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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Creating Hydride Rim Structures in Zircaloy 4 Cladding Tubes to Mimic High Burnup

During their long service in commercial light water reactors, zirconium alloy cladding tubes are subject to oxidation and subsequent hydrogen pickup which can degrade the materials mechanical properties [1]. These degradations can lead to premature cladding ruptures during reactor power transients [2] as well as negatively impact the claddings post quench ductility following high temperature steam oxidation in thermal hydraulic transients [3]. Hydrogen has low solid solubility in zirconium and usually precipitates as brittle zirconium hydride platelets in the cladding metal matrix. Due to temperature driven diffusion (Soret effect) and the grain texture of stress relieved zirconium metal tubes, these hydrides precipitate with a circumferential orientation near the outer surface of the cladding tubes forming a hydride rim which can serve as a site for crack initiation during circumferential ‘hoop’ loading of the cladding [4rim formation][5]. In order to better understand the effect of hydride rims on the fracture behavior of stress relieved zirconium alloy cladding tubes a procedure to produce these rim-like structures is being developed at Idaho National Laboratory (INL).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

PISCES two-detector covariance matrix fit for the NOvA Experiment

NOvA is a long-baseline neutrino oscillation experiment with two functionally identical detectors: a Near Detector (ND) at Fermilab, placed 1 km from the neutrino source, and a Far Detector (FD) located 810 km away from the ND in Minnesota. NOvA's primary physics goals are the precise measurements of neutrino oscillation parameters $\theta_{23}$ and $\Delta m^2_{32}$ , determine the neutrino mass ordering, and constrain the value of $\delta_{CP}$, via the study of muon neutrino to electron neutrino oscillation. In the standard NOvA three-flavor analysis, oscillation parameters are extracted using an extrapolation technique in which the ND data constrain the FD prediction through a ratio method. While this allows for systematic uncertainties sharing the same effects in both detectors to cancel, it remains an FD-only fit and does not fully leverage the constraining power of the high-statistics ND. This analysis proposes a simultaneous ND+FD fit using the PISCES method. PISCES (Parameter Inference with Systematic Covariance and Exact Statistics) is a framework designed to support complex configurations such as a joint ND+FD fit. This allows PISCES to take full advantage of the ND data to directly constrain systematic uncertainties across all samples. In PISCES, systematic uncertainties are encoded in a fractional covariance matrix, and statistical uncertainties are handled with a Poisson likelihood, making the approach well suited for low-statistics samples. For interpretability, we further use a Newton–Raphson + PCA method to recover per-systematic pulls from the covariance formulation. This poster presents the full PISCES joint ND+FD fit for the NOvA three-flavor analysis, describes its implementation and evaluates its performance through extensive robustness tests and fake data studies. It also provides a comparison between the PISCES joint ND+FD results and the standard NOvA extrapolation method.

Rajaoalisoa, Miriama [Cincinnati U.] (ORCID:000000↗

NASA NTRS1989

Monolithic Microwave Switching Matrix

Gallium arsenide integrated-circuit chip switches any of three microwave input signals to any of three output ports. Measuring 4.9 mm on side, chip contains nine field-effect transistor (FET) crosspoint switches. Housed in custom-designed package with standard connectors for easy integration into system. FET's on chip operated as passive switches and consume no static power and insignificant amounts of switching power. Chip module cascades with similar modules into large arrays handling as many as 100 inputs and 100 outputs. Applications include switching and routing vast amounts of data between computers at extremely high speed. On communications satellite, chip switches microwave signals to and from Earth stations and other satellites.

Fujikawa, Gene↗

DOE OSTI2025

Superconductivity in the lightly doped Hubbard model on the cylindrical honeycomb lattice

Here, we have performed large-scale density-matrix renormalization group studies of the lightly doped Hubbard model on the honeycomb lattice on long three- and four-leg cylinders. We find that the ground state of the system upon lightly doping is consistent with that of a superconducting state with coexisting quasi-long-range superconducting and charge density wave orders. Both the superconducting and charge density wave correlations decay as a power law at long distances with corresponding exponents 𝐾 𝑠⁢𝑐 < 2 and 𝐾 𝑐 < 2. On the contrary, the spin-spin and single-particle correlations decay exponentially, although with relatively long correlation lengths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Carrier Mobility Modulation in Cu 2 Se Composites Using Coherent Cu 4 TiSe 4 Inclusions Leads to Enhanced Thermoelectric Performance

