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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Resolving turbulent magnetohydrodynamics: a hybrid operator-diffusion framework

We present a hybrid machine learning framework that combines physics-informed neural operators (PINOs) with score-based generative diffusion models to simulate the full spatio-temporal evolution of two-dimensional, incompressible, resistive magnetohydrodynamic turbulence across a broad range of Reynolds numbers (Re). The framework leverages the equation-constrained generalization capabilities of PINOs to predict coherent, low-frequency dynamics, while a conditional diffusion model stochastically corrects high-frequency residuals, enabling accurate modeling of fully developed turbulence. Trained on a comprehensive ensemble of high-fidelity simulations with Re ϵ {100, 250, 500, 750, 1000, 3000, 10000}, the approach achieves state-of-the-art accuracy in regimes previously inaccessible to deterministic surrogates. At Re = 1000 and 3000, the model faithfully reconstructs the full spectral energy distributions of both velocity and magnetic fields late into the simulation, capturing non-Gaussian statistics, intermittent structures, and cross-field correlations with high fidelity. At extreme turbulence levels (Re = 10 000), it remains the first surrogate capable of recovering the high-wavenumber evolution of the magnetic field, preserving large-scale morphology and enabling statistically meaningful predictions.

Diffusion-Integrated Neural Operators↗
NASA NTRS1993

NASA/DoD Aerospace Knowledge Diffusion Research Project. XXVI - The relationship between technology policy and scientific and technical information within the U.S. and Japanese aerospace industries

Government technology policy has nurtured the growth of the aerospace industry, which is vital to both the U.S. and Japanese economies. Japanese technology policy differs significantly from U.S. technology policy, however, particularly with respect to the production, transfer, and use of scientific and technical information (STI). In this paper, we discuss the unique position of the aerospace industry in the U.S. and Japan, U.S. and Japanese aerospace policy, and the role of STI in the process of aerospace innovation. The information-seeking behaviors of U.S. and Japanese aerospace engineers and scientists are compared. The authors advocate the development of innovation-adoption technology and STI policy goals for U.S. aerospace and the inclusion of an aerospace knowledge diffusion transfer system with an 'active' component for scanning and acquiring foreign aerospace technology and STI.

Pinelli, Thomas E.↗
NASA NTRS2002

Diffusion NMR methods applied to xenon gas for materials study

We report initial NMR studies of (i) xenon gas diffusion in model heterogeneous porous media and (ii) continuous flow laser-polarized xenon gas. Both areas utilize the pulsed gradient spin-echo (PGSE) techniques in the gas phase, with the aim of obtaining more sophisticated information than just translational self-diffusion coefficients--a brief overview of this area is provided in the Introduction. The heterogeneous or multiple-length scale model porous media consisted of random packs of mixed glass beads of two different sizes. We focus on observing the approach of the time-dependent gas diffusion coefficient, D(t) (an indicator of mean squared displacement), to the long-time asymptote, with the aim of understanding the long-length scale structural information that may be derived from a heterogeneous porous system. We find that D(t) of imbibed xenon gas at short diffusion times is similar for the mixed bead pack and a pack of the smaller sized beads alone, hence reflecting the pore surface area to volume ratio of the smaller bead sample. The approach of D(t) to the long-time limit follows that of a pack of the larger sized beads alone, although the limiting D(t) for the mixed bead pack is lower, reflecting the lower porosity of the sample compared to that of a pack of mono-sized glass beads. The Pade approximation is used to interpolate D(t) data between the short- and long-time limits. Initial studies of continuous flow laser-polarized xenon gas demonstrate velocity-sensitive imaging of much higher flows than can generally be obtained with liquids (20-200 mm s-1). Gas velocity imaging is, however, found to be limited to a resolution of about 1 mm s-1 owing to the high diffusivity of gases compared with liquids. We also present the first gas-phase NMR scattering, or diffusive-diffraction, data, namely flow-enhanced structural features in the echo attenuation data from laser-polarized xenon flowing through a 2 mm glass bead pack. c2002 John Wiley & Sons, Ltd.

