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At least 1,567 records · Page 87

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DOE OSTI2018

Restructuring in high burnup UO 2 studied using modern electron microscopy

Modern electron microscopy techniques were used to conduct a thorough study of an irradiated urania fuel pellet microstructure to attempt at an understanding of high burnup structure formation in this material. The fuel was irradiated at low power to high burnups in a light water reactor, proving ideal for this purpose. Examination of grain size and orientation with strict spatial selectivity across the fuel pellet radius allowed for capturing the progression of the restructuring process, from its onset to full completion. Based on this information, the polygonization mechanism was shown to be responsible for restructuring, involving formation of low-angle grain boundaries with their initiation occurring at the original high-angle grain boundaries of the as-fabricated pellet and at the gas bubble-matrix interfaces. As a result, the low-angle character of boundaries between the subdivided grains disappeared in the fully developed high burnup structure, likely due to creep deformation in the pellet.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

We report several synergistic effects in Hg alloying of SnTe to enhance the power factor and overall figure of merit ZT. Hg alloying decreases the energy separation between the two valence bands, leading to pronounced band convergence that improves the Seebeck coefficient. Hg alloying of SnTe also significantly enlarges the band gap thereby effectively suppressing the bipolar diffusion. Collectively, this results in high ZT of similar to 1.35 at 910 K for 2% Bi-doped SnTe with 3% HgTe. The solubility limit of Hg in SnTe is less than 3 mol%, and above this level we observe HgTe precipitates in the SnTe matrix, typically trapped at grain boundary triple junctions. The strong point defect scattering of phonons caused by Hg alloying coupled with mesoscale scattering via grain boundaries contributes to a great reduction of lattice thermal conductivity. The multiple synergistic roles that Hg plays in regulating the electron and phonon transport in SnTe provide important new insights into continued optimization of SnTe-based and related materials.

Tan, Gangjian↗

DOE OSTI2025

Finite-volume formalism for physical processes with an electroweak loop integral

This study investigates finite-volume effects in physical processes that involve the combination of long-range hadronic matrix elements with electroweak loop integrals. We adopt the approach of implementing the electroweak part as the infinite-volume version, which is denoted as the EW ∞ method in this work. A general approach is established for correcting finite-volume effects in cases where the hadronic intermediate states are dominated by either a single particle or two particles. For the single-particle case, this work derives the infinite volume reconstruction method from a new perspective. For the two-particle case, we provide the correction formulas for power-law finite-volume effects and unphysical terms with exponentially divergent time dependence. The finite-volume formalism developed in this study has broad applications, including the QED corrections in various processes and the two-photon exchange contribution in 𝐾 𝐿 → 𝜇 + ⁢𝜇 − or 𝜂 → 𝜇 + ⁢𝜇 − decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Lattice QCD study of the Boer-Mulders effect in a pion

The three-dimensional momenta of quarks inside a hadron are encoded in transverse momentumdependent parton distribution functions (TMDs). Our work presents an exploratory lattice QCD study of a TMD observable in the pion describing the Boer-Mulders effect, which is related to polarized quark transverse momentum in an unpolarized hadron. The primary goal is to gain insight into the behavior of TMDs as a function of a Collins-Soper evolution parameter, $\hat{ζ}$, which quantifies the rapidity difference between the hadron momentum and a vector describing the trajectory of the struck quark, e.g., in a semiinclusive deep-inelastic scattering (SIDIS) process. The lattice calculation, performed at the pion mass m π = 518 MeV, utilizes a definition of TMDs via hadronic matrix elements of a quark bilocal operator with a staple-shaped gauge connection; in this context, the evolution parameter is related to the staple direction. By parametrizing the aforementioned matrix elements in terms of invariant amplitudes, the problem can be cast in a Lorentz frame suited for the lattice calculation. Aided by the lower mass of the pion, compared to the nucleon studied previously, the present investigation of pion TMD observables constitutes an important step towards the quantitative study of the physically important regime of large relative rapidity where the dependence on $\hat{ζ}$ appears to approach a limit. Even though matching to perturbative evolution equations in $\hat{ζ}$ is not yet available, extrapolations based on Ansätze containing inverse powers of $\hat{ζ}$ yield stable results with an uncertainty as low as 20%, and both upper and lower bounds for the asymptotics are obtained. In passing, the similarity between the Boer-Mulders effects extracted in the pion and the nucleon is indicated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

When Do Extended Physics-Informed Neural Networks (XPINNs) Improve Generalization?

