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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

The NASA CloudSat/GPM Light Precipitation Validation Experiment (LPVEx)

Ground-based measurements of cool-season precipitation at mid and high latitudes (e.g., above 45 deg N/S) suggest that a significant fraction of the total precipitation volume falls in the form of light rain, i.e., at rates less than or equal to a few mm/h. These cool-season light rainfall events often originate in situations of a low-altitude (e.g., lower than 2 km) melting level and pose a significant challenge to the fidelity of all satellite-based precipitation measurements, especially those relying on the use of multifrequency passive microwave (PMW) radiometers. As a result, significant disagreements exist between satellite estimates of rainfall accumulation poleward of 45 deg. Ongoing efforts to develop, improve, and ultimately evaluate physically-based algorithms designed to detect and accurately quantify high latitude rainfall, however, suffer from a general lack of detailed, observationally-based ground validation datasets. These datasets serve as a physically consistent framework from which to test and refine algorithm assumptions, and as a means to build the library of algorithm retrieval databases in higher latitude cold-season light precipitation regimes. These databases are especially relevant to NASA's CloudSat and Global Precipitation Measurement (GPM) ground validation programs that are collecting high-latitude precipitation measurements in meteorological systems associated with frequent coolseason light precipitation events. In an effort to improve the inventory of cool-season high-latitude light precipitation databases and advance the physical process assumptions made in satellite-based precipitation retrieval algorithm development, the CloudSat and GPM mission ground validation programs collaborated with the Finnish Meteorological Institute (FMI), the University of Helsinki (UH), and Environment Canada (EC) to conduct the Light Precipitation Validation Experiment (LPVEx). The LPVEx field campaign was designed to make detailed measurements of cool-season light precipitation by leveraging existing infrastructure in the Helsinki Precipitation Testbed. LPVEx was conducted during the months of September--October, 2010 and featured coordinated ground and airborne remote sensing components designed to observe and quantify the precipitation physics associated with light rain in low-altitude melting layer environments over the Gulf of Finland and neighboring land mass surrounding Helsinki, Finland.

Petersen, Walter A.↗
NASA NTRS2019

Turning Satellite Data into Global Precipitation Maps

It's really obvious how to measure rain and snowfall just put a container out in the yard. But, it turns out the physical processes that create precipitation, and the practicalities of taking measurements everywhere, make satellites key tools in mapping rain and snowfall around the globe. Employing satellites in this meteorological detective story involves some science, some technology, a lot of computing, and, yes, rocket science. The payoff is that we know more about how much rain and snow fell in, say, 2010, than we knew at the time that it fell, and we're ready to make the same kind of estimate for tomorrow's storms. There is still a lot of work to be done to make these estimates more reliable and accurate.Dr. George J. Huffman is a Research Meteorologist at NASA Goddard Space Flight Center (GSFC), Greenbelt, Maryland. After completing a B.S. in Physics at The Ohio State University (1976) and a Ph.D. in Meteorology at Massachusetts Institute of Technology (1982), he was an Assistant Professor at University of Maryland, College Park before moving to GSFC in 1988, where he consulted for 24 years before joining NASA in 2012. Dr. Huffman focuses on the design, implementation, and extension of combined estimates of global precipitation, seeking to incorporate all available precipitation-relevant satellite and global surface data. He is the Deputy Project Scientist for the Global Precipitation Measurement (GPM) mission, the Chair of the GPM Multi-satellite Algorithm Working Group, and Chief of the Mesoscale Atmospheric Processes Lab.