NASA Discipline Life Sciences Technologies↗
NASA NTRS1993

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 26: The relationship between technology policy and scientific and technical information within the US and Japanese aerospace industries

Government technology policy has nurtured the growth of the aerospace industry which is vital to both the U.S. and Japanese economies. Japanese technology policy differs significantly from U.S. technology policy, however, particularly with respect to the production, transfer, and use of scientific and technical information (STI). In this paper, we discuss the unique position of the aerospace industry in the U.S. and Japan, U.S. and Japanese aerospace policy, and the role of STI in the process of aerospace innovation. The information-seeking behaviors of U.S. and Japanese aerospace engineers and scientists are compared. The authors advocate the development of innovation-adoption technology and STI policy goals for U.S. aerospace and the inclusion of an aerospace knowledge diffusion transfer system with an 'active' component for scanning and acquiring foreign aerospace technology and STI.

Pinelli, Thomas E.↗
DOE OSTI2024

Mechanochemical topological defects in an active nematic

We propose a reaction-diffusion system that converts topological information of an active nematic into chemical signals. We show that a curvature-activated reaction dipole is sufficient for creating a system that dynamically senses topology by producing a concentration field possessing local extrema coinciding with ±$\frac{1}{2}$ defects. The enabling term is analogous to polarization charge density seen in dielectric materials. We demonstrate the ability of this system to identify defects in both passive and active nematics. Our results illustrate that a relatively simple feedback scheme, expressed as a system of partial differential equations, is capable of producing chemical signals in response to inherently nonlocal structures in anisotropic media. Here, we posit that such coarse-grained systems can help generate testable hypotheses for regulated processes in biological systems, such as morphogenesis, and motivate the creation of bio-inspired materials that utilize dynamic coupling between nematic structure and biochemistry.

42 ENGINEERING↗
NASA NTRS1975

Application of the MOS-C-V technique to determine impurity concentrations and surface parameters on the diffused face of silicon solar cells

The feasibility of using the MOS C-V technique to obtain information regarding impurity and surface state concentrations on the diffused face of silicon solar cells with Ta2O5 coatings is studied. Results indicate that the MOS C-V technique yields useful information concerning surface parameters which contribute to the high, efficiency limiting, surface recombination velocities on the n+ surface of silicon solar cells.

Weinberg, I.↗
DOE OSTI2026

Effect of Solvent on the Local Structure, Dynamics, and Vibrational Density of States in Sn-BEA Zeolite

Lewis acid zeolites are attractive catalysts for epoxidation and biomass valorization, as they are highly active and selective in the liquid phase and can operate at or near ambient conditions. While a rich experimental literature exists on liquid-phase Lewis acid zeolite catalysis, our understanding of the molecular organization and solvent dynamics in the vicinity of Lewis acid sites with differing metal site speciation remains limited. In this work, we investigate the molecular coordination and diffusion of two common solvents (methanol and water) around the closed and open Sn-BEA zeolite active sites using molecular dynamics simulations with a machine-learned interatomic potential trained on ab initio molecular dynamics trajectories. Molecular dynamics simulations reveal that introducing active sites significantly enhances local order in the first and second solvation shells compared to the pure silica case. For methanol, both closed and open active sites are singly coordinated, while more than two water molecules coordinate the open site. In contrast to methanol, we observed that water molecules dissociate, leading to the formation of additional Sn-OH and silanol groups away from the active site. The diffusion coefficients of water and methanol are functions of the solvent population in the pore. Here, our work provides insights into how active site speciation in Lewis acid zeolites affects solvent coordination, diffusion, and vibrational signature. This information is foundational for catalyst design and optimization of liquid-phase catalytic processes in zeolites. It also demonstrates the suitability of machine-learned interatomic potentials for modeling reactive systems, enabling sufficiently long trajectories for appropriate statistical averaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Mechanistic Multiscale Uncertainty Propagation in Support of Accelerated Fuel Qualification

Taking a nuclear fuel concept through the research, development, and qualification stages has historically taken on the order of 20 to 25 years because of extensive irradiation tests required for a variety of conditions. The concept of accelerated fuel qualification (AFQ) has been proposed to increase the innovation pace for nuclear fuels. The goal of AFQ is not to replace the traditional qualification approach but rather to reduce the total number of experiments required to ensure approval from the regulatory authority. Of the many AFQ approaches being explored, advanced modeling—and, in particular, mechanistic modeling—is in a uniquely cross-cutting position to reduce the number of required integral tests through the inclusion of separate-effects testing, while helping to extrapolate reactor performance during rare events. We make the case that propagation of uncertainty through various computational length scales helps contextualize mechanistic modeling. We will utilize UO 2 fission gas diffusion predictions from the atomistically informed cluster dynamics code Centipede to inform fuel performance rodlet simulations using the BISON finite element code as the metric for showing how multiscale mechanistic uncertainty quantification can help reduce uncertainty in fuel performance. In conclusion, by quantifying uncertainty and its reduction through multiscale modeling, the qualification process may be accelerated through the reduction of costly irradiation experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Developing the Science Basis for Understanding Polymer Encapsulant Degradation Mechanisms: DuraMAT 2.0 Final Project Report

