Results for “diffusion maps” — Page 31

DOE OSTI2025

Fracture Network Quantification during CO2 Injection

This is the presentation prepared for the ARMA 2025 (59th US Rock Mechanics/Geomechanics Symposium) Conference held in Santa Fe, New Mexico, June 8-11, 2025. Accurate mapping and quantification of these networks are essential to ensure the integrity of CO2 storage reservoirs, understand and reduce potential leakage, and maintain long-term environmental safety. This study presents a novel machine learning-driven approach, integrated with geomechanical analysis, to quantify fracture networks and assess their spatial distribution during CO2 injection. This paper combines microseismic monitoring data with principles of hydraulic diffusivity and geomechanical analysis to characterize reservoir scale fracture network. The novelty of our approach lies in its capacity to assimilate time-dependent pressure data and microseismicity into a cohesive framework, which not only identifies microseismic triggering fronts but also tracks fracture distribution during active injection. Besides, leveraging image log data and analysis our approach also provides another angle of the insights to solidate the fracture networks understanding and geomechanical impacts. Key results from our study include the detection of over 100 distinct fracture clusters across the injection site, with fracture orientations strongly correlated with the prevailing in-situ stress field.

CO2 storage and sequestration↗

NASA NTRS2018

Organic Ices in Titan's Stratosphere

Titan’s stratospheric ice clouds are by far the most complex of any observed in the solar system, with over a dozen organic vapors condensing out to form a suite of pure and co-condensed ices, typically observed at high winter polar latitudes. Once these stratospheric ices are formed, they will diffuse throughout Titan’s lower atmosphere and most will eventually precipitate to the surface, where they are expected to contribute to Titan’s regolith. Early and important contributions were first made by the InfraRed Interferometer Spectrometer (IRIS) on Voyager 1, followed by notable contributions from IRIS’ successor, the Cassini Composite InfraRed Spectrometer (CIRS), and to a lesser extent, from Cassini’s Visible and Infrared Mapping Spectrometer (VIMS) and the Imaging Science Subsystem (ISS) instruments. All three remote sensing instruments made new ice cloud discoveries, combined with monitoring the seasonal behaviors and time evolution throughout Cassini’s 13-year mission tenure. A significant advance by CIRS was the realization that co-condensing chemical compounds can account for many of the CIRS-observed stratospheric ice cloud spectral features, especially for some that were previously puzzling, even though some of the observed spectral features are still not well understood. Relevant laboratory transmission spectroscopy efforts began just after the Voyager encounters, and have accelerated in the last few years due to new experimental efforts aimed at simulating co-condensed ices in Titan’s stratosphere. This review details the current state of knowledge regarding the organic ice clouds in Titan’s stratosphere, with perspectives from both observational and experimental standpoints.

Astronomy↗

NASA NTRS2018

Organic Ices in Titan's Stratosphere

Titan’s stratospheric ice clouds are by far the most complex of any observed in the solar system, with over a dozen organic vapors condensing out to form a suite of pure and co-condensed ices, typically observed at high winter polar latitudes. Once these stratospheric ices are formed, they will diffuse throughout Titan’s lower atmosphere and most will eventually precipitate to the surface, where they are expected to contribute to Titan’s regolith. Early and important contributions were first made by the InfraRed Interferometer Spectrometer (IRIS) on Voyager 1, followed by notable contributions from IRIS’ successor, the Cassini Composite InfraRed Spectrometer (CIRS), and to a lesser extent, from Cassini’s Visible and Infrared Mapping Spectrometer (VIMS) and the Imaging Science Subsystem (ISS) instruments. All three remote sensing instruments made new ice cloud discoveries, combined with monitoring the seasonal behaviors and time evolution throughout Cassini’s 13-year mission tenure. A significant advance by CIRS was the realization that co-condensing chemical compounds can account for many of the CIRS-observed stratospheric ice cloud spectral features, especially for some that were previously puzzling, even though some of the observed spectral features are still not well understood. Relevant laboratory transmission spectroscopy efforts began just after the Voyager encounters, and have accelerated in the last few years due to new experimental efforts aimed at simulating co-condensed ices in Titan’s stratosphere. This review details the current state of knowledge regarding the organic ice clouds in Titan’s stratosphere, with perspectives from both observational and experimental standpoints.