Huffman, George J.↗
DOE OSTI2024

Vapor kinetic energy for the detection and understanding of atmospheric rivers

Poleward water vapor transport in the midlatitudes mainly occurs in meandering filaments of intense water vapor transport, spanning thousands of kilometers long and hundreds of kilometers wide and moving eastward. The water vapor filaments are known as atmospheric rivers (ARs). They can cause extreme wind gusts, intense precipitation, and flooding along densely populated coastal regions. Many recent studies about ARs focused on the statistical analyses of ARs, but a process-level understanding of ARs remains elusive. Here we show that ARs are streams of air with enhanced vapor kinetic energy (VKE) and derive a governing equation for Integrated VKE to understand what contributes to the evolution of ARs. We find that ARs grow mainly because of potential energy conversion to kinetic energy, decay largely owing to condensation and turbulence, and the eastward movement is primarily due to horizontal advection of VKE. Our VKE framework complements the integrated vapor transport framework, which is popular for identifying ARs but lacks a prognostic equation for understanding the physical processes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Using Machine Learning to Estimate Surface-Level SO2 Concentrations from Satellite-Based Measurements

Sulfur dioxide (SO2) is a criteria air pollutant due to its contributions to aerosol formation, rainfall acidification, and harm to human health. The placement of air quality monitoring sites is typically biased towards urban areas, leaving large areas with very limited monitoring data. The Ozone Monitoring Instrument (OMI) has been used to provide estimates of SO2 vertical column densities (VCDs) globally at spatial resolution of 10s of kms once per day. OMI SO2 VCDs have been previously used to estimate surface SO2 concentrations using chemical transport model (CTM) simulations. The CTMs use estimated emissions and assimilated meteorological data, and simulate the chemical and physical processes that determine the vertical profile of SO2, which can be used to derive a ratio between the surface concentrations and VCDs. These models are complex, computationally expensive, and have large uncertainties in the simulated surface-to-VCD ratio due to biases in emissions and relatively coarse resolution. Machine learning techniques are comparatively easier to use, much less computationally expensive to use after training, and can produce more accurate estimations of surface concentrations than the CTM-based method. The interpretation of machine learning models often poses challenges, and in some cases, non-physical variables unrelated to SO2 are used as predictors. In this work, we create an artificial neural network (ANN) to relate OMI retrievals and archived GEOS-FP boundary layer heights to surface SO2 concentrations from the ChinaHighAirPollutants ChinaHighSO2 dataset (CHAP; Wei et al., 2023) on a seasonal average timescale from 2013-2018. Our model only utilizes five variables that are directly relevant to the satellite retrieval, lifetime, and spatial distribution of SO2. The model was trained on 16 seasons (four of each) with independent validation (one of each season) and testing datasets (one of each season) to avoid overfitting. Our ANN generates surface SO2 concentrations that are sensitive (slope = 0.51) and consistent (r = 0.74) with the CHAP data, but are underpredicted by an average of 1.2 ppbv with a mean absolute error of 2.2 ppbv. These results are better than recent studies utilizing the CTM method. To our knowledge, this is the best performing machine learning model that only uses physical variables to predict surface SO2. Our work demonstrates that a carefully constructed, simple ML model can accurately estimate surface-based SO2 concentrations from satellite VCD measurements, and this technique has future promise to expend to newer, higher resolution satellites and other air pollutants.

SO2, air quality, OMI, machine learning↗
DOE OSTI2024

NSA Site Science: Use of ARM Observations from Northern Alaska to Evaluate and Improve Prediction Capabilities

