The fire investigation revealed the most credible cause of the fire is an incompatible temperature probe that did not accurately measure temperature of the liquid phase of the Reference sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