C. M. Anderson↗

NASA NTRS2018

Organic Ices in Titan’s Stratosphere

Titan’s stratospheric ice clouds are by far the most complex of any observed in the solar system, with over a dozen organic vapors condensing out to form a suite of pure and co-condensed ices, typically observed at high winter polar latitudes. Once these stratospheric ices are formed, they will diffuse throughout Titan’s lower atmosphere and most will eventually precipitate to the surface, where they are expected to contribute to Titan’s regolith. Early and important contributions were first made by the InfraRed Interferometer Spectrometer (IRIS) on Voyager 1, followed by notable contributions from IRIS’ successor, the Cassini Composite InfraRed Spectrometer (CIRS), and to a lesser extent, from Cassini’s Visible and Infrared Mapping Spectrometer (VIMS) and the Imaging Science Subsystem (ISS) instruments. All three remote sensing instruments made new ice cloud discoveries, combined with monitoring the seasonal behaviors and time evolution throughout Cassini’s 13-year mission tenure. A significant advance by CIRS was the realization that co-condensing chemical compounds can account for many of the CIRS-observed stratospheric ice cloud spectral features, especially for some that were previously puzzling, even though some of the observed spectral features are still not well understood. Relevant laboratory transmission spectroscopy efforts began just after the Voyager encounters, and have accelerated in the last few years due to new experimental efforts aimed at simulating co-condensed ices in Titan’s stratosphere. This review details the current state of knowledge regarding the organic ice clouds in Titan’s stratosphere, with perspectives from both an observational and experimental standpoint.

Ices↗

DOE OSTI2025

Fracture Network Quantification during CO2 Injection

This is the conference paper accompanying an oral presentation at the ARMA 2025 (59th US Rock Mechanics/Geomechanics Symposium) Conference held in Santa Fe, New Mexico, June 8-11, 2025. Accurate mapping and quantification of these networks are essential to ensure the integrity of CO2 storage reservoirs, understand and reduce potential leakage, and maintain long-term environmental safety. This study presents a novel machine learning-driven approach, integrated with geomechanical analysis, to quantify fracture networks and assess their spatial distribution during CO2 injection. This paper combines microseismic monitoring data with principles of hydraulic diffusivity and geomechanical analysis to characterize reservoir scale fracture network. The novelty of our approach lies in its capacity to assimilate time-dependent pressure data and microseismicity into a cohesive framework, which not only identifies microseismic triggering fronts but also tracks fracture distribution during active injection. Besides, leveraging image log data and analysis our approach also provides another angle of the insights to solidate the fracture networks understanding and geomechanical impacts. Key results from our study include the detection of over 100 distinct fracture clusters across the injection site, with fracture orientations strongly correlated with the prevailing in-situ stress field.

CO2 storage and sequestration↗

DOE OSTI2026

Data‐Efficient Generation of Synthetic Microstructures of Polymer‐Bonded Energetic Material With Fine‐Tuned Stable Diffusion

Among current deep learning approaches for synthetic image generation, diffusion-based models stand out in terms of algorithmic stability and ability to retain high-fidelity image features with detailed resolution. Here, in this work, we employ Dreambooth, a method for fine-tuning Stable Diffusion, on X-ray CT images of microstructure of the polymer-bonded form (PBX) of a commonly used high explosive, Pentaerythritol tetranitrate (PETN), which yields generative models for creating synthetic PBX images. The models developed here represent five classes (or ‘lots’) of microstructures and demonstrate successful generation of images of each class with high fidelity, as verified by computed classification accuracy of ∼ 94% or higher. Data augmentation afforded by such image synthesis can be used to more reliably decipher underlying statistics, build processing-structure correlations, recognize off-normal structural anomalies, and identify age-related changes. Ideas related to converting image data into appropriate density mapping and performing mesoscale simulation or surrogate modeling of detonation are also discussed.