The Arctic is warming at a rate nearly double that of the rest of the planet, leading to profound changes in atmospheric, oceanic, and ice processes. The U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) user facility has played a significant role in Arctic research, operating observatories in Alaska's North Slope for over 25 years. These observatories provide a rich, and wide-reaching dataset that offers insight into atmospheric processes in northern Alaska. This report details the results of a nine-year research project (2015–2024) supported by the DOE Atmospheric Systems Research (ASR) program, that leverages data from ARM’s deployment of observing facilities at Utqiaġvik (known as the North Slope of Alaska, or NSA, site) and Oliktok Point, Alaska. The project was conducted in two phases: - Phase 1 (2015–2019): Focused on understanding key atmospheric processes at Oliktok Point, including cloud formation, high-latitude precipitation, aerosol-cloud interactions, and cloud properties. - Phase 2 (2019–2024): Extended the research to the broader North Slope region, using data from both Oliktok Point and Utqiaġvik. Topics explored included surface energy budgets, atmospheric stability, ice nucleation processes, and microphysics in Arctic clouds. The project resulted in numerous research products, including 50 peer-reviewed publications and dissertations, 169 presentations, and 10 data products. These products cover a variety of topics, including: - Cloud Macro- and Microphysical Properties: Arctic clouds play a crucial role in energy transfer, and accurate representation in models is critical. The study explored cloud transitions, ice crystal shapes, and dual-wavelength radar data to understand ice crystal habits and size distributions. - Aerosol Properties and Processes: The team examined aerosol sources in the Arctic, including industrial emissions and natural sources. Observations showed significant spatial gradients in aerosol concentrations due to human activities and wildfire smoke. The influence of aerosols on cloud formation and the surface energy budget was also assessed. - Aerosol-Cloud Interactions: Research revealed that aerosols might suppress cloud ice production, affecting cloud radiative forcing and precipitation. The impact of local industrial emissions on cloud properties was also investigated. - Contextualizing the North Slope of Alaska in the context of the broader Arctic: To understand broader trends, the project evaluated large-scale circulation patterns and the influence of weather systems on the Arctic. Studies indicated that large-scale processes play a significant role in temperature patterns and the timing of snowmelt. - Advancing ARM Observational and Modeling Capabilities: The project developed new radar data products and advanced measurement techniques, including clutter mitigation and drizzle detection. Uncrewed aerial systems (UAS) and tethered balloon systems (TBS) were deployed to gather detailed atmospheric data. Additionally, the project supported 10 early career scientists, providing training and mentorship to undergraduate interns, graduate students, postdoctoral researchers, and early career researchers. These efforts contributed to the advancement of ARM research capabilities and fostered a new generation of scientists skilled in Arctic atmospheric research. Ultimately, this ASR-supported project has provided valuable insights into Arctic atmospheric processes and their broader climate implications. Recommendations for future work include continuing support for long-term observing at Arctic locations to foster additional research, further exploration of aerosol-cloud interactions and the potential impacts of enhanced industrialization of the Arctic, and expanded use of uncrewed systems to gather data in this remote and harsh environment. Additionally, the data products developed by this work, and the data products developed through the ARM infrastructure, leave a treasure-trove of additional information that should be explored for many years to come to gain additional insight into physical processes in the Arctic atmosphere that drive the rapid changes occurring in at high latitudes and their global impact.

58 GEOSCIENCES↗
DOE OSTI2020

Calibration of calorimetric measurement in a liquid argon time projection chamber

The liquid argon time projection chamber provides high-resolution event images and excellent calorimetric resolution for studying neutrino physics and searching for beyond-standard-model physics. In this article, we review the main physics processes that affect detector response, including the electronics and field responses, space charge effects, electron attachment to impurities, diffusion, and recombination. We describe methods to measure those effects, which are used to calibrate the detector response and convert the measured raw analog-to-digital converter (ADC) counts into the original energy deposition.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2003

Preliminary Characterization of a Microbial Community of Rock Varnish from Death Valley, California

Rock varnish (also referred to as desert varnish in the literature because it is particularly noticeable in desert environments) is a dark, thin (typically 50-500 m thick), layered veneer composed of clay minerals cemented together by oxides and hydroxides of manganese and iron. Some scientists suggest that varnish may provide a historical record of environmental processes such as global warming and long-term climate change. However, despite more than 30 years of study using modern microanalytical and microbial culturing techniques, the nucleation and growth mechanisms of rock varnish remain a mystery. Rock varnish is of interest to the Mars science community because a varnish-like sheen has been reported on the rocks at the Viking Lander sites. It therefore important for us to understand the formation mechanisms of terrestrial varnish abiotic, biotic, or a combination of the two -- as this understanding may give us clues concerning the chemical and physical processes occurring on the surface of Mars. It is strongly believed by some in the biogeochemistry community that microbes have a role in forming rock varnish, and iron- and manganese-oxidation by microbes isolated from varnish has been extensively investigated. Only two of these studies have investigated the microbial genetics of varnish. These studies examined the morphological, physiological and molecular characteristics of microbes that had previously been cultured from various rock varnishes and identified the cultivars using 16S rDNA sequencing techniques. However, it is well known that most of organisms existing in nature are refractory to cultivation, so many important organisms would have been missed. The currently described work investigates the genetics of rock varnish microbial community from a site in the Whipple Mtns., south of Death Valley, CA, near Parker, Arizona. We employed both cultural and molecular techniques to characterize the microorganisms found within the varnish and surrounding soil with the objectives of (a) identifying microorganisms potentially involved in varnish formation, and (b) discovering microorganisms that simply use the varnish as an extreme habitat.

