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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

High-Temperature Stability of Aqueous Foams as Potential Waterless Hydrofracking Fluid for Geothermal Reservoir Stimulation

Hydraulic fracturing is the process of fracturing rock formations with high-pressure water-based fluids. In Enhanced Geothermal Systems (EGS) hydraulic fracturing is carried out by injecting high-pressure fluids into the Hot Dry Rocks (HDR) under carefully controlled conditions. The fluid used for fracturing is an important component for EGS, not only concerning the technical approch but also environmental impact. Recent research has been carried out to develop waterless fracturing technologies for EGS, including foam-based hydrofracking, where foams are mixtures of gas and liquid fluids. Foam fracturing fluids have potential benefits over water-based fluids because of less water consumption, less damage in water sensitive formations, and less liquid to recover and handle after fracturing process. One challenge for implementing foam fracturing in EGS is to achieve stable foams at high temperatures, as the foam stability tends to decay with increase in temperature.This research is focused on investigating the stability of foams at high temperatures. Preliminary results show that 1) N2 foams are more stable compared to CO2 foams, 2) foams containing only surfactants were not stable at high temperatures, and 3) addition of different stabilizing agents increased the thermal stability of all the foams. It was observed that different stabilizing agents interacted differently with anionic, nonionic, and cationic surfactants. It was further shown that the crosslinking agent with a base solution of pH 6 and graphene oxide dispersion was the most effective stabilizing agent for anionic surfactant AOS, while bentonite clay effectively enhanced thermal stability for another anionic surfactant SDS. SiO2 nanoparticles showed limited improvement in thermal stability at high temperatures compared to other stabilizing agents.

Thakore, Virensinh↗
DOE OSTI2026

CHESS 2025: Leaf Area Index (LAI) for meadow, shrub, tree, and understory vegetation

This dataset contains Leaf Area Index (LAI) measurements made as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Data were collected in the Upper Gunnison Basin, Colorado, across three study domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). Field observations of LAI were collected within 72 hours of airborne data collection by the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. LAI measurements were collected using the LICOR LAI-2200C Plant Canopy Analyzer following protocols outlined in the instrument manual (LI-COR 2019). Sampling targeted four distinct vegetation types: meadows, shrubs, trees, and aspen forest understory. We have archived data separately by site type because different field methods were used for each. At meadow sites, measurements were made at the four corners of 1m x 1m plots, with the instrument moving inward toward the center of the plot. At shrub sites, we measured the canopies of individual shrubs. At tree sites, we made measurements within a 10m x 10m subplot centered around a focal tree, with 30 observations taken on a regular grid. At aspen understory sites, we measured overstory trees following the tree protocol and understory herbaceous vegetation following the meadow protocol. All measurements included above-canopy (A) and below-canopy (B) readings, with specific protocols for scattering correction measurements in direct-sun conditions. Data were processed using the R package `rlai` (Worsham 2025). This package includes functions to calculate LAI, gap fraction, apparent clumping factor (Ω), scattering correction, and other canopy metrics. Package contents: Full file descriptions appear in ‘flmd.csv’. Files named according to the convention ‘lai_*_summary_data_cleaned.csv’ contain summary values of LAI, apparent clumping factor (Ωapp), and scattering correction factors for each site. These are the analysis-ready products that most data users will work with. Files named ‘lai_*_metadata_cleaned.csv’ contain additional site-level observations made during field collection. We have also archived intermediate and supplementary data for users who wish to check our processing approach or apply alternative methods. ‘raw_lai_2200C.zip’ contains the raw files as read from the LI-COR instrument, with no processing applied, in TXT format. The zip archive contains subdirectories by site type, which are further subdivided by sampling area. Filenames correspond to the sampling site number. ‘intermediate_results.zip’ contains detailed output from the processing routines, in JSON format. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘scattering_correction_logs.zip’ contains logfiles from the implementation of Kobayashi et al.'s (2013) scattering correction algorithm. The logfiles report values of several parameters at each iteration of the algorithm, as the model converges toward a stable solution. They are intended for users who want to verify scattering correction performance. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘spot_checks.csv’ reports LAI and other values for a small number of files processed with LI-COR FV2200 software (LI-COR 2013) using the same control parameters as in our R-based approach. Additional metadata are provided in a data dictionary describing column names and definitions (dd.csv), and in a file-level metadata file (flmd.csv). All zip files can be expanded with common archive utilities. TXT, CSV, and JSON files can be ingested into R or Python computing environments or read in common text editor utilities. Geospatial information: Geospatial data for mapping measurement site locations are in the files CHESS_polygons_lai_UTM.geojson, CHESS_polygons_shrub_UTM.geojson, and CHESS_polygons_meadow_UTM.geojson in the companion geospatial package for the 2025 CHESS campaign, ‘CHESS 2025: Location data for field observations and sampling’ (Henderson et al., 2026). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. * Todorov and Worsham are co–first authors.