Polymeric encapsulants are essential materials in photovoltaic modules, protecting sensitive electronics from the environment while providing mechanical integrity to the multilayered assembly. However, these polymeric materials are susceptible to degradation processes driven by the ingress of environmental species, ultraviolet radiation, thermal stresses, and mechanical loading. In this study, we employ a combined atomistic simulation and accelerated aging experimental approach to study the molecular-scale mechanisms of encapsulant degradation. Classical molecular dynamics simulations quantify the diffusion of environmental and degradation species through the polymer matrix, producing composition-specific diffusion coefficients. Reactive simulations characterize activation energy barriers and reaction rate constants for key chemical pathways. In parallel, thermal-desorption analyses coupled with mass spectrometry monitor the emergence and concentration profiles of degradation products under controlled stressor conditions. By integrating simulation and experiment, we establish quantitative correlations between polymer composition, species diffusivity, and chemical reactivity. We anticipate that these relations and quantitative values could serve as high-fidelity inputs to reaction-diffusion models, enabling physics-informed lifetime predictions and guiding the design of more durable encapsulant materials for solar energy applications.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Hydrogen adsorption and diffusion, and subcritical-crack growth in high-strength steels and nickel base alloys

Coordinated studies of the kinetics of crack growth and of hydrogen adsorption and diffusion were initiated to develop information that is needed for a clearer determination of the rate controlling process and possible mechanism for hydrogen enhanced crack growth, and for estimating behavior over a range of temperatures and pressures. Inconel 718 alloy and 18Ni(200) maraging steel were selected for these studies. 18Ni(250) maraging steel, 316 stainless steel, and iron single crystal of (111) orientation were also included in the chemistry studies. Crack growth data on 18Ni(250) maraging steel from another program are included for comparison. No sustained-load crack growth was observed for the Inconel 718 alloy in gaseous hydrogen. Gaseous hydrogen assisted crack growth in the 18Ni maraging steels were characterized by K-independent (Stage 2) extension over a wide range of hydrogen pressures (86 to 2000 torr or 12 kN/m2 to 266 kN/m2) and test temperatures (-60 C to +100 C). The higher strength 18Ni(250) maraging steel was more susceptible than the lower strength 200 grade. A transition temperature was observed, above which crack growth rates became diminishingly small.

Wei, R. P.↗
NASA NTRS1975

Measurements of large scale turbulence in the solar system

Direct observations of the solar wind between 1965 and 1972 indicate the existence of significant large scale (L is greater than 10 to the 6th km) turbulence in the solar system at heliocentric distances from 1 to 3 AU. These results are based on power spectra of the solar wind proton data obtained by plasma spectrometers on Pioneer 6 and Pioneer 10. The power spectra indicate that there is a power-law frequency dependence between 10 to the -4 Hz and 10 to the -3 Hz of the power spectra of the solar wind proton number density and streaming speed between 1 and 3 AU. The slopes and the amplitudes of the power spectra provide qualitative information concerning the cosmic ray diffusion tensor between 1965 and 1972 and at heliocentric distances between 1 AU and 3 AU.

Intriligator, D. S.↗
NASA NTRS1993

A radio continuum survey of edge-on spiral galaxies at 90 cm

Accurate spectral indices of the radio emission from both the thin disk and thick disk or halo components are critical to understanding the propagation mechanisms of electrons within spiral galaxies. The spectral indices give information of relative importance of diffusion and synchrotron energy loss in the propagation of electrons in the disk. Our goal of this survey is to locate a larger sample of spiral galaxies that exhibit halo phenomena so that a statistical analysis will be possible.