Dreambooth↗

DOE OSTI2023

High-resolution imaging of Hg/Se aggregates in the brain of small Indian mongoose, a wild terrestrial species: insights into intracellular Hg detoxification

Human activities result in the emission of 2000 metric tons of mercury compounds annually. Mercury (Hg) biomagnification has been characterized in marine mammals and predatory fish; however, little is known about mercury accumulation in brains of wild terrestrial species. Elevated Hg content, of 1.27 μg/g wet wt.—found in the brain of wild small Indian mongoose, prompted us to use synchrotron X-ray fluorescence imaging for simultaneous, quantitative mapping of biologically relevant and neurotoxic elements with high spatial resolution. X-ray fluorescence combined with immunohistochemistry revealed ~0.5–1.9 micron Hg-rich aggregates in cells of the choroid plexus and astrocytes of the subventricular wall in the mongoose brain. Hg content within aggregates correlated with selenium. Hg aggregates did not co-localize with lysosomes. The low Hg density inside aggregates indicated diffuse Hg binding to a Se-containing biomolecule, rather than much denser HgSe nanoparticles proposed to form in other species. Our data show the susceptibility of the small Indian mongoose population to Hg pollution and highlight the vulnerability of the brain as an organ targeted by mercury. Data also provide evidence on the adaptation in the form of a Se-based detoxification mechanism sequestering Hg into intracellular aggregates.

36 MATERIALS SCIENCE↗

DOE OSTI2021

The nanoscale distribution of copper and its influence on charge collection in CdTe solar cells

For decades, Cu has been the primary dopant in CdTe photovoltaic absorbers. Typically, Cu acceptor concentrations in these devices are on the order of 1 1014 cm-3, which has made it notoriously difficult to directly correlate nanoscale Cu distributions to the local charge transport properties of these devices. To measure and correlate these properties, measurement techniques require high sensitivity to elemental concentration, large penetration depth, and operando compatibility. Techniques such as secondary-ion mass spectroscopy and X-ray energy dispersive spectroscopy are widely adopted to measure Cu concentrations, but they are limited by penetration depth, sensitivity, or spatial resolution. Additionally, they lack the operando capabilities required to correlate one-to-one Cu concentrations to electrical performance. In this work, correlative X-ray microscopy is used to investigate the spatial distribution of Cu and its impact on charge collection through the depth and breadth of CdTe photovoltaic devices. Plan-view, nanoscale X-ray fluorescence maps clearly demonstrate the spatial segregation of copper around regions thought to be CdTe grain boundaries. Complementary cross-section imaging unveils the transition of the maximum charge-collection efficiency from the ZnTe-CdTe interface to the CdS-CdTe interface as a function of Cu incorporation. The copper concentration through the depth of the CdTe layer is characterized by slow and fast diffusion components, and cross-section charge-transport modeling shows that the experimentally obtained charge collection can be explained by the modeled acceptor distribution through the depth of the CdTe layer.

14 SOLAR ENERGY↗

DOE OSTI2022

Observability of fidelity decay at the Lyapunov rate in few-qubit quantum simulations

In certain regimes, the fidelity of quantum states will decay at a rate set by the classical Lyapunov exponent. This serves both as one of the most important examples of the quantum-classical correspondence principle and as an accurate test for the presence of chaos. While detecting this phenomenon is one of the first useful calculations that noisy quantum computers without error correction can perform, a thorough study of the quantum sawtooth map reveals that observing the Lyapunov regime is just beyond the reach of present-day devices. We prove that there are three bounds on the ability of any device to observe the Lyapunov regime and give the first quantitatively accurate description of these bounds: (1) the Fermi golden rule decay rate must be larger than the Lyapunov rate, (2) the quantum dynamics must be diffusive rather than localized, and (3) the initial decay rate must be slow enough for Lyapunov decay to be observable. This last bound, which has not been recognized previously, places a limit on the maximum amount of noise that can be tolerated. The theory implies that an absolute minimum of 6 qubits is required. Recent experiments on IBM-Q and IonQ imply that some combination of a noise reduction by up to 100x per gate and large increases in connectivity and gate parallelization are also necessary. Finally, scaling arguments are given that quantify the ability of future devices to observe the Lyapunov regime based on trade-offs between hardware architecture and performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