Kuhlman, K. R.↗
NASA NTRS1991

Gamma-ray bursts from sheared Alfven waves

The physical process by which sheared Alfven waves can accelerate electrons to a Lorentz factor of 10,000 to 100,000 within 5 km of the stellar surface is applied to a study of gamma-ray bursts, taking both resonant and nonresonant scattering into account. Several very encouraging features of the model are discussed. Although the field is oscillatory, virtually all the charges are ejected from the system, resulting in very little backheating of the stellar surface. The particle number density is accounted for naturally in terms of BA0 and m, which in principle are known from the physical manifestation of the agent causing the crustal disturbance. The resulting gamma-ray spectrum compares very favorably with the observation. The model restricts the geometry of the emission region, in the sense that only the Compton upscattering of soft photons from a warm polar cap can produce the correct spectral shape.

Melia, Fulvio↗
NASA NTRS2022

Review of Solar Energetic Particle Models

Solar Energetic Particle (SEP) events are interesting from a scientific perspective as they are the product of a broad set of physical processes from the corona out through the extent of the heliosphere, and provide insight into processes of particle acceleration and transport that are widely applicable in astrophysics. From the operations perspective, SEP events pose a radiation hazard for aviation, electronics in space, and human space exploration, in particular for missions outside of the Earth’s protective magnetosphere including to the Moon and Mars. Thus, it is critical to improve the scientific understanding of SEP events and use this understanding to develop and improve SEP forecasting capabilities to support operations. Many SEP models exist or are in development using a wide variety of approaches and with differing goals. These include computationally intensive physics-based models, fast and light empirical models, machine learning-based models, and mixed-model approaches. The aim of this paper is to summarize all of the SEP models currently developed in the scientific community, including a description of model approach, inputs and outputs, free parameters, and any published validations or comparisons with data.

Kathryn Whitman↗
DOE OSTI2024

Isopycnal Submesoscale Stirring Crucially Sustaining Subsurface Chlorophyll Maximum in Ocean Cyclonic Eddies

Abstract Mesoscale and submesoscale processes have crucial impacts on ocean biogeochemistry, importantly enhancing the primary production in nutrient‐deficient ocean regions. Yet, the intricate biophysical interplay still holds mysteries. Using targeted high‐resolution in situ observations in the South China Sea, we reveal that isopycnal submesoscale stirring serves as the primary driver of vertical nutrient transport to sustain the dome‐shaped subsurface chlorophyll maximum (SCM) within a long‐lived cyclonic mesoscale eddy. Density surface doming at the eddy core increased light exposure for phytoplankton production, while along‐isopycnal submesoscale stirring disrupted the mesoscale coherence and drove significant vertical exchange of tracers. These physical processes play a crucial role in maintaining the elevated phytoplankton biomass in the eddy core. Our findings shed light on the universal mechanism of how mesoscale and submesoscale coupling enhances primary production in ocean cyclonic eddies, highlighting the pivotal role of submesoscale stirring in structuring marine ecosystems.

