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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

LLM Generation of Online Courses from a Curated Set of Documents in the Nuclear Safeguards Domain

A multidisciplinary team at Argonne National Laboratory explores the application of advanced technologies to enhance knowledge transfer and retention within the nuclear safeguards domain. Specifically, it examines the feasibility of leveraging secure large language models (LLMs) to streamline the creation of e-learning modules for the U.S. National Nuclear Security Administration (NNSA) Office of International Nuclear Safeguards (NA-241). The initiative addresses the critical need for preserving institutional memory and accelerating skill development amidst the imminent retirement of senior professionals in the field in addition to supporting good knowledge management practices. The project integrates instructional design theory with cutting-edge AI technologies to transform curated document sets from the Safeguards Knowledge Repository (SKR) into modular online courses. By automating the generation of learning objectives and instructional content, the effort aims to reduce manual effort while maintaining high-quality educational outcomes. A limited measure of human supervision, however, ensures accuracy, relevance, and alignment with NNSA’s strategic priorities. Key findings highlight the potential of AI-assisted course generation to support safeguards professionals by creating structured, interactive learning experiences. The report underscores the importance of SME validation to address limitations in AI-generated content, such as terminology errors and gaps in coverage. Recommendations include adopting a structured workflow combining LLM acceleration with expert oversight to ensure accuracy, usability, and alignment with learner needs. This work demonstrates Argonne’s commitment to advancing national security and scientific excellence through innovative knowledge management solutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

Modeling of streamflow in a 30 km long reach spanning 5 years using OpenFOAM 5.x

Abstract. Developing accurate and efficient modeling techniques for streamflow at the tens-of-kilometers spatial scale and multi-year temporal scale is critical for evaluating and predicting the impact of climate- and human-induced discharge variations on river hydrodynamics. However, achieving such a goal is challenging because of limited surveys of streambed hydraulic roughness, uncertain boundary condition specifications, and high computational costs. We demonstrate that accurate and efficient three-dimensional (3-D) hydrodynamic modeling of natural rivers at 30 km and 5-year scales is feasible using the following three techniques within OpenFOAM, an open-source computational fluid dynamics platform: (1) generating a distributed hydraulic roughness field for the streambed by integrating water-stage observation data, a rough wall theory, and a local roughness optimization and adjustment strategy; (2) prescribing the boundary condition for the inflow and outflow by integrating precomputed results of a one-dimensional (1-D) hydraulic model with the 3-D model; and (3) reducing computational time using multiple parallel runs constrained by 1-D inflow and outflow boundary conditions. Streamflow modeling for a 30 km long reach in the Columbia River (CR) over 58 months can be achieved in less than 6 d using 1.1 million CPU hours. The mean error between the modeled and the observed water stages for our simulated CR reach ranges from −16 to 9 cm (equivalent to approximately ±7 % relative to the average water depth) at seven locations during most of the years between 2011 and 2019. We can reproduce the velocity distribution measured by the acoustic Doppler current profiler (ADCP). The correlation coefficients of the depth-averaged velocity between the model and ADCP measurements are in the range between 0.71 and 0.83 at 75 % of the survey cross sections. With the validated model, we further show that the relative importance of dynamic pressure versus hydrostatic pressure varies with discharge variations and topography heterogeneity. Given the model's high accuracy and computational efficiency, the model framework provides a generic approach to evaluate and predict the impacts of climate- and human-induced discharge variations on river hydrodynamics at tens-of-kilometers and decadal scales.

58 GEOSCIENCES↗
DOE OSTI2024

Thermodynamic stability of a spin microemulsion in Rashba spin-orbit-coupled bosons