Physics-informed neural networks (PINNs) have become a popular choice for solving high-dimensional partial differential equations (PDEs) due to their excellent approximation power and generalization ability. Recently, extended PINNs (XPINNs) based on domain decomposition methods have attracted considerable attention due to their effectiveness in modeling multiscale and multiphysics problems and their parallelization. However, theoretical understanding of their convergence and generalization properties remains unexplored. In this study, we take an initial step towards understanding how and when XPINNs outperform PINNs. Specifically, for general multilayer PINNs and XPINNs, we first provide a prior generalization bound via the complexity of the target functions in the PDE problem and a posterior generalization bound via the posterior matrix norms of the networks after optimization. Moreover, based on our bounds, we analyze the conditions under which XPINNs improve generalization. Concretely, our theory shows that the key building block of XPINN, namely, the domain decomposition, introduces a tradeoff for generalization. On the one hand, XPINNs decompose the complex PDE solution into several simple parts, which decreases the complexity needed to learn each part and boosts generalization. On the other hand, decomposition leads to less training data being available in each subdomain, and hence such a model is typically prone to overfitting and may become less generalizable. Empirically, we choose five PDEs to show when XPINNs perform better than, similar to, or worse than PINNs, hence demonstrating and justifying our new theory.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Development of Process for Cleanup of Sodium-CO 2 Reaction Products

This study describes Argonne’s recent experience in cleaning several kilograms of sodium mixed with solid reaction products formed bysodium-CO 2 interaction. One of the reaction products is carbon monoxide (CO) and precautions have to be taken to protect personnel from exposure to CO. Ethanol was an effective method to clean and dispose of small amounts of residual reaction products embedded in a sodium matrix. Ideally, the residual sodium should be melted out of the parts as possible in order to reduce the amount of time it would take to clean with ethanol since this process is slow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1984

Microwave thermal emission from periodic surfaces

The emissivity of a periodic surface is calculated from one minus the reflectivity by using the reciprocity principle. The reflectivity consists of the sum of all scattered power as determined from the modal theory which obeys both the principle of reciprocity and the principle of energy conservation. The theoretical results are matched to experimental data obtained from brightness temperature measurements as functions of viewing angle for soil moisture in plowed fields. The threshold phenomenon with regard to the appearing and disappearing of modes in their contributions to the scattered field amplitudes is discussed in connection with the theoretical results. It is shown that this approach for calculating the emissivity greatly reduces computational efforts by requiring substantially smaller matrix sizes.

Kong, J. A.↗

NASA NTRS1992

Using a Cray Y-MP as an array processor for a RISC Workstation

As microprocessors increase in power, the economics of centralized computing has changed dramatically. At the beginning of the 1980's, mainframes and super computers were often considered to be cost-effective machines for scalar computing. Today, microprocessor-based RISC (reduced-instruction-set computer) systems have displaced many uses of mainframes and supercomputers. Supercomputers are still cost competitive when processing jobs that require both large memory size and high memory bandwidth. One such application is array processing. Certain numerical operations are appropriate to use in a Remote Procedure Call (RPC)-based environment. Matrix multiplication is an example of an operation that can have a sufficient number of arithmetic operations to amortize the cost of an RPC call. An experiment which demonstrates that matrix multiplication can be executed remotely on a large system to speed the execution over that experienced on a workstation is described.

Lamaster, Hugh↗

NASA NTRS1997

Knowledge-Based Aircraft Automation: Managers Guide on the use of Artificial Intelligence for Aircraft Automation and Verification and Validation Approach for a Neural-Based Flight Controller