Cao, Haijin↗
DOE OSTI2025

Software For Advanced Large-scale Analysis Of Magnetic Confinement For Numerical Design, Engineering & Research (salamander)

As magnetic confinement fusion energy gains traction internationally to enable abundant energy production, designing components for fusion systems is a pressing challenge. During the planned lifetime of a fusion device, components evolve in extreme environments and must withstand large, repeated thermal loads and bombardment by 14 MeV neutrons, plasma ions, and neutral particles (deuterium, tritium, and helium), corrosive conditions, etc. All these physical processes take place simultaneously, interact in intricate ways, and impose important constraints that can affect performance. Experimental data is rare and costly to obtain, making design particularly challenging. Predictive computational frameworks must be an integral part of an accelerated and cost-effective design process by modeling fusion system performance in simulated environments. To better understand component degradation and operational impacts on their performance, the Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering & Research (SALAMANDER) is designed as an open-source, fully integrated, multiphysics, multiscale, NQA-1 compliant framework facilitating 3D, high-fidelity fusion system modeling. To that end, SALAMANDER is a MOOSE-based framework, and therefore leverages MOOSE upstream libraries such as PETSc and libMesh to deliver sophisticated finite element, finite volume, and nonlinear solver technology for fusion energy simulations. SALAMANDER couples MOOSE physics module capabilities—such as thermal hydraulics, heat conduction, Navier-Stokes, and thermomechanics—with tritium transport via TMAP8, neutronics via Cardinal, and nascent particle-in-cell capabilities. Direct simulation Monte Carlo methods will be used to address neutral transport near the walls. By coupling all these physics in an integrated application, SALAMANDER will enable high-fidelity modeling of irradiation levels and plasma exposure conditions of plasma facing components and their impact on heat and tritium distributions, as well as the resulting mechanical constraints experienced by the plasma facing components and performance of blanket systems. Furthermore, SALAMANDER will be particularly suited for engineering studies thanks to the stochastic tool module readily available in MOOSE, allowing for extended uncertainty quantification and risk analysis studies. It is also able to use computer-aided design (CAD) meshes to model complex geometries, which is indispensable for fusion systems. SALAMANDER therefore supports design, safety, engineering, and research projects for magnetic confinement fusion systems

Simon, Pierre-Clement [Idaho National Laboratory (↗
NASA NTRS2001

Microphysics, Meteorology, Microwave and Modeling of Mediterranean Storms: The M(sup 5) Problem

Comprehensive understanding of the microphysical nature of Mediterranean storms requires a combination of in situ meteorological data analysis and radar-passive microwave data analysis, effectively integrated with numerical modeling studies at various scales, particularly from synoptic scale down to mesoscale. The microphysical properties of and their controls on severe storms are intrinsically related to meteorological processes under which storms have evolved, processes which eventually select and control the dominant microphysical properties themselves. Insofar as hazardous Mediterranean storms, highlighted by the September 25-28/1992 Genova flood event, the October 5-7/1998 Friuli flood event, and the October 13-15/2000 Piemonte flood event (all taking place in northern Italy), developing a comprehensive microphysical interpretation requires an understanding of the multiple phases of storm evolution and the heterogeneous nature of precipitation fields within the storm domains. This involves convective development, stratiform transition and decay, orographic lifting, and sloped frontal lifting proc esses. This also involves vertical motions and thermodynamical instabilities governing physical processes that determine details of the liquid/ice water contents, size distributions, and fall rates of the various modes of hydrometeors found within the storm environments. This paper presents detailed 4-dimensional analyses of the microphysical elements of the three severe Mediterranean storms identified above, investigated with the aid of SSM/I and TRMM satellite measurements (and other remote sensing measurements). The analyses are guided by nonhydrostatic mesoscale model simulations at high resolution of the intense rain producing portions of the storm environments. The results emphasize how meteorological controls taking place at the large scale, coupled with localized terrain controls, ultimately determine the most salient features of the bulk microphysical properties of the storms. These results have bearing on precipitation remote sensing from space, and the role of modeling in designing precipitation retrieval algorithms.