2018 NEON and 2025 CHESS Campaigns↗
DOE OSTI2023

Physics informed deep neural network embedded in a chemical transport model for the Amazon rainforest

Secondary organic aerosols (SOA) are fine particles in the atmosphere, which interact with clouds, radiation and affect the Earth’s energy budget. SOA formation involves chemistry in gas phase, aqueous aerosols, and clouds. Simulating these chemical processes involve solving a stiff set of differential equations, which are computationally expensive steps for three-dimensional chemical transport models. Deep neural networks (DNNs) are universal function approximators that could be used to represent the complex nonlinear changes in aerosol physical and chemical processes; however, key challenges such as generalizability to extended time periods, preservation of mass balance, simulating sparse model outputs, and maintaining physical constraints have limited their use in atmospheric chemistry. Here, we develop an approach of using a physics-informed DNN that overcomes previous such challenges and demonstrates its applicability for the chemical formation processes of isoprene epoxydiol SOA (IEPOX-SOA) over the Amazon rainforest. The DNN is trained with data generated by simulating IEPOX-SOA over the entire atmospheric column, using the Weather Research and Forecasting Model coupled with Chemistry (WRF-Chem). The trained DNN is then embedded within WRF-Chem to replace the computationally expensive default solver of IEPOX-SOA formation. The trained DNN predictions generalizes well with the default model simulation of the IEPOX-SOA mass concentrations and its size distribution (20 size bins) over several days of simulations in both dry and wet seasons. The embedded DNN reduces the computational expense of WRF-Chem by a factor of 2. Our approach shows promise in terms of application to other computationally expensive chemistry solvers in climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

In situ high-temperature 3D imaging of the damage evolution in a SiC nuclear fuel cladding material

Silicon carbide (SiC)-based nuclear fission fuel rod cladding has been considered as one of the possible designs for accident tolerant fuels. It is in the form of a SiC fibre reinforced SiC matrix composite tube (SiC f -SiC m ) with monolithic SiC outer and/or inner coating layers. This study focuses on the deformation and fracture processes in this material using in situ X-ray micro-computed tomography (XCT) at room temperature (RT) and 1200 °C in an inert gas environment in a C-ring compression loading configuration. Prior to testing, local properties and residual stresses were characterised using nanoindentation and Raman spectroscopy since they can impact the mechanical behaviour of the material. The 3D strain distribution, crack formation and propagation processes including the toughening mechanisms (e.g., crack deflection, micro-cracking, crack bridging and bifurcation) are investigated in the coating and underlying composites at RT and 1200 °C. There is no particular sequence which toughening mechanism occurs first – this is very different from the conventional toughening theory in ceramic-matrix composites under uniaxial tension loading. Indeed, no evidence of fibre pull-out or fibre fracture was observed in this SiC f -SiC m nuclear cladding material in the current C-ring compression configuration. The correlation between local measurements and bulk mechanical behaviour are discussed.