The ultimate goal of this report was to integrate the powerful tools of artificial intelligence into the traditional process of software development. To maintain the US aerospace competitive advantage, traditional aerospace and software engineers need to more easily incorporate the technology of artificial intelligence into the advanced aerospace systems being designed today. The future goal was to transition artificial intelligence from an emerging technology to a standard technology that is considered early in the life cycle process to develop state-of-the-art aircraft automation systems. This report addressed the future goal in two ways. First, it provided a matrix that identified typical aircraft automation applications conducive to various artificial intelligence methods. The purpose of this matrix was to provide top-level guidance to managers contemplating the possible use of artificial intelligence in the development of aircraft automation. Second, the report provided a methodology to formally evaluate neural networks as part of the traditional process of software development. The matrix was developed by organizing the discipline of artificial intelligence into the following six methods: logical, object representation-based, distributed, uncertainty management, temporal and neurocomputing. Next, a study of existing aircraft automation applications that have been conducive to artificial intelligence implementation resulted in the following five categories: pilot-vehicle interface, system status and diagnosis, situation assessment, automatic flight planning, and aircraft flight control. The resulting matrix provided management guidance to understand artificial intelligence as it applied to aircraft automation. The approach taken to develop a methodology to formally evaluate neural networks as part of the software engineering life cycle was to start with the existing software quality assurance standards and to change these standards to include neural network development. The changes were to include evaluation tools that can be applied to neural networks at each phase of the software engineering life cycle. The result was a formal evaluation approach to increase the product quality of systems that use neural networks for their implementation.

Broderick, Ron↗

DOE OSTI2017

Progress in Development of Fluoride-salt-cooled High-Temperature Reactors (FHRs)

Fluoride-salt-cooled High-temperature Reactors (FHRs) are a new class of reactors that use graphite-matrix coated-particle fuel with a clean liquid salt coolant. The largest university FHR program is an Integrated Research Project (IRP) sponsored by the U.S. Department of Energy and others that is led by the Massachusetts Institute of Technology (MIT) and includes the University of California at Berkeley (UCB), the University of Wisconsin (UW), and the University of New Mexico (UNM). The year 2016 was the fifth year of this program. We report herein some of the major results of work done in 2016. The base-line FHR concept studied in this IRP uses (1) graphite-matrix coated-particle fuel with a pebble bed geometry and (2) a clean liquid salt coolant-flibe (a mixture of {sup 7}LiF and BeF{sub 2}). The combination of a very high-temperature fuel with failure temperatures above 1650 deg. C, a coolant boiling point above 1400 deg. C, and a coolant that traps most fission products implies the capability to assure no major fuel failure under severe accident conditions. There are a family of FHR concepts using different fuel geometries and different fluoride salts. The power conversion system is a Nuclear Air-Brayton Combined Cycle (NACC) with peak power provided by natural gas or a Firebrick Resistance Heated Energy Storage (FIRES) system. This enables a base-load reactor to provide variable electricity to the grid that substantially increases revenue relative to base-load nuclear reactors. Most of the results reported herein are applicable to most FHR concepts as well as liquid-fueled molten salt reactors (MSRs)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Experimental Comparison of Elastomeric Materials for Hydraulic Seal Durability under Reciprocating Conditions

Wave Energy Converters (WECs) rely on hydraulic Power Take-Off (PTO) systems to transform the kinetic energy of ocean waves into electricity, where hydraulic seals play a critical role in preventing fluid leakage and ensuring watertight operation under harsh marine conditions. However, seal degradation due to wear, fatigue, and corrosion remains a key challenge limiting system reliability and increasing maintenance costs. In this study, the tribological performance of elastomeric materials for hydraulic sealing applications that are based on commercial polyurethane and custom-compounded Ethylene Propylene Diene Monomer (EPDM) is investigated. Using a CSM tribometer, reciprocating wear tests were conducted in accordance with ASTM G133 under dry sliding conditions, with normal loads ranging from 3 to 10 N, and sliding speeds of 10 to 30 mm/s. Coefficient of friction (COF), specific wear rate, and worn surface morphology are evaluated to understand how load, velocity, and material composition affect seal durability. Improved wear stability and high Shore A hardness (93–94) were demonstrated by the commercial thermoplastic polyurethane (Duralast 4203 and 4758). EPDM-based compounds showed different filler-dependent behaviors, formulations filled with carbon black (E3) had the lowest wear rate (1.45 × 10?4 mm³ N?¹ m?¹) and increased load-bearing capacity, while samples modified with silica and plasticizer (E4, E5) had better conformability and damping but less hardness. Compounded EPDMs showed wider deformation zones because of their lower modulus and filler-matrix interfacial fluctuations, while commercial grades exhibited shallower wear scars (= 380 µm), according to optical profilometry. The Archard model-based lifetime estimation showed that, under 10 N and 30 mm/s, operational endurance ranged from 3.1 to 6.2 years. Because of its low wear rate and steady interfacial behavior, E3 had the longest anticipated life. For medium-load hydraulic sealing applications, these results demonstrate the possibility of customized EPDM formulations as affordable substitutes for commercial polyurethanes. They also offer a quantitative foundation for material selection and lifespan prediction.