Heikkila, B.↗
NASA NTRS1999

Model system for plant cell biology: GFP imaging in living onion epidermal cells

The ability to visualize organelle localization and dynamics is very useful in studying cellular physiological events. Until recently, this has been accomplished using a variety of staining methods. However, staining can give inaccurate information due to nonspecific staining, diffusion of the stain or through toxic effects. The ability to target green fluorescent protein (GFP) to various organelles allows for specific labeling of organelles in vivo. The disadvantages of GFP thus far have been the time and money involved in developing stable transformants or maintaining cell cultures for transient expression. In this paper, we present a rapid transient expression system using onion epidermal peels. We have localized GFP to various cellular compartments (including the cell wall) to illustrate the utility of this method and to visualize dynamics of these compartments. The onion epidermis has large, living, transparent cells in a monolayer, making them ideal for visualizing GFP. This method is easy and inexpensive, and it allows for testing of new GFP fusion proteins in a living tissue to determine deleterious effects and the ability to express before stable transformants are attempted.

NASA Discipline Plant Biology↗
NASA NTRS1944

An Experimental Investigation of the Flow of Air in a Flat Broadening Channel

The wide use of diffusers, in various fields of technology, has resulted in several experimental projects to study the action and design of diffusers. Most of the projects dealt with steam (steam turbine nozzles). But diffusers have other applications - that is, ventilators, smoke ducts, air coolers, refrigeration, drying, and so forth. At present there is another application for diffusers in wind-tunnel design. Because of higher requirements and increased power of such installations more attention must be paid to the correctness of work and the decrease in losses due to every section of the tunnel. A diffuser, being one of the component parts of a tunnel , can in the event of faulty construction introduce considerable losses. Therefore, in the design of the new CAHI wind tunnel, it was suggested that an experimental study of diffusers be made, with a view to applying the results to wind tunnels. The experiments conducted by K. K. Baulin in the laboratories of CAHI upon models of diffusers of different cross sections, lengths, and angles of divergence, were a valuable source of experimental data. They were of no help, however, in reaching any conclusion regarding the optimum shape because of the complexity and diversity of the factors which all appeared simultaneously, thereby precluding the.study of the effects of any one factor separately. On the suggestion of the director of the CAHI,Prof. B. N. Ureff, it was decided to experiment on a two-dimensional diffuser model and determine the effect, of the angle of divergence. The author is acquainted with two experimental projects of like nature: the first was conducted with water, the other with air. The first of these works, although containing a wealth of experimental data, does not indicate the nature of flow or its relation to the angle of divergence. The second work is limited to four angles - that is, 12 deg, 24 deg, 45 deg, 90 deg. The study of this diffuser did not supply any information about the effect of smaller angles which, because of their advantages, are more commonly used, The author was able to acquaint himself with the second work only after the experiments were started. For these reasons, as well as because on the basis of those works no conclusion can be reached regarding the nature of flow distribution, of eddies, and so forth, experimental work was continued. The need for determining flow patterns follows from the fact that from them are determined methods of measurement - that is, the determination of velocities by means of the pitot tube, which, as is well known, gives correct indications only when placed with its axis parallel to the axis of flow. The data contained in this report were obtained from experiments conducted by the Aerodynamical Laboratories of the CAHI. The solutions to some. of the mathematical problems connected with the experiments are due to Prof. S. A, Chapligin.

Vedernikoff, A. N.↗
NASA NTRS2016

Comparison of Turbulent Thermal Diffusivity and Scalar Variance Models

This paper will include a detailed comparison of heat transfer models that rely upon the thermal diffusivity. The goals are to inform users of the development history of the various models and the resulting differences in model formulations, as well as to evaluate the models on a variety of validation cases so that users might better understand which models are more broadly applicable.

turbulence models↗
NASA NTRSDate not supplied

Apollo Sample 64455: Petrologic and Geochemical Characterization of a Glass-Coated Impact Melt Rock