Numerical simulation of channel flow transition, resolution requirements and structure of the hairpin vortex

Three-dimensional, nonlinear numerical simulations are presented for the K-type and H-type transitions for channel flow. There are two objectives. The first is to establish firmly the resolution requirements for the various stages in the transition process. Comparisons between calculations on various grids suggest a set of guidelines for maintaining a physically meaningful calculation. The second objective is to map out the structure of the hairpin vortices which arise in K-type and H-type transitions in channel flow, to the latest stage currently feasible. Flow field details are presented for both a subcritical Reynolds number of 1500 and a supercritical Reynolds number of 8000. The diagnostics include illustrations of the vertical shear, streamwise and spanwise vorticity, helicity, vortex stretching, and vortex diffusion fields.

Krist, Steven E.↗

NASA NTRS1987

Determination of surface shear stress with the naphthalene sublimation technique

Aeolian entrainment and transport are functions of surface shear stress and particle characteristics. Measuring surface shear stress is difficult, however, where logarithmic wind profiles are not found, such as regions around large roughness elements. An outline of a method whereby shear stress can be mapped on the surface around an object is presented. The technique involves the sublimation of naphthalene (C10H8) which is a function of surface shear stress and surface temperature. This technique is based on the assumption that the transfer of momentum, heat and mass are analogous (Reynolds analogy). If the Reynolds analogy can be shown to be correct for a given situation, then knowledge of the diffusion of one property allows the determination of the others. The analytical framework and data acquisition for the method are described. The technique was tested in the Planetary Geology Wind Tunnel. Results show that the naphthalene sublimation technique is a reasonably accurate method for determining shear stress, particularly around objects where numerous point values are needed.

Lee, J. A.↗

NASA NTRS1999

Quantitative Species Measurements in Microgravity Combustion Flames using Near-Infrared Diode Lasers

Understanding the physical phenomena controlling the ignition and spread of flames in microgravity has importance for space safety as well as for characterizing dynamical and chemical combustion processes which are normally masked by buoyancy and other gravity-related effects. Unfortunately, combustion is highly complicated by fluid mechanical and chemical kinetic processes, requiring the use of numerical modeling to compare with carefully designed experiments. More sophisticated diagnostic methods are needed to provide the kind of quantitative data necessary to characterize the properties of microgravity combustion as well as provide accurate feedback to improve the predictive capabilities of the models. Diode lasers are a natural choice for use under the severe conditions of low gravity experiments. Reliable, simple solid state operation at low power satisfies the operational restrictions imposed by drop towers, aircraft and space-based studies. Modulation wavelength absorption spectroscopy (WMS) provides a means to make highly sensitive and quantitative measurements of local gas concentration and, in certain cases, temperature. With near-infrared diode lasers, detection of virtually all major combustion species with extremely rapid response time is possible in an inexpensive package. Advancements in near-infrared diode laser fabrication technology and concurrent development of optical fibers for these lasers led to their use in drop towers. Since near-infrared absorption line strengths for overtone and combination vibrational transitions are weaker than the mid-infrared fundamental bands, WMS techniques are applied to increase detection sensitivity and allow measurement of the major combustion gases. In the first microgravity species measurement, Silver et al. mounted a fiber-coupled laser at the top of the NASA 2.2-sec drop tower and piped the light through a single-mode fiber to the drop rig. A fiber splitter divided the light into eight channels that directed the laser beam across a methane or propane diffusion jet flame. The light beams were recaptured by a set of gradient index lenses, coupled back into separate fiber optic lines, and transmitted back to detectors and electronics in the instrument package. In these experiments a 6-mm od fiber cable (containing the nine optical fibers) fell with the drop rig. Using separate detection and demodulation channels, spatial and temporal (up to 20 Hz) maps of water vapor and methane concentrations were obtained at differing heights in the flames. While this apparatus was useful from a demonstration standpoint, several drawbacks needed attention before useful scientific measurements could be obtained. First, eight lines of sight are somewhat insufficient for detailing the spatial profiles of the gas. Second, multiple detection channels operating in parallel are both expensive and present a challenge for accurate calibration. As a result, a newer scanning system was developed in our first contract under this program. The primary characteristic of this system is that it contains a single detection channel and achieves "continuous" spatial resolution by scanning the laser beam across the flame region, then directing this beam onto a single detector. Thus spatial measurements are converted to a temporal series of data. The true spatial resolution is limited only by the beam diameter and width of the sweep. In these experiments the beam is focused to about 1-mm diameter and scans across a region up to 4-cm wide.

