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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Muon capture on the deuteron in chiral effective field theory

Here, we consider the capture of a muon on a deuteron. An uncertainty analysis of the dominant channels is important for a careful analysis of forthcoming experimental data. We quantify the theoretical uncertainties of chiral effective-field-theory predictions of the muon-deuteron capture rate from the relevant neutron-neutron partial wave channels in the final state. We study the dependence on the cutoff used to regularize the interactions, low-energy constants calibrated using different fitting data and strategies, and truncation of the effective-field-theory expansion of the currents. Combining these approaches gives as an estimate of $Γ^{1/2}_{μd}$ = 399.1 ± 7.6 ± 4.4 s –1 for capture from the atomic doublet state, and $Γ^{3/2}_{μd}$= 12.31 ± 0.47 ± 0.04 s –1 for capture from the quartet state and the first and second uncertainties given here are due to the effective field theory truncation error and the uncertainty in the axial radius, respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Be like Oppenheimer: Donate your weapons information for the next generation of LANL researchers

You can follow the Lab’s first physicists, J. Robert Oppenheimer, Richard Feynman, Hans Bethe, and so many others through the years, plus know your information is helping future researchers — just like our first scientists did for you. How? Donate your physical or digital classified weapons records to the Lab’s National Security Research Center (NSRC), said Riz Ali, NSRC Director. The NSRC houses 80 years’ worth of one-of-kind records, which total in the millions and include nearly every medium imaginable. It is the Laboratory’s largest collection of research materials and the largest classified library of any Department of Energy lab. It all started with Oppenheimer, our first Lab director, and his Technical Library that was established during the Manhattan Project, which was the U.S. government’s top-secret effort to create the first atomic bombs to help end World War II. “Few NSRC patrons are aware that most of its vital materials come from the Lab’s own workforce,” said Chris C’de Baca, the NSRC’s Group Leader. “A significant portion of our critical material — which today’s researchers access regularly — is a direct contribution from research scientists. If people don’t contribute, then we won’t have the information we need when people come to the NSRC for research.”

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

Active electrochemical interfaces stabilized through self-organized potential oscillations

Some electrochemical systems are known to have higher average efficiency when operated under an oscillatory regime. Given the compromise between activity and stability, the stability of electrochemical interfaces in a self-organized, oscillatory state must be taken into account. Here we evaluate the electro-oxidation of methanol and formic acid on platinum under regular and oscillatory conditions, and study the stability by following the Pt dissolution rates in situ with a stationary probe rotating disk electrode (SPRDE) coupled to an inductively coupled plasma mass spectrometer (ICP-MS). Generally speaking, as the electro-oxidation reaction proceeds, the platinum dissolution rate increases considerably. To guarantee Pt stability, the potential must be kept below 1.0 V vs. RHE. Interestingly, no dissolution is detectable when the electrode potential undergoes temporary self-organization, ensuring a stable and active interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Atomistic simulations of He bubbles in Beryllium

Formation of He bubbles can have a significant effect on the microstructural evolution and properties of irradiated materials. In this report, we use atomistic simulations based on machine learning potentials to investigate the fundamental behavior of He bubbles in Be, with a specific focus on the shape, stability, and diffusivity of bubbles. Stability of He bubbles is quantified in terms of formation energies, which are determined as a function of the ratio of He/V. We find that He bubbles become unstable with respect to plastic deformation through punch-out dislocations around the bubble when the He/V ratio is larger than ~1.25, and the punch-out process induces the change of the regular bubble shape. In general, the bubble shape of He in Be is found to be ellipsoid-like. It is also found that for a fixed He/V ratio, the bubble attracts vacancies to become larger in size. If the bubble size is constant, the bubble attracts additional He atoms until the punch-out reaction occurs. The dominant diffusion mechanism of He bubbles changes from surface diffusion to volume diffusion as the temperature is increased, with a crossover occurring at about 900 K.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Binary Control Pulse Optimization for Quantum Systems

Quantum control aims to manipulate quantum systems toward specific quantum states or desired operations. Designing highly accurate and effective control steps is vitally important to various quantum applications, including energy minimization and circuit compilation. In this paper we focus on discrete binary quantum control problems and apply different optimization algorithms and techniques to improve computational efficiency and solution quality. Specifically, we develop a generic model and extend it in several ways. We introduce a squared L 2 -penalty function to handle additional side constraints, to model requirements such as allowing at most one control to be active. We introduce a total variation (TV) regularizer to reduce the number of switches in the control. We modify the popular gradient ascent pulse engineering (GRAPE) algorithm, develop a new alternating direction method of multipliers (ADMM) algorithm to solve the continuous relaxation of the penalized model, and then apply rounding techniques to obtain binary control solutions. We propose a modified trust-region method to further improve the solutions. Our algorithms can obtain high-quality control results, as demonstrated by numerical studies on diverse quantum control examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1986