Durability↗

DOE OSTI2026

Rapid RASER MRI

Conventional Magnetic Resonance Imaging (MRI) relies on high-power Radio-Frequency (RF) pulses to excite nuclear spins and in turn generate NMR signals. These pulses require large high-power RF-amplifiers and cause heat deposition in the tissue, which must be minimized for safety, presenting a growing problem when moving toward ever-higher field MRI. An alternative to RF-pulse excitation is self-excitation of nuclear spins using Radiofrequency Amplification by Stimulated Emission of Radiation (RASER), where the nuclear spins undergo spontaneous transition, without RF excitation, from an over-populated state to a ground state. Here, the feasibility of recording rapid proton RASER MRI images of pyrazine at low concentration (120 mM) with large matrix (128x128 pixels) in as little as 78 ms is demonstrated at 500 MHz (11.7 T). We also recorded a time-series of images using a single bolus hyperpolarized pyrazine highlighting the feasibility of dynamic tracking. Here, the demonstrated approach allows recording MRI scans without transmit-receive electronics of the MRI scanner, which is highly desirable for portable MRI as well as the emerging field of hyperpolarized MRI using, e.g., HP protons, 129 Xe gas or HP 13 C labeled biomolecules as molecular tracers and imaging agents.

MRI↗

DOE OSTI2020

Proteomic Characterization of Damaged Single Hairs Recovered after an Explosion for Protein-Based Human Identification

Evidence recovery is challenging where an explosion has occurred. Though hair evidence may be sufficiently robust to be recovered at the site, forensic analysis underutilizes the matrix by relying on morphological analysis. Where DNA is compromised, particularly in hair, protein-based human identification presents a promising alternative. Detection of amino acid polymorphisms in hair proteins as genetically variant peptides (GVPs) permits the inference of individualizing single nucleotide polymorphisms for identification. However, an explosive blast may damage hair proteins and compromise GVP identification. This work evaluates effects of an explosive blast on the hair proteome and GVP identification, investigates microscopy as a predictor of proteome profiling success in recovered hairs to improve analysis throughput, and quantifies discriminative power in damaged hairs. The proteomics dataset has been deposited into the ProteomeXchange Consortium (PXD017427). With the exception of degradation in keratins K75, K80, K40, and keratin-associated protein KAP10-11 as markers of hair cuticular damage, corroborated by scanning electron microscopic analysis, minimal hair proteome degradation following explosion allowed successful proteome profiling of single hairs regardless of morphological damage. Finally, GVP identification remained independent of explosion conditions, permitting similar discriminative power between exploded and undamaged hairs. These findings lend greater confidence to GVP analysis in one-inch hairs for forensic identification and provide information about hair protein localization.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Statistical Multiobjective Optimization of Thiospinel CoNi 2 S 4 Nanocrystal Synthesis via Design of Experiments

Thiospinels, such as CoNi 2 S 4 , are showing promise for numerous applications, including as catalysts for the hydrogen evolution reaction, hydrodesulfurization, and oxygen evolution and reduction reactions; however, CoNi 2 S 4 has not been synthesized as small, colloidal nanocrystals with high surface-area-to-volume ratios. Traditional optimization methods to control nanocrystal attributes such as size typically rely upon one variable at a time (OVAT) methods that are not only time and labor intensive but also lack the ability to identify higher-order interactions between experimental variables that affect target outcomes. Herein, we demonstrate that a statistical design of experiments (DoE) approach can optimize the synthesis of CoNi 2 S 4 nanocrystals, allowing for control over the responses of nanocrystal size, size distribution, and isolated yield. After implementing a 2 5–2 fractional factorial design, the statistical screening of five different experimental variables identified temperature, Co:Ni precursor ratio, Co:thiol ratio, and their higher-order interactions as the most critical factors in influencing the aforementioned responses. Second-order design with a Doehlert matrix yielded polynomial functions used to predict the reaction parameters needed to individually optimize all three responses. A multiobjective optimization, allowing for the simultaneous optimization of size, size distribution, and isolated yield, predicted the synthetic conditions needed to achieve a minimum nanocrystal size of 6.1 nm, a minimum polydispersity (σ/$\bar{d}$) of 10%, and a maximum isolated yield of 99%, with a desirability of 96%. The resulting model was experimentally verified by performing reactions under the specified conditions. Furthermore, our work illustrates the advantage of multivariate experimental design as a powerful tool for accelerating control and optimization in nanocrystal syntheses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Cosmology at high redshift — a probe of fundamental physics