3D imaging↗
DOE OSTI2025

DECOVALEX-2023: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX initiative is an international research collaboration (www.decovalex.org), initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of the complex perturbations and coupled processes in geologic repositories and how these impact long-term performance predictions. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2023, started in early 2020 and ended in late 2023. More than fifty research teams associated with 17 international DECOVALEX partner organizations participated in the comparative evaluation of eight modeling tasks covering a wide range of spatial and temporal scales, geological formations, and coupled processes. This Virtual Special Issue on DECOVALEX-2023 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes. While primarily focused on radioactive waste, much of the work included here has wider application to many geoengineering topics.

Coupled processes↗
DOE OSTI2022

Homogeneous CuGaSe 2 growth by the CuPRO process with In-Situ AgBr treatment

Homogeneous CuGaSe 2 thin film growth is limited by slow kinetics of formation. A modified growth process was previously developed to address this issue but requires two separate long, high temperature anneals. Here, we demonstrate that a short AgBr treatment can replace this modified growth process. The AgBr works as a transport agent to catalyze CuGaSe 2 formation and atomic mobility. Furthermore, this treatment results in large grains with homogeneous composition through the bulk. Solar cells made with this material show better performance.

14 SOLAR ENERGY↗
DOE OSTI2020

Neutrino signal from proto-neutron star evolution: Effects of opacities from charged-current–neutrino interactions and inverse neutron decay

In this work, we investigate the impact of charged-current–neutrino processes on the formation and evolution of neutrino spectra during the deleptonization of proto-neutron stars. To this end we develop the full kinematics of these reaction rates consistent with the nuclear equation of state, including weak magnetism contributions. This allows us to systematically study the impact of inelastic contributions and weak magnetism on the $ν_e$ and $\bar{ν}_e$ luminosities and average energies. Furthermore, we explore the role of the inverse neutron decay, also known as the direct Urca process, on the emitted spectra of $\bar{ν}_e$. This process is commonly considered in the cooling scenario of cold neutron stars but has so far been neglected in the evolution of hot proto-neutron stars. We find that the inverse neutron decay becomes the dominating opacity source for low-energy $\bar{ν}_e$. Accurate three-flavor Boltzmann neutrino transport enables us to relate the magnitude of neutrino fluxes and spectra to details of the treatment of weak processes. This allows us to quantify the corresponding impact on the conditions relevant for the nucleosynthesis in the neutrino-driven wind, which is ejected from the proto-neutron star surface during the deleptonization phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The environment of Lyman break analogues (ELBA) survey: star-forming galaxies in small groups

ABSTRACT The environment of Lyman break analogues survey is an imaging survey of 33 deg2 of the southern sky. The survey was observed in u, g, r, and i bands with the Dark Energy Camera on the Blanco telescope. The main goal of this project is to investigate the environment of Lyman break analogues (LBAs) low-redshift (z ∼0.2) galaxies that are remarkably similar to typical star-forming galaxies at z ∼ 3. We explore whether the environment has any influence on the observed properties of these galaxies, providing valuable insight on the formation and evolution of galaxies over cosmic time. Using the nearest neighbour method, we measure the local density of each object ranging from small to large scales (clusters of galaxies). Comparing the environment around LBAs with that of the general galaxy population in the field, we conclude that LBAs, on average, populate denser regions at small scales, but are located in similar environment to other star-forming galaxies at larger cluster-like scales. This offers evidence that nearby encounters such as mergers may influence the star formation activity in LBAs, before infall on to larger galaxy clusters. We interpret this as an indication of galaxy pre-processing, in agreement with theoretical expectations for galaxies at z ∼ 2–3 where the gravitational interactions are more intense in early formation processes of these objects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

In situ X-ray imaging of pore formation mechanisms and dynamics in laser powder-blown directed energy deposition additive manufacturing