The largest molecular cloud complexes in the first galactic quadrant

The Columbia CO survey of the first Galactic quadrant was used to determine the locations and physical properties of the largest molecular complexes in the inner Galaxy. Within the range of the survey (l = 12-60 deg), 26 complexes were detected with masses greater than 5 x 10 to the 5th solar masses, and roughly several hundred such complexes are deduced to exist throughout the Galaxy within the solar circle. These complexes are the parent objects of much of the Population I in the Galaxy. Distances to most of the complexes were determined kinematically, the distance ambiguity being resolved with the aid of associated H II regions, OB associations, masers, and other early Population I objects. The largest complexes are good tracers of spiral structure, the Sagittarius arm in particular being delineated with unprecedented clarity. A total of 17 large complexes are distributed rather uniformly along a 15 kpc stretch of the arm with a spacing comparable to that of the strings of regularly spaced H Ii regions observed in external galaxies. Power-law relations exist between the line widths and sizes of the complexes and between their densities and sizes. The forms of these relations are in good agreement with those found previously and are extended by roughly an order of magnitude in cloud mass.

Dame, T. M.↗
NASA NTRS1997

Analysis of Solar Spectral Irradiance Measurements from the SBUV/2-Series and the SSBUV Instruments

The NOAA-9 SBEV/2 instrument has made the first regular measurements ot solar UV activity over a complete solar cycle, beginning in March 1985 and continuing as of this writing. The NOAA-9 solar irradiance data set includes the minimum between Cycles 21-22 and the current minimum at the end of Cycle 22. Although overall solar activity is low during these periods, 27-day rotational modulation is frequently present. The episode of 13-day periodicity observed during September 1994 - March 1995 shows that phenomena previously associated with high levels of solar activity can occur at any point in the solar cycle. The 205 nm irradiance and Mg II index measured by NOAA-9 showed very similar behavior during the Cycle 21-22 minimum in 1985-1986, when 27-day periodicity dominated short-term solar variations, but behaved differently in 1994-1995 during the episode of 13-day periodicity. We plan further investigations into the physical causes of this result, since it affects the extent to which the Mg II index is an accurate proxy for 205 nm irradiance variations during such episodes. The NOAA-9 Mg II data are available.

Cebula, Richard P.↗
NASA NTRS2012

A Survey of Geologic Resources

This chapter focuses on the resources available from the Moon itself: regolith, geologically concentrated materials, and lunar physical features that will enable habitation and generation of power on the surface. This chapter briefly covers the formation of the Moon and thus the formation of the crust of the Moon, as well as the evolution of the regolith. The characteristics of the regolith are provided in some detail, including its mineralogy and lithology. The location of high concentrations of specific minerals or rocks is noted. Other ideal locations for in situ resource utilization technology and lunar habitation are presented. This chapter is intended to be a brief review of current knowledge, and to serve as a foundational source for further study. Each concept presented here has a wealth of literature associated with it; the reader is therefore directed to that literature with each discussion. With great interest in possible manned lunar landings and continued study of the Moon by multiple satellites, the available information changes regularly.

Edmonson, Jennifer↗
DOE OSTI2024

Evaluating the Effects of Detector Modeling Uncertainties on Sterile Neutrino Oscillation Analysis with the ICARUS Detector

he ICARUS T600 LArTPC detector was refurbished after an initial run at the underground LNGS labs and is currently taking data within its experimental hall at Fermilab after full commissioning. Regular data taking began in May 2021 with neutrinos from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI) off-axis beam. As the far detector of the Short-Baseline Neutrino (SBN) Program, the ICARUS detector's capability in searching for both muon neutrino disappearance and electron neutrino appearance will allow for unprecedented sensitivity to light sterile neutrinos with eV-scale mass. The ultimate sensitivity of the detector to sterile neutrino oscillations depends on the understanding of the detector response and the uncertainties remaining after calibrating the detector model. This poster will review how detector-model-related uncertainties are quantified, evaluated and their impact on expected sterile neutrino oscillation sensitivities using the existing ICARUS data. The work pursued here is broadly applicable to other ICARUS analysis pathways such as neutrino-argon cross-sections and Beyond the Standard Model physics searches. It will finally discuss improvement pathways to reduce the systematic uncertainties to the level needed for the joint sterile neutrino oscillation analysis with the Short Baseline Near Detector (SBND) within the SBN Program.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Regularization prescription for the mixing between nonlocal gluon and quark operators

It is well known that in the study of mixing between nonlocal gluon and quark bilinear operators there exists an ambiguity when relating coordinate space and momentum space results. In this work, we show that this ambiguity is due to the lack of a proper regularization prescription of the singularity that arises when the separation between the gluon/quark fields approaches zero. We then demonstrate that dimensional regularization resolves this issue and yields consistent results in both coordinate and momentum space. This prescription is also compatible with lattice extractions of parton distributions from nonlocal operators.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRSDate not supplied