Carrier transport engineering in bulk semiconductors using inclusion phases often results in the deterioration of carrier mobility (μ) owing to enhanced carrier scattering at phase boundaries. Here, we show by leveraging the temperature-induced structural transition between the α-Cu 2 Se and β-Cu 2 Se polymorphs that the incorporation of Cu 4 TiSe 4 inclusions within the Cu 2 Se matrix results in a gradual large drop in the carrier mobility at temperatures below 400 K (α-Cu 2 Se), whereas the carrier mobility remains unchanged at higher temperatures, where the β-Cu 2 Se polymorph dominates. The sharp discrepancy in the electronic transport within the α-Cu 2 Se and β-Cu 2 Se matrices is associated with the formation of incoherent α-Cu 2 Se/Cu 4 TiSe 4 interfaces, owing to the difference in their atomic structures and lattice parameters, which results in enhanced carrier scattering. In contrast, the similarity of the Se sublattices between β-Cu 2 Se and Cu 4 TiSe 4 gives rise to coherent phase boundaries and good band alignment, which promote carrier transport across the interfaces. Interestingly, the different cation arrangements in Cu 4 TiSe 4 and β-Cu 2 Se contribute to enhanced phonon scattering at the interfaces, which leads to a reduction in the lattice thermal conductivity. The large reduction in the total thermal conductivity while preserving the high power factor of β-Cu 2 Se in the (1–x)Cu 2 Se/(x)Cu 4 TiSe 4 composites results in an improved ZT of 1.2 at 850 K, with an average ZT of 0.84 (500–850 K) for the composite with x = 0.01. Furthermore, this work highlights the importance of structural similarity between the matrix and inclusions when designing thermoelectric materials with improved energy conversion efficiency.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Accurate additive manufacturing of lightweight and elastic carbons using plastic precursors

Despite groundbreaking advances in the additive manufacturing of polymers, metals, and ceramics, scaled and accurate production of structured carbons remains largely underdeveloped. This work reports a simple method to produce complex carbon materials with very low dimensional shrinkage from printed to carbonized state (less than 4%), using commercially available polypropylene precursors and a fused filament fabrication-based process. The control of macrostructural retention is enabled by the inclusion of fiber fillers regardless of the crosslinking degree of the polypropylene matrix, providing a significant advantage to directly control the density, porosity, and mechanical properties of 3D printed carbons. Using the same printed plastic precursors, different mechanical responses of derived carbons can be obtained, notably from stiff to highly compressible. This report harnesses the power of additive manufacturing for producing carbons with accurately controlled structure and properties, while enabling great opportunities for various applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Superconductivity in the doped quantum spin liquid on the triangular lattice

Abstract Broad interest in quantum spin liquid (QSL) phases was triggered by the notion that they can be viewed as insulating phases with preexisting electron pairs, such that upon light doping they might automatically yield high temperature superconductivity. Yet despite intense experimental and numerical efforts, definitive evidence showing that doping QSLs leads to superconductivity has been lacking. We address the problem of a lightly doped QSL through a large-scale density-matrix renormalization group study of the t - J model on finite-circumference triangular cylinders with a small but nonzero concentration of doped holes. We provide direct evidences that doping QSL can naturally give rise to d -wave superconductivity. Specifically, we find power-law superconducting correlations with a Luttinger exponent, K s c ≈ 1, which is consistent with a strongly diverging superconducting susceptibility, $${\chi }_{sc} \,\sim\, {T}^{-(2\,-\,{K}_{sc})}$$ χ s c ~ T − ( 2 − K s c ) as the temperature T → 0. The spin–spin correlations—as in the undoped QSL state—fall exponentially which suggests that the superconducting pair-pair correlations evolve smoothly from the insulating parent state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Thermal effects in molecular gas-filled hollow-core fibers

Few-cycle sources with high average powers are required for applications to attosecond science. Raman-enhanced spectral broadening of Yb-doped laser amplifiers in molecular gases can yield few-cycle pulses, but thermal excitation of vibrational and rotational degrees of freedom may preclude high-power operation. Here we investigate changes in the spectral broadening associated with repetitive laser interactions in an N 2 O -filled hollow-core fiber. By comparing experimental measurements of the spectrum associated with each laser pulse to simulations based on a density matrix model, we find that losses in a spectral bandwidth and transmission are largely dominated by thermal excitation of the gas.

Beetar, John E. (ORCID:000000032885852X)↗

NASA NTRS1974

Development of technology for fluid-structure interaction modeling of a 1/8-scale dynamic model of shuttle External Tank (ET). Volume i: Technical report

A NASTRAN analysis of the external tank (ET) substructure of the 1/8-scale space shuttle structural dynamics model is described. The NASTRAN hydroelastic procedures were used to form a model of the liquid oxygen portion of the ET. Large computer storage requirements and running times were required unless these procedures were modified. Several possibilities were demonstrated including the substitution of the real for the complex eigenvalue routine and the use of the OMIT capability to reduce the number of fluid coordinates. A NASTRAN model of the complete ET was formed and reduced to 252 degrees of freedom. A review of the eigenvector extracted, using the unsymmetrical inverse power method, indicated that the structural OMIT's resulted in unsatisfactory modal deflections. Modifications to the NASTRAN hydroelastic capability appeared necessary to generate a successful ET model. An approach is described which, by assuming incompressibility, reduces the fluid representation to a symmetric mass matrix which can be added to the structural mass. The problem is solved using faster and more efficient eigenvalue routines. Using this approach the ET NASTRAN model was analyzed for three separate weight conditions.