Smith, Eric A.↗
NASA NTRS2002

Variable Order and Distributed Order Fractional Operators

Many physical processes appear to exhibit fractional order behavior that may vary with time or space. The continuum of order in the fractional calculus allows the order of the fractional operator to be considered as a variable. This paper develops the concept of variable and distributed order fractional operators. Definitions based on the Riemann-Liouville definitions are introduced and behavior of the operators is studied. Several time domain definitions that assign different arguments to the order q in the Riemann-Liouville definition are introduced. For each of these definitions various characteristics are determined. These include: time invariance of the operator, operator initialization, physical realization, linearity, operational transforms. and memory characteristics of the defining kernels. A measure (m2) for memory retentiveness of the order history is introduced. A generalized linear argument for the order q allows the concept of "tailored" variable order fractional operators whose a, memory may be chosen for a particular application. Memory retentiveness (m2) and order dynamic behavior are investigated and applications are shown. The concept of distributed order operators where the order of the time based operator depends on an additional independent (spatial) variable is also forwarded. Several definitions and their Laplace transforms are developed, analysis methods with these operators are demonstrated, and examples shown. Finally operators of multivariable and distributed order are defined in their various applications are outlined.

Lorenzo, Carl F.↗
DOE OSTI2024

Cyclic Injection Leads to Larger and More Frequent Induced Earthquakes under Volume-Controlled Conditions

As carbon storage technologies advance globally, methods to understand and mitigate induced earthquakes become increasingly important. Although the physical processes that relate increased subsurface pore pressure changes to induced earthquakes have long been known, reliable methods to forecast and control induced seismic sequences remain elusive. Suggested reservoir engineering scenarios for mitigating induced earthquakes typically involve modulation of the injection rate. Some operators have implemented periodic shutdowns (i.e., effective cycling of injection rates) to allow reservoir pressures to equilibrate (e.g., Paradox Valley) or shut-in wells after the occurrence of an event of concern (e.g., Basel, Switzerland). Other proposed scenarios include altering injection rates, actively managing pressures through coproduction of fluids, and preinjection brine extraction. Here, in this work, we use 3D physics-based earthquake simulations to understand the effects of different injection scenarios on induced earthquake rates, maximum event magnitudes, and postinjection seismicity. For comparability, the modeled injection considers the same cumulative volume over the project’s operational life but varies the schedule and rates of fluid injected. Simulation results show that cyclic injection leads to more frequent and larger events than constant injection. Furthermore, with intermittent injection scenario, a significant number of events are shown to occur during pauses in injection, and the seismicity rate remains elevated for longer into the postinjection phase compared to the constant injection scenario.

58 GEOSCIENCES↗
DOE OSTI2025

Searches for New Long-Lived Particles and Upgrade to the ATLAS Inner Detector (Final Technical Report)

The search for new fundamental particles is one of the defining goals of the Large Hadron Collider (LHC). The discovery of the Higgs Boson by the ATLAS and CMS collaborations provided the capstone of the Standard Model of particle physics, but outstanding questions remain. Why does the Higgs boson have a mass of 125 GeV when its natural mass would be many orders of magnitude larger? Is there a universal symmetry which unites all three forces described by the Standard Model? Can that symmetry be extended to include gravity? Is dark matter, evidenced by astronomical observations, made of a particle that interacts via Standard Model forces with the rest of matter? Together, these motivations provide compelling arguments that new physical processes await discovery. This project addressed some outstanding questions about the fundamental particles and their interactions with the ATLAS experiment at the Large Hadron Collider. In particular, the project improved the discovery potential for new, long- lived particles produced via electroweak processes in proton-proton collisions and set world-leading limits on their existence for certain values of their potential mass and lifetime. To achieve this, the project developed new data analysis methods, developed new triggers to select events with new long-lived particles during data-taking of the ATLAS experiment, and analyzed the largest proton–proton collision dataset ever produced. The project also supported significant development of the data acquisition software for the upgrade to the ATLAS inner detector, the Inner TracKer (ITk). The upgrade of the ATLAS inner detector is essential to the success of the entire Phase II physics program on ATLAS. Personnel supported by the project provided support for integration, assembly, and testing of the inner two layers of the ITk pixel system during its prototype and pre-production phase. Four PhD students and two post-doctoral scholars were supported by the grant and received invaluable scientific training as part of the research endeavor. The students and postdocs gained essential professional skills in the areas of advanced data analysis techniques, statistical analysis of data and simulation, programming in C++ and Python, hardware and instrumentation development, and presentation and collaboration skills. Additionally, approximately ten undergraduate students supported through other funding sources participated in research activities synergistic with the goals of this project, receiving essential mentorship from the personnel supported by this project.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1982