Laser Beam Welding for in-Space Joining Demonstrated Under Vacuum on the Ground and By Parabolic Flight Experiments

High energy density electron beam welding enabled the first and, to date, only American weld performed in space during the M551 experiment on Skylab in 1973. Though welding is critical to 90% of durable goods manufacturing in America, there is not yet regular and reliable application of welding processes to the In-space Servicing, Assembly, and Manufacturing (ISAM) sector. Fundamental studies are needed to develop basic capabilities and to enhance fundamental process knowledge, which will support follow-on efforts to mature in-space welding for use in commercial, defense, and other aerospace applications. The current work seeks to build on past flights and improve understanding and quantification of materials joining in space conditions using laser beam welding (LBW). LBW offers several advantages over the electron beam welding of Skylab, amongst others: reduced electromagnetic interference, less exposure of operators to ionizing radiation, and flexible delivery through optical fibers supporting unique workpieces and joints. Since there is no orbital laboratory to mature laser beam welding for space, the current effort addresses maturation of laser beam welding through parabolic flights augmented with data collection to enable numerical modeling efforts that capture the physical effects of the space environment. This team has retrofitted an LBW experimental apparatus that can simulate the vacuum and, during a parabolic flight, the reduced gravity & microgravity conditions of in-space welding. A team of Capstone students modified the setup, originally developed by NASA Langley Research Center for electron beam free-form fabrication, to replace its electron gun with a 1 kW, 1070 nm Yb fiber laser. The apparatus was further instrumented with temperature sensing and high-speed welding cameras to monitor and record changes in the thermal state of the workpiece, the melt pool, the laser penetration level, and the development and orientation of spatter & plumes. The system will operate autonomously, demonstrating its utility to uncrewed missions. During upcoming parabolic flight campaigns expected summer 2024, this LBW equipment will weld common aerospace alloys of aluminum, stainless steel, and titanium under conditions representative of the space environment. This data will guide future computational modeling efforts of laser welding in space and help to qualify in-space welding as a viable ISAM technique.

laser beam welding↗
DOE OSTI2022

Neural network–based pore flow field prediction in porous media using super resolution

Direct pore-scale simulations of fluid flow through porous media are computationally expensive to perform for realistic systems. Previous works have demonstrated using the geometry of the microstructure of porous media to predict the velocity fields therein based on neural networks. However, such trained neural networks do not perform well for unseen porous media with a large degree of heterogeneity. In this study we propose that incorporating a coarse velocity field in the input of neural networks is an effective way to improve the prediction performance. The coarse velocity field can be simulated with a low computational cost and provides global information to regularize the ill-posedness of the learning problem, which is usually caused by the use of local geometries due to the computational resource constraints. We show that incorporating the coarse-mesh velocity field significantly improves the prediction accuracy of the fine-mesh velocity field by comparison to the prediction that relies on geometric information alone, especially for the porous medium with a large interior vuggy pore space. We also show the flexibility of training the network in using coarse velocity fields with various resolutions. The results suggest that even using coarse velocity field with a very low resolution, the predictions are still enhanced and close to the ground truths. The feasibility of the method is further demonstrated by testing the trained network on real rocks. This study highlights the merits of incorporating a coarse-mesh velocity field into the input for neural networks, which provides global, physics-based information for the model, thereby improving the model's generalization capability.

42 ENGINEERING↗
DOE OSTI2022

Kinetics-Informed Neural Networks

Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction performance and the rational design of chemical processes. Here, we utilize feed-forward artificial neural networks as basis functions to solve ordinary differential equations (ODEs) constrained by differential algebraic equations (DAEs) that describe microkinetic models (MKMs). We present an algebraic framework for the mathematical description and classification of reaction networks, types of elementary reaction, and chemical species. Under this framework, we demonstrate that the simultaneous training of neural nets and kinetic model parameters in a regularized multi-objective optimization setting leads to the solution of the inverse problem through the estimation of kinetic parameters from synthetic experimental data. We analyze a set of scenarios to establish the extent to which kinetic parameters can be retrieved from transient kinetic data, and assess the robustness of the methodology with respect to statistical noise. Furthermore, this approach to inverse kinetic ODEs can assist in the elucidation of reaction mechanisms based on transient data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding Gas Absorption in Multivalent Ionic Liquids via Solute-Solvent Interaction Analyses