Bernstein, M.↗

NASA NTRS1988

Characterization of Mode 1 and Mode 2 delamination growth and thresholds in graphite/peek composites

Composite materials often fail by delamination. The onset and growth of delamination in AS4/PEEK, a tough thermoplastic matrix composite, was characterized for mode 1 and mode 2 loadings, using the Double Cantilever Beam (DCB) and the End Notched Flexure (ENF) test specimens. Delamination growth per fatigue cycle, da/dN, was related to strain energy release rate, G, by means of a power law. However, the exponents of these power laws were too large for them to be adequately used as a life prediction tool. A small error in the estimated applied loads could lead to large errors in the delamination growth rates. Hence strain energy release rate thresholds, G sub th, below which no delamination would occur were also measured. Mode 1 and 2 threshold G values for no delamination growth were found by monitoring the number of cycles to delamination onset in the DCB and ENF specimens. The maximum applied G for which no delamination growth had occurred until at least 1,000,000 cycles was considered the threshold strain energy release rate. Comments are given on how testing effects, facial interference or delamination front damage, may invalidate the experimental determination of the constants in the expression.

Martin, Roderick H.↗

NASA NTRS1990

Characterization of Mode I and Mode II delamination growth and thresholds in AS4/PEEK composites

Martin, Roderick H.↗

NASA NTRS1996

New Constraints on the Slate Islands Impact Structure, Ontario, Canada

The Slate Islands in northern Lake Superior represent the eroded remains of a complex impact crater, originally approximately 32 km in diameter. New field studies there reveal allogenic crater fill deposits along the eastern and northern portions of the islands indicating that this 500-800 Ma impact structure is not as heavily eroded as previously thought. Near the crater center, on the western side or Patterson Island, massive blocks of target rocks, enclosed within a matrix of fine-grained polymict breccia, record the extensive deformation associated with the central uplift. Shatter cones are a common structural feature on the islands and range from less than 3 cm to over 10 m in length. Although shatter cones are powerful tools for recognizing and analyzing eroded impact craters, their origin remains poorly constrained.

Sharpton, Virgil L.↗

NASA NTRS2005

Advanced Ceramic Matrix Composites (CMCs) for High Temperature Applications

Advanced ceramic matrix composites (CMCs) are enabling materials for a number of demanding applications in aerospace, energy, and nuclear industries. In the aerospace systems, these materials are being considered for applications in hot sections of jet engines such as the combustor liner, vanes, nozzle components, nose cones, leading edges of reentry vehicles, and space propulsion components. Applications in the energy and environmental industries include radiant heater tubes, heat exchangers, heat recuperators, gas and diesel particulate filters, and components for land based turbines for power generation. These materials are also being considered for use in the first wall and blanket components of fusion reactors. In the last few years, a number of CMC components have been developed and successfully tested for various aerospace and ground based applications. However, a number of challenges still remain slowing the wide scale implementation of these materials. They include robust fabrication and manufacturing, assembly and integration, coatings, property modeling and life prediction, design codes and databases, repair and refurbishment, and cost. Fabrication of net and complex shape components with high density and tailorable matrix properties is quite expensive, and even then various desirable properties are not achievable. In this presentation, a number of examples of successful CMC component development and testing will be provided. In addition, critical need for robust manufacturing, joining and assembly technologies in successful implementation of these systems will be discussed.

Singh, M.↗

DOE OSTI2026

Rheinheimera sp . T2C2 Bacterial Biofilm for Bioremediation of Cobalt(II)