Recent finite-temperature numerical simulations have unveiled a quantum “spin” microemulsion analog, found by raising the temperature of a stripe supersolid phase in a Rashba spin-orbit coupled Bose gas. This microemulsion state is a highly correlated, isotropic normal fluid where atoms self-arrange based on their internal pseudospin into patterns that resemble bicontinuous microemulsions. This finding leaves several open questions regarding the broader accessibility of this phase in experiments. Here, we use equilibrium finite-temperature numerical simulations based on a coherent-state path integral representation to perform a computational investigation into the thermodynamic stability of the spin microemulsion state. Numerical simulations emphasize the requirement of a nearly, but not perfectly, isotropic spin-orbit coupling in order to achieve the microemulsion phase in cold-atom experiments. Moreover, the microemulsion state exists independent of miscibility of the pseudospin components and for a wide range of pseudospin population imbalance, suggesting a high degree of flexibility in choosing the atom and hyperfine states in an experimental realization. Lastly, we demonstrate this feasibility by mimicking a Rashba spin-orbit-coupled 87 Rb experiment in an isotropic harmonic trap, where we confirm the microemulsion's existence via its density profile and equilibrium quasimomentum distribution.

Complex Langevin dynamics↗
NASA NTRS1992

MOM3D method of moments code theory manual

MOM3D is a FORTRAN algorithm that solves Maxwell's equations as expressed via the electric field integral equation for the electromagnetic response of open or closed three dimensional surfaces modeled with triangle patches. Two joined triangles (couples) form the vector current unknowns for the surface. Boundary conditions are for perfectly conducting or resistive surfaces. The impedance matrix represents the fundamental electromagnetic interaction of the body with itself. A variety of electromagnetic analysis options are possible once the impedance matrix is computed including backscatter radar cross section (RCS), bistatic RCS, antenna pattern prediction for user specified body voltage excitation ports, RCS image projection showing RCS scattering center locations, surface currents excited on the body as induced by specified plane wave excitation, and near field computation for the electric field on or near the body.

Shaeffer, John F.↗
DOE OSTI2025

16 O Electroweak Response Functions from First Principles

We present calculations of various electroweak response functions for the 16 O nucleus obtained using coupled-cluster theory in conjunction with the Lorentz integral transform method. We employ nuclear forces derived at next-to-leading order and next-to-next-to-leading order in chiral effective field theory and perform a Bayesian analysis to assess uncertainties. Our results are in good agreement with available electron-scattering data at |𝐪|≈326 MeV/c. Additionally, we provide several predictions for the weak response functions in the quasielastic peak region at |𝐪| =300 and 400 MeV/c, which are critical for long-baseline neutrino experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Topological Invariant of Manifolds in Slawianowski’s Field Theory [Slides]

Witten constructed topological invariants of manifolds by introducing actions depending only on smooth structures of the manifold without using a metric. He focused on an example of Chern-Simons’ theory on 3D manifolds. Slawianowski based his field theory on frame/coframe fields without a metric. A Witten-type topological invariant can be introduced in Slawianowski’s framework, using an integral over the reper fields. Such invariant behaves differently for group manifolds than for all others. It additionally distinguishes semi-simple Lie group manifolds from other group manifolds. Further study of this new invariant is needed, including possible generalizations to other field theories.

42 ENGINEERING↗
DOE OSTI2022

Generalized entanglement entropies in two-dimensional conformal field theory

We introduce and study generalized Rényi entropies defined through the traces of products of Tr B (| Ψ i $\rangle$$\langle$Ψ j | ) where |Ψ i $\rangle$ are eigenstates of a two-dimensional conformal field theory (CFT). When |Ψ i $\rangle$ = |Ψ j $\rangle$ these objects reduce to the standard Rényi entropies of the eigenstates of the CFT. Exploiting the path integral formalism, we show that the second generalized Rényi entropies are equivalent to four point correlators. We then focus on a free bosonic theory for which the mode expansion of the fields allows us to develop an efficient strategy to compute the second generalized Rényi entropy for all eigenstates. As a byproduct, our approach also leads to new results for the standard Rényi and relative entropies involving arbitrary descendent states of the bosonic CFT.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1971

Numerical solution of stiff systems of ordinary differential equations with applications to electronic circuits

Systems of ordinary differential equations in which the magnitudes of the eigenvalues (or time constants) vary greatly are commonly called stiff. Such systems of equations arise in nuclear reactor kinetics, the flow of chemically reacting gas, dynamics, control theory, circuit analysis and other fields. The research reported develops an A-stable numerical integration technique for solving stiff systems of ordinary differential equations. The method, which is called the generalized trapezoidal rule, is a modification of the trapezoidal rule. However, the method is computationally more efficient than the trapezoidal rule when the solution of the almost-discontinuous segments is being calculated.