Silver, Joel A.↗

NASA NTRS2008

In-Field Diffuse Ultraviolet Spectroscopy and Imaging of the Stardust Sample Return Capsule

In-field diffuse Ultraviolet (UV) spectroscopy and imaging systems were developed for the purposes of evaluating the surface chemical composition of spacecraft thermal control coatings and materials. The investigation of these systems and the compilation of an associated UV reflectance and luminescence database were conducted using the Stardust Sample Return Capsule (SRC), located at the Johnson Space Center. Spectral responses of the surfaces of the Stardust forebody and aftbody in both reflectance and fluorescence modes were examined post-flight. In this paper, we report on two primary findings of in-field diffuse UV spectroscopy and imaging: (1) deduction of the thermal history of thermal control coatings of the forebody and (2) bond line variations in the aftbody. In the forebody, the thermal history of thermal control coatings may be deduced from the presence of particular semiconducting defect states associated with ZnO, a common emissivity constituent in thermal control coatings. A spatial dependence of this history was mapped for these regions. In the aftbody, luminescing defect states, associated with Si and SiO2 color centers were found along regions of bond variability.

Pugel, D. Elizabeth↗

DOE OSTI2022

Simulation of runaway electron production with CQL3D coupled to NIMROD

Abstract A coupling between two distinctly different codes—one magnetohydrodynamic (MHD) and another kinetic—is achieved and applied for simulation of runaway electron (RE) production. The 3D initial value MHD code NIMROD simulates a DIII-D pure neon shattered pellet injection plasma quench including the propagation and ablation of the fragments, ionization and recombination of the impurities, and the radiated and transported energies. The field data from NIMROD is then used by the bounce-averaged Fokker–Planck Collisional QuasiLinear 3D (CQL3D) kinetic code to simulate the production of REs and their radial transport. The coupling procedure involves mapping of data between different grids and adjustment of the NIMROD toroidal electric field when REs appear. It is shown that without the radial transport, a large RE current is generated, up to 30% of the pre-pellet ohmic current. However, when the radial transport is included in CQL3D, the RE current is reduced to undetectable level, consistent with experiment. Various forms of the radial diffusion are surveyed to determine conditions when the fast electrons would not have time to be accelerated to relativistic energies before they are lost to chamber wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1974

Analysis of impingement heat transfer for two parallel liquid-metal slot jets

An analytical method is developed for determining heat transfer by impinging liquid-metal slot jets. The method involves mapping the jet flow region, which is bounded by free streamlines, into a potential plane where it becomes a uniform flow in a channel of constant width. The energy equation is transformed into potential plane coordinates and is solved in the channel flow region. Conformal mapping is then used to transform the solution back into the physical plane and obtain the desired heat-transfer characteristics. The analysis given here determines the heat-transfer characteristics for two parallel liquid-metal slot jets impinging normally against a uniformly heated flat plate. The liquid-metal assumptions are made that the jets are inviscid and that molecular conduction is dominating heat diffusion. Wall temperature distributions along the heated plate are obtained as a function of spacing between the jets and the jet Peclet number.