Toxic metals, including cobalt, are often the cause of the contamination of rivers and lakes in mining regions. Heavy metal water pollution has been linked to numerous human health problems, prompting the need for environmental remediation. Existing techniques for removing heavy metals from water, such as chemical precipitation and filtration, produce toxic waste, are costly, or require high power consumption for pumping. Biosorption is a potential alternative strategy that is cost-effective and uses readily available and naturally produced biomass and living material to absorb pollutants. Engineering living materials, such as biofilms, which consist of living cells and a secreted polymer matrix, offer the potential to integrate toxin sensing, sequestration, and metabolism capabilities of cells to improve pollution remediation strategies. Alternative biofilm producing candidates need to be explored to implement these material capabilities. Previous biosorption studies have primarily used bacterial biofilms from known pathogens and/or generated toxic waste in the form of the absorbent material combined with the heavy metal. Here, we describe a recently isolated bacterium called Rheinheimera sp. T2C2 that forms biofilms with promising biosorption characteristics. T2C2 is an aquatic bacterium with low nutrient requirements and high biofilm production that is not known to be pathogenic. We demonstrate (1) the efficacy of Rheinheimera sp. T2C2 as a biosorbent for cobalt bioremediation; (2) how biosorption is altered by water conditions to establish the efficacy of this strategy in different environments; and (3) how the metal can be released from the biofilm for metal recycling. Our findings will provide a living materials strategy that overcomes the existing barriers for bioremediation and improves the health of ecosystems and humans through heavy metal removal and recycling.

Rheinheimera↗

DOE OSTI2022

PVwindow (Photovoltaic Window Simulator) [SWR-22-01]

PVwindow simulates photovoltaic window properties by allowing the user build stacks of thin film materials that compose the window layers. The only needed inputs are the complex refractive indices and thicknesses of the materials. The software will simulate the optical transmission, front reflection, and back reflection of the stack using the transfer matrix method. Properties specific to PV window optics such as visible transmittance and color are also calculated. The optics code extracts the number of absorbed photons in the PV absorber layer and solves the single diode equation to yield theoretical photovoltaic metrics such as power conversion efficiency, fill factor, open circuit voltage, and short circuit current of the PV window when illuminated at an arbitrary angle or from either side of the stack. The software tool ultimately allows researchers to design photovoltaic windows and simulate their properties. The software also exports files that can be read into LBL Window software or into the EnergyPlus and Open Studio building energy modeling software to determine larger scale energy impacts of PV window integration.

Wheeler, Lance↗

DOE OSTI2022

Investigating the dielectric constant of barium titanate in a polymer-matrix nanocomposite

Barium titanate (BTO) is a ferroelectric material used in capacitors because of its high bulk dielectric constant. However, the impact of the size of BTO on its dielectric constant is not yet fully understood and is highly contested. Here, we present an investigation into the dielectric constant of BTO nanoparticles with diameters ranging between 50 and 500 nm. BTO nanoparticles were incorporated into acrylonitrile butadiene styrene and injection molded into parallel plate capacitors, which were used to determine nanocomposite dielectric constants. The dielectric constants of BTO nanoparticles were obtained by combining experimental measurements with computational results from COMSOL simulations of ABS-matrix nanocomposites containing BTO. The dielectric constant of BTO was observed to be relatively constant at nanoparticle diameters as small as 200 nm but sharply declined at smaller nanoparticle sizes. Overall, these results will be useful in the development of improved energy storage and power conditioning systems utilizing BTO nanoparticles.

36 MATERIALS SCIENCE↗

DOE OSTI2022

CrossSim Inference Manual v2.0

Neural networks are largely based on matrix computations. During forward inference, the most heavily used compute kernel is the matrix-vector multiplication (MVM): $W \vec{x} $. Inference is a first frontier for the deployment of next-generation hardware for neural network applications, as it is more readily deployed in edge devices, such as mobile devices or embedded processors with size, weight, and power constraints. Inference is also easier to implement in analog systems than training, which has more stringent device requirements. The main processing kernel used during inference is the MVM.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2024

Structural Differences Between Insoluble Organic Matter in Matrix and Chondrules: Potential Insights into Pre-Parent Body Thermal Alteration

Carbon is a major molecular constituent of primitive chondrites of low petrologic grade. A majority of the carbon (>70%) is in the insoluble organic matter (IOM) fraction that cannot be extracted from the meteorite sample using polar or nonpolar solvents. The IOM is comprised of a kerogen-like macromolecular carbon (MMC) structure that consists of aromatic rings connected by highly branching aliphatic chains. Raman spectroscopy is highly sensitive to IOM due to a strong resonance enhancement that occurs for all visible excitation wavelengths, making Raman a powerful in-situ probe of IOM. The Raman spectrum of IOM consists of two primary bands, the G band originates from all carbon-carbon bonds in the MMC structure and the D band that originates from carbon 6-member ring breathing motions. The peak position and width of the G and D bands probe the structure of the IOM. Using Raman spectroscopy, the IOM structure has been shown to correlate with the thermal alteration history of the meteorite, allowing for petrologic grade classification to the tenths place in the 3.0-3.9 range. Here, we have collected Raman images of GRA 06100,41 (CR2) for the examination of the IOM spatial distribution and observe significant differences between the IOM in the matrix and chondrules.

R S Jakubek↗