Rosenbaum, J. S.↗
NASA NTRS1994

The transition from diapirism to dike intrusion: Implications for planetary volcanism

Magma transport processes influence the rate of magma transport and how far the magma travels before it freezes, the degree to which the magma communicates chemically with the host rock, the morphology of volcanic landforms on planetary surfaces, the interplay between magmatism and regional tectonics, and even the direction the magma moves. The primary question motivating this research is: How does magma rheology influence the mechanisms by which it is transported through planetary lithospheres? It is widely recognized that on Earth basaltic intrusions typically take the form of narrow dikes, while granites are typically found in more equidimensional plutons. Several explanations for this observation were offered over the last 50 years. While basalts and rhyolites vary somewhat in temperature and density, the major difference is the 2 to 8 orders of magnitude contrast in viscosity. The significant ductile strains associated with many granitic plutons has led to the statement that the occurrence of granites in diapirs rather than dikes results from the fact that there is insufficient viscosity contrast between the magma and wall rock for the granite to intrude narrow cracks. A second explanation states that granites are so viscous that they cannot propagate far before freezing. Despite the length of time these explanations have been around, there has been relatively little effort to investigate them quantitatively. My goal has been to evaluate these explanations through a series of well-posed numerical models. These models can be tested by the decades of field data collected by structural geologists that have yet to be integrated into any coherent theory, and the results should have important implications for volcanism on the terrestrial planets.

Rubin, Allan M.↗
NASA NTRS1985

A multiple scattering theory for EM wave propagation in a dense random medium

For a dense medium of randomly distributed scatterers an integral formulation for the total coherent field has been developed. This formulation accounts for the multiple scattering of electromagnetic waves including both the twoand three-particle terms. It is shown that under the Markovian assumption the total coherent field and the effective field have the same effective wave number. As an illustration of this theory, the effective wave number and the extinction coefficient are derived in terms of the polarizability tensor and the pair distribution function for randomly distributed small spherical scatterers. It is found that the contribution of the three-particle term increases with the particle size, the volume fraction, the frequency and the permittivity of the particle. This increase is more significant with frequency and particle size than with other parameters.

Karam, M. A.↗
DOE OSTI2021

Low-energy effective quantum field theoretic description of excitations about soliton configurations

Solitons are the classical field configurations connecting two trivial vacua. These are also the solutions of classical field equations of motion with particle-like properties. Moreover, they are localized in space, having finite energy, and are stable against decay into radiation. The coherent state description of kink-solitons is discussed in the present article. Further, the relation between topological solitons and occupation numbers corresponding to low momentum excitations are also discussed coherently. The description of the low energy excitations about solitons in quantum field theory is the main theme of this article. Further, a few physical observables, namely some low order correlation functions, are computed up to certain integral forms. Furthermore, we have shown that it is possible to detect the presence of soliton-like classical configurations in many-particle systems from the nature of the one-point function and non-conservation of momentum feature of one-point, two-point and three-point functions in this low-energy effective field theory of these excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1996

Artificial Boundary Conditions Based on the Difference Potentials Method

While numerically solving a problem initially formulated on an unbounded domain, one typically truncates this domain, which necessitates setting the artificial boundary conditions (ABC's) at the newly formed external boundary. The issue of setting the ABC's appears to be most significant in many areas of scientific computing, for example, in problems originating from acoustics, electrodynamics, solid mechanics, and fluid dynamics. In particular, in computational fluid dynamics (where external problems present a wide class of practically important formulations) the proper treatment of external boundaries may have a profound impact on the overall quality and performance of numerical algorithms. Most of the currently used techniques for setting the ABC's can basically be classified into two groups. The methods from the first group (global ABC's) usually provide high accuracy and robustness of the numerical procedure but often appear to be fairly cumbersome and (computationally) expensive. The methods from the second group (local ABC's) are, as a rule, algorithmically simple, numerically cheap, and geometrically universal; however, they usually lack accuracy of computations. In this paper we first present a survey and provide a comparative assessment of different existing methods for constructing the ABC's. Then, we describe a relatively new ABC's technique of ours and review the corresponding results. This new technique, in our opinion, is currently one of the most promising in the field. It enables one to construct such ABC's that combine the advantages relevant to the two aforementioned classes of existing methods. Our approach is based on application of the difference potentials method attributable to V. S. Ryaben'kii. This approach allows us to obtain highly accurate ABC's in the form of certain (nonlocal) boundary operator equations. The operators involved are analogous to the pseudodifferential boundary projections first introduced by A. P. Calderon and then also studied by R. T. Seeley. The apparatus of the boundary pseudodifferential equations, which has formerly been used mostly in the qualitative theory of integral equations and PDE'S, is now effectively employed for developing numerical methods in the different fields of scientific computing.