Mathematical modeling of ice accretion on airfoils

The progress toward development of a computer model suitable for predicting icing behavior on airfoils over a wide range of environmental conditions and airfoils shapes is reported. The LEWICE program was formulated to solve a set of equations which describe the physical processes which occur during accretion of ice on an airfoil, including heat transfer in a time dependent mode, with the restriction that the flow must be describable by a two-dimensional flow code. Input data comprises the cloud liquid water content, mean droplet diameter, ambient air temperature, air velocity, and relative humidity. A potential flowfield around the airfoil is calculated, along with the droplet trajectories within the flowfield, followed by local values of water droplet collection efficiency at the impact points. Both glaze and rime ice conditions are reproduced, and comparisons with test results on icing of circular cylinders showed good agreement with the physical situation.

Macarthur, C. D.↗
DOE OSTI2023

Artifact identification in X-ray diffraction data using machine learning methods

In situ synchrotron high-energy X-ray powder diffraction (XRD) is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices ( e.g. battery materials) or in complex sample environments ( e.g. diamond anvil cells or syntheses reactors). An atomic structure of a material can be identified by its diffraction pattern along with a detailed analysis of the Rietveld refinement which yields rich information on the structure and the material, such as crystallite size, microstrain and defects. For in situ experiments, a series of XRD images is usually collected on the same sample under different conditions ( e.g. adiabatic conditions) yielding different states of matter, or is simply collected continuously as a function of time to track the change of a sample during a chemical or physical process. In situ experiments are usually performed with area detectors and collect images composed of diffraction patterns. For an ideal powder, the diffraction pattern should be a series of concentric Debye–Scherrer rings with evenly distributed intensities in each ring. For a realistic sample, one may observe different characteristics other than the typical ring pattern, such as textures or preferred orientations and single-crystal diffraction spots. Textures or preferred orientations usually have several parts of a ring that are more intense than the rest, whereas single-crystal diffraction spots are localized intense spots owing to diffraction of large crystals, typically >10 µm. In this work, an investigation of machine learning methods is presented for fast and reliable identification and separation of the single-crystal diffraction spots in XRD images. The exclusion of artifacts during an XRD image integration process allows a precise analysis of the powder diffraction rings of interest. When it is trained with small subsets of highly diverse datasets, the gradient boosting method can consistently produce high-accuracy results. The method dramatically decreases the amount of time spent identifying and separating single-crystal diffraction spots in comparison with the conventional method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Fundamental physics opportunities with future ground-based mm/sub-mm VLBI arrays

The Event Horizon Telescope (EHT) Collaboration recently published the first images of the supermassive black holes in the cores of the Messier 87 and Milky Way galaxies. These observations have provided a new means to study supermassive black holes and probe physical processes occurring in the strong-field regime. We review the prospects of future observations and theoretical studies of supermassive black hole systems. Current ground-based very-long-baseline interferometry (VLBI) arrays like the EHT and proposed future extensions like the next-generation Event Horizon Telescope will greatly enhance the capabilities of black-hole imaging interferometry. These enhancements will open up several previously inaccessible avenues of investigation, thereby providing important new insights into the properties of supermassive black holes and their environments. This review describes the current state of knowledge for five key science cases, summarising the unique challenges and opportunities for fundamental physics investigations that future mm/sub-mm VLBI developments will enable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