Introduction and Background: Impact melts are a key product of the impact cratering process. Impact melts can turbulently entrain pre-existing rock fragments, and melt part of those entrained materials until thermal equilibrium is achieved [1–3]. Lunar impact melt rocks are valuable for determining the precise ages of basin-forming and cratering events, which anchor the cratering chronology and dynamics of the entire solar system [4, and references therein]. Additionally, entrained clasts can inform on the petrology and age of crustal materials that predate the melt-forming impact. In lithologies where no pristine samples are available, entrained materials may hold the record of endogenous lunar volatiles, provided we can untangle their impact histories as high temperature impact melt can heat the clasts and may alter their native volatiles or isotopic signatures [5–6]. Here, we characterize an Apollo 16 sample, 64455,70B, in an effort to understand the physical, microstructural, and geochemical consequences of impact melt contact metamorphism. We acquired optical light and x-ray maps of the sample, as well as quantitative analyses via electron probe microanalysis (EPMA). These tasks allow us to better understand the interaction between impact melts and entrained clasts, ultimately closing knowledge gaps in high-temperature impact processing on planetary surfaces. Sample Description: Sample 64455 is an oblong crystalline rock encased in glass to form an egg-like shape [7–8]. The impact melt coating has altered the outer (1 to 2 mm) rind of the crystalline rock and has preserved schlieren. The interior crystalline rock is likely a crystalline impact melt rock based on its bulk Ir content of 2.25 parts per billion [9]. The composition of the impact melt glass rind cannot be solely derived from the crystalline interior, the glassy rind is more aluminous and less magnesian [10]. Neither the crystalline interior nor the glassy rind were radiometrically age dated, although several studies investigated its cosmogenic isotopes and exposure ages, which reveal the sample was exposed on the lunar surface for ~1–2 Ma [11–13]. Preliminary Results: The interior crystalline rock consists primarily of plagioclase with interstitial pyroxene and olivine. Plagioclase grains are zoned and compositions range from An97–89, while pyroxene compositions generally range from En68Fs19Wo13 to En82Fs15Wo3 and olivine are Fo77 to Fo85. Minor phases include Fe-Ni metal, Ca-phosphates, a K- and Si-rich phase, sulfides, and Fe-phosphides. The glass rind contains approximately 44 wt.% SiO2, 25 wt.% Al2O3, 6 wt.% FeO, 8 wt.% MgO, and 14 wt.% CaO, with other oxides at <1 wt.% each, although the composition of the glass becomes more variable closest to the crystalline rock. The rind consists of rounded plagioclase, pyroxene, and olivine crystals with interstitial melt. In some locations, the rounded crystals are surrounded by closely-packed, blade-like crystals, <5 µm in width. These results indicate that the crystalline interior has partially melted where in contact with the high-temperature impact melt and while further investigation is needed, pyroxene may have preferentially melted relative to olivine and plagioclase. Future Work: We plan to conduct electron backscatter diffraction (EBSD) mapping in order to determine crystallinity and crystal orientation. Next using transmission electron microscopy (TEM) data in conjunction with EBSD and EPMA information, we will model the diffusion of moderately volatile elements between the melt and remnant crystals.

A C Stadermann↗
NASA NTRS1988

Pb-Zn liquid metal diffusion

The Lead-Zinc binary equilibrium system is currently being investigated. Ground based studies of this system were performed to examine the possibility of obtaining a couple which, after diffusion, could be examined continuously along the diffusion axis by quantitative metallography to determine the extent of diffusion. The specimens were analyzed by X-ray fluorescence in the scanning electron microscope to provide exact information on the chemical composition gradient. Two diffusion experiments were run simultaneously in the multipurpose furnace, each in its own isothermal cavity. Two flight samples, two flight backup samples, and two flight space samples were generated.

Pond, R. B., Sr.↗
DOE OSTI2022

Extension of the PINN diffusion model to k-eigenvalue problems

This paper extends our recent work on the Physics-Informed Neural Networks (PINN) approach for the fixed source diffusion models and applies it to the diffusion theory based k-eigenvalue problems. To make the PINN equitable for the eigenvalue problems, we introduce a novel integral regularization term to the loss function in the framework, and allow the direct inference of the principal eigenvalue and the associated eigenfunction. The regularization term enforces a pre-defined value on the integration of the model predictions, and this value can be directly related to a physical property of the system. We also introduce an additional learnable parameter to approximate the principal eigenvalue. As a proof of principle, we solve the one-group two-dimensional k-eigenvalue neutron diffusion equation in this work. We then provide two numerical examples to demonstrate the applicability of the PINN approach. In each example, we solve the k-eigenvalue diffusion equation in a multi-region configuration constrained with a set of Robin boundary conditions for generality. We use a FEM solution based on the power-iteration method to verify the results of the PINN solution. The results showed relative percentage error in the predicted eigenvalue of about 0.77% and about 1.2% for example 1 and example 2, respectively. The mean absolute error in the predicted flux for example 1 is ∼ 0.002 and for example 2 is ∼ 0.0024. These results indicate some preliminary successes of the PINN application to k-eigenvalue problems. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