An observational program focused on the high redshift (2<z<6) Universe has the opportunity to dramatically improve over upcoming LSS and CMB surveys on measurements of both the standard cosmological model and its extensions. Using a Fisher matrix formalism that builds upon recent advances in Lagrangian perturbation theory, we forecast constraints for future spectroscopic and 21-cm surveys on the standard cosmological model, curvature, neutrino mass, relativistic species, primordial features, primordial non-Gaussianity, dynamical dark energy, and gravitational slip. We compare these constraints with those achievable by current or near-future surveys such as DESI and Euclid, all under the same forecasting formalism, and compare our formalism with traditional linear methods. Here, our Python code FishLSS — used to calculate the Fisher information of the full shape power spectrum, CMB lensing, the cross-correlation of CMB lensing with galaxies, and combinations thereof — is publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1981

Some properties of adiabatic blast waves in preexisting cavities

Cox and Anderson (1982) have conducted an investigation regarding an adiabatic blast wave in a region of uniform density and finite external pressure. In connection with an application of the results of the investigation to a study of interstellar blast waves in the very hot, low-density matrix, it was found that it would be desirable to examine situations with a positive radial density gradient in the ambient medium. Information concerning such situations is needed to learn about the behavior of blast waves occurring within preexisting, presumably supernova-induced cavities in the interstellar mass distribution. The present investigation is concerned with the first steps of a study conducted to obtain the required information. A review is conducted of Sedov's (1959) similarity solutions for the dynamical structure of any explosion in a medium with negligible pressure and power law density dependence on radius.

Cox, D. P.↗

DOE OSTI2021

Enhancing membrane performance for CO 2 capture from flue gas with ultrahigh MW polyvinylamine

Membranes for post-combustion CO 2 capture are required to have a high CO 2 permeance due to the limited driving force. For facilitated transport membranes synthesized with polyvinylamine (PVAm), a defect-free selective layer of <200 nm is usually required to render sufficient permeance with high CO 2 /N 2 selectivity. In order to meet such a demand through the knife-coating process, the coating solution needs to have a high viscosity at a relatively low concentration to minimize its penetration into the substrate. The demand was met by synthesizing PVAm with an ultrahigh molecular weight (MW) via inverse emulsion polymerization (IEP) in this study. Compared to solution polymerization, IEP isolates the reaction in inverse micelles suspended in a continuous organic phase, which allows excellent dissipation of the heat generated by the reaction and reduces gel formation drastically. The polymerization parameters, including monomer concentration, initiator concentration, and reaction temperature, were investigated to obtain the optimal MW of PVAm for membrane performance. As compared to solution polymerization, IEP enhanced the MW of PVAm from 1.2 to 12.7 MDa, which minimized the penetration of the coating solution into the substrate and hence the extra mass transfer resistance. The effect of MW and degree of hydrolysis of PVAm on the membrane transport properties were studied. Furthermore, by employing PVAm with a MW of 12.7 MDa to strengthen the polymer matrix, the loading of piperazine glycinate in the membrane was increased up to 85 wt.%. In conclusion, the resultant membrane achieved a CO 2 permeance of 839 GPU and a CO 2 /N 2 selectivity of 161 at the typical flue gas temperature of 57°C.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Renormalization of beta decay at three loops and beyond

The anomalous dimension for heavy-heavy-light effective theory operators describing nuclear beta decay is computed through three-loop order in the static limit. The result at order Z 2 α 3 corrects a previous result in the literature. An all-orders symmetry is shown to relate the anomalous dimensions at leading and subleading powers of Z at a given order of α . The first unknown coefficient for the anomalous dimension now appears at O ( Z 2 α 4 ) . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