Siegel, R.↗

DOE OSTI2021

Single-defect phonons imaged by electron microscopy

Crystal defects affect the thermal and heat-transport properties of materials by scattering phonons and modifying phonon spectra. To appreciate how imperfections in solids influence thermal conductivity and diffusivity, it is thus essential to understand phonon–defect interactions. Sophisticated theories are available to explore such interactions, but experimental validation is limited because most phonon-detecting spectroscopic methods do not reach the high spatial resolution needed to resolve local vibrational spectra near individual defects. In this paper, we demonstrate that space- and angle-resolved vibrational spectroscopy in a transmission electron microscope makes it possible to map the vibrational spectra of individual crystal defects. We detect a red shift of several millielectronvolts in the energy of acoustic vibration modes near a single stacking fault in cubic silicon carbide, together with substantial changes in their intensity, and find that these changes are confined to within a few nanometres of the stacking fault. These observations illustrate that the capabilities of a state-of-the-art transmission electron microscope open the door to the direct mapping of phonon propagation around defects, which is expected to provide useful guidance for engineering the thermal properties of materials.

42 ENGINEERING↗

NASA NTRS1991

A new self-calibration method applied to TOMS and SBUV backscattered ultraviolet data to determine long-term global ozone change

The currently archived (1989) total ozone mapping spectrometer (TOMS) and solar backscattered ultraviolet (SBUV) total ozone data (version 5) show a global average decrease of about 9.0 percent from November 1978 to November 1988. This large decrease disagrees with an approximate 3.5-percent decrease estimated from the ground-based Dobson network. The primary source of disagreement was found to arise from an overestimate of reflectivity change and its incorrect wavelengths dependence for the diffuse plate used when measuring solar irradiance. Both of these factors have led to an overestimate of the rate of atmospheric ozone depletion by SBUV and TOMS. For total ozone measured by TOMS, a means has been found to use the measured radiance-irradiance ratio from several wavelengths pairs to construct an internally self-consistent calibration. The method uses the wavelength dependence of the sensitivity to calibration errors and the requirement that albedo ratios for each wavelength pair yield the same total ozone amounts. Smaller errors in determining spacecraft attitude, synchronization problems with the photon counting electronics, and sea-glint contamination of boundary reflectivity data have been corrected or minimized. New climatological low-ozone profiles have been incorporated into the TOMS algorithm that are appropriate for Antarctic ozone hole conditions and other low ozone cases. The combined corrections have led to a new determination of the global average total ozone trend (version 6) as a 2.9 + or - 1.3 percent decrease over 11 years (October 1978 to November 1989).

Herman, J. R.↗

NASA NTRS2003

Convective Lofting Links Indian Ocean Air Pollution to Paradoxical South Atlantic Ozone Maxima

We describe a broad resolution of the "Atlantic Paradox" concerning the seasonal and geographic distribution of tropical tropospheric ozone. We describe periods of significant maximum tropospheric O3 for Jan.-April, 1999, exploiting satellite estimates and SHADOZ (Southern Hemisphere Additional Ozonesondes). Trajectory analyses connecting sondes and Total Tropospheric Ozone (TTO)O3 maps suggest a complex influence from the Indian Ocean: beginning with mixed combustion sources, then low level transport, cumulonimbus venting, and finally high-level transport to the west, with possible mixing over Africa. For the Jan.- March highest column-O3 periods in the Atlantic, distinct sounding peaks trace to specific NO sources, especially lightning, while in the same episodes, recurring every 30 or 60 days, more diffuse buildups of Indian-to-Atlantic pollution make important contributions.

Chatfield, Robert B.↗