Solute-solvent interactions are often evaluated to understand and explain gas solubilities. This information is regularly used to interpret gas solubility and separation within ionic liquids (ILs). Here, we use several different quantum chemical and previous molecular dynamics simulation results to show that strong solute-solvent interactions neither lead to high solubility nor to high selectivity, with respect to other solutes. Instead, the solute-solvent interaction strength with different isolated IL ions is affected by the electrostatic extremes. Also, the solute-solvent interaction with different IL molecules is strongly correlated to the molecular volumes or polarizabilities (within a series of same-anion based ILs).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ergodic and nonergodic many-body dynamics in strongly nonlinear lattices

The study of nonlinear oscillator chains in classical many-body dynamics has a storied history going back to the seminal work of Fermi et al. [Los Alamos Scientific Laboratory Report No. LA-1940, 1955 (unpublished)]. Here, we introduce a family of such systems which consist of chains of N harmonically coupled particles with the nonlinearity introduced by confining the motion of each individual particle to a box or stadium with hard walls. The stadia are arranged on a one-dimensional lattice but they individually do not have to be one dimensional, thus permitting the introduction of chaos already at the lattice scale. For the most part we study the case where the motion is entirely one dimensional. We find that the system exhibits a mixed phase space for any finite value of N . Computations of Lyapunov spectra at randomly picked phase space locations and a direct comparison between Hamiltonian evolution and phase space averages indicate that the regular regions of phase space are not significant at large system sizes. While the continuum limit of our model is itself a singular limit of the integrable sinh Gordon theory, we do not see any evidence for the kind of nonergodicity famously seen in the work of Fermi et al. Finally, we examine the chain with particles confined to two-dimensional stadia where the individual stadium is already chaotic and find a much more chaotic phase space at small system sizes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Optimizing Fast Charging and Wetting in Lithium-Ion Batteries with Optimal Microstructure Patterns Identified by Genetic Algorithm

To sustain the high-rate current required for fast charging electric vehicle batteries, electrodes must exhibit sufficiently high effective ionic diffusion. Additionally, to reduce battery manufacturing costs, wetting time must decrease. Both of these issues can be addressed by structuring the electrodes with mesoscale pore channels. However, their optimal spatial distribution, or patterns, is unknown. Herein, a genetic algorithm has been developed to identify these optimal patterns using a CPU-cheap proxy distance-based model to evaluate the impact of the added pore networks. Both coin-cell and pouch cell form factors have been considered for the wetting analysis, with their respective electrolyte infiltration mode. Regular hexagonal and mud-crack-like patterns, respectively, for fast charging and fast wetting were found to be optimal and have been compared with pre-determined, easier to manufacture, patterns. The model predicts that using cylindrical channels arranged in a regular hexagonal pattern is ∼6.25 times more efficient for fast charging as compared to grooved lines with both structuring strategies being restricted to a 5% electrode total volume loss. The model also shows that only a very limited electrode volume loss (1%–2%) is required to dramatically improve the wetting (5–20 times) compared to an unstructured electrode.

25 ENERGY STORAGE↗
DOE OSTI2026

On the Trotter Error in Many-body Quantum Dynamics with Coulomb Potentials

Efficient simulation of many-body quantum systems is central to advances in physics, chemistry, and quantum computing, with a key question being whether the simulation cost scales polynomially with the system size. Here, in this work, we analyze many-body quantum systems with Coulomb interactions, which are fundamental to electronic and molecular systems. We prove that Trotterization for such unbounded Hamiltonians achieves a 1/4-order convergence rate, with explicit polynomial dependence on the number of particles. The result holds for all initial wavefunctions in the domain of the Hamiltonian, and the 1/4-order convergence rate is optimal, as previous work has numerically demonstrated that it can be saturated by a specific initial ground state. The main challenges arise from the many-body structure and the singular nature of the Coulomb potential. Our proof strategy differs from prior state-of-the-art Trotter analyses, addressing both difficulties in a unified framework. Our analysis treats the Coulomb potential as an unbounded operator without modification or regularization, and does not rely on spatial discretization, making it compatible with both first- and second-quantized circuit constructions.

Fang, Di [Duke Univ., Durham, NC (United States)]↗
DOE OSTI2025

Enhancing Interpretability in Generative Modeling: Statistically Disentangled Latent Spaces Guided by Generative Factors in Scientific Datasets

This study addresses the challenge of statistically extracting generative factors from complex, high-dimensional datasets in unsupervised or semi-supervised settings. We investigate encoder-decoder-based generative models for nonlinear dimensionality reduction, focusing on disentangling low-dimensional latent variables corresponding to independent physical factors. Introducing Aux-VAE, a novel architecture within the classical Variational Autoencoder framework, we achieve disentanglement with minimal modifications to the standard VAE loss function by leveraging prior statistical knowledge through auxiliary variables. These variables guide the shaping of the latent space by aligning latent factors with learned auxiliary variables. We validate the efficacy of Aux-VAE through comparative assessments on multiple datasets, including astronomical simulations.

97 MATHEMATICS AND COMPUTING↗