Tsynkov, Semyon V.↗
NASA NTRS1997

The Reduction of Ducted Fan Engine Noise Via A Boundary Integral Equation Method

The development of a Boundary Integral Equation Method (BIEM) for the prediction of ducted fan engine noise is discussed. The method is motivated by the need for an efficient and versatile computational tool to assist in parametric noise reduction studies. In this research, the work in reference 1 was extended to include passive noise control treatment on the duct interior. The BEM considers the scattering of incident sound generated by spinning point thrust dipoles in a uniform flow field by a thin cylindrical duct. The acoustic field is written as a superposition of spinning modes. Modal coefficients of acoustic pressure are calculated term by term. The BEM theoretical framework is based on Helmholtz potential theory. A boundary value problem is converted to a boundary integral equation formulation with unknown single and double layer densities on the duct wall. After solving for the unknown densities, the acoustic field is easily calculated. The main feature of the BIEM is the ability to compute any portion of the sound field without the need to compute the entire field. Other noise prediction methods such as CFD and Finite Element methods lack this property. Additional BIEM attributes include versatility, ease of use, rapid noise predictions, coupling of propagation and radiation both forward and aft, implementable on midrange personal computers, and valid over a wide range of frequencies.

Tweed, J.↗
DOE OSTI2022

Approximate symmetries in d = 4 CFTs with an Einstein gravity dual

By applying the stress-tensor-scalar operator product expansion (OPE) twice, we search for algebraic structures in d = 4 conformal field theories (CFTs) with a pure Einstein gravity dual. We find that a rescaled mode operator defined by an integral of the stress tensor T ++ on a d = 2 plane satisfies a Virasoro-like algebra when the dimension of the scalar is large. The structure is enhanced to include a Kac-Moody-type algebra if we incorporate the T -- component. In our scheme, the central terms are finite. It remains challenging to directly compute the stress-tensor sector of d = 4 scalar four-point functions at large central charge, which, based on holography and bootstrap methods, were recently shown to have a Virasoro/ $\mathcal{W}$-algebra vacuum block-like structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

36 MATERIALS SCIENCE↗
DOE OSTI2023

First-principles molten salt phase diagrams through thermodynamic integration

Precise prediction of phase diagrams in molecular dynamics simulations is challenging due to the simultaneous need for long time and large length scales and accurate interatomic potentials. Here, we show that thermodynamic integration from low-cost force fields to neural network potentials trained using density-functional theory (DFT) enables rapid first-principles prediction of the solid–liquid phase boundary in the model salt NaCl. We use this technique to compare the accuracy of several DFT exchange–correlation functionals for predicting the NaCl phase boundary and find that the inclusion of dispersion interactions is critical to obtain good agreement with experiment. Importantly, our approach introduces a method to predict solid–liquid phase boundaries for any material at an ab initio level of accuracy, with the majority of the computational cost at the level of classical potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Utilizing numerical techniques in turbofan inlet acoustic suppressor design

Numerical theories in conjunction with previously published analytical results are used to augment current analytical theories in the acoustic design of a turbofan inlet nacelle. In particular, a finite element-integral theory is used to study the effect of the inlet lip radius on the far field radiation pattern and to determine the optimum impedance in an actual engine environment. For some single mode JT15D data, the numerical theory and experiment are found to be in a good agreement.

Baumeister, K. J.↗