Directed energy deposition (DED) additive manufacturing (AM) is receiving growing attention in many applications, such as repair, remanufacturing, and fabrication of functionally graded structures. However, the laser-matter interactions and melt pool dynamics in laser DED with powder flow are still unclear, particularly in how pores form and flow inside the melt pool during the process. Understanding the porosity formation mechanisms is critical in the qualification, certification, and overall properties of a DED AM part. Porosity is a common phenomenon and can significantly hinder the quality of DED fabricated parts, as the pores can act as sites of crack nucleation and propagation. Here in this paper, we reveal four types of pore formation mechanisms through in-situ and operando high-speed high-resolution X-ray imaging in the DED AM process. Our results confirm that porosity within the feedstock powder induces pores in the process. We also observed pore formation mechanisms unique to the laser-based, powder-blown DED process as a result of powder delivery, keyhole dynamics, melt pool dynamics, and shield gas. High-speed X-ray images provide direct evidence for pore formation mechanisms and show that the pores related to the interaction between the delivered powder and melt pool are the largest in size in laser-based powder-blown DED AM. These results will guide porosity mitigation, elimination, and control in DED AM.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Imaging solid–electrolyte interphase dynamics using operando reflection interference microscopy

The quality of the solid–electrolyte interphase is crucial for the performance of most battery chemistries, but its formation dynamics during operation are not well understood due to a lack of reliable operando characterization techniques. Herein, we report a dynamic, non-invasive, operando reflection interference microscope to enable the real-time imaging of the solid–electrolyte interphase during its formation and evolution processes with high sensitivity. The stratified structure of the solid–electrolyte interphase formed during four distinct steps includes the emergence of a permanent inner inorganic layer enriched in LiF, a transient assembly of an interfacial electrified double layer and a consequent emergence of a temporary outer organic-rich layer whose presence is reversible with electrochemical cycling. Reflection interference microscope imaging reveals an inverse correlation between the thicknesses of two interphasial subcomponents, implying that the permanent inorganic-rich inner layer dictates the organic-rich outer layer formation and lithium nucleation. In conclusion, the real-time visualization of solid–electrolyte interphase dynamics provides a powerful tool for the rational design of battery interphases.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Formation and transformation of manganese(III) intermediates in the photochemical generation of manganese(IV) oxide minerals

As important natural oxidants and adsorbents, manganese (Mn) oxide minerals affect the speciation, bioavailability and fate of pollutants and nutrient elements. It was found that birnessite-type Mn(IV) oxide minerals can be formed in the presence of NO 3 – and solar irradiation. However, the photochemical formation and transformation processes from Mn 2+ to Mn(IV) oxide minerals remain unclear. In this work, the Mn(IV) oxide minerals were confirmed to be photochemically formed mainly due to the disproportionation of Mn(III) intermediates generated from the oxidation of Mn 2+ in the presence of NO 3 – under UV light irradiation. The oxidation rate of Mn 2+ to Mn(IV) oxide minerals decreased with increasing initial Mn 2+ concentration due to the lower disproportionation rate. The increase in NO 3 – concentration, pH and temperature promoted Mn 2+ photochemical oxidation. The photochemical formation rate of Mn(IV) oxide minerals increased with increasing ligand concentrations at low ligand concentrations. Ligands affected the formation of Mn(IV) oxide minerals by promoting the formation and reducing the reactivity of Mn(III) intermediates. Altogether, this work reveals the important role of Mn(III) intermediates in the formation of natural Mn oxide minerals.

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

Quantitatively controlled electrophoretic deposition of nanocrystal films from non-aqueous suspensions

This study presents a novel method to correlate the mass and charge transfer kinetics during the electrophoretic deposition of nanocrystal films by using a purpose-built double quartz crystal microbalance combined with simultaneous current-measurement. Our data support a multistep process for film formation: generation of charged nanocrystal flux, charge transfer at the electrode, and polarization of neutral nanocrystals near the electrode surface. The polarized particles are then subject to dielectrophoretic forces that reduce diffusion away from the interface, generating a sufficiently high neutral particle concentration at the interface to form a film. The correlation of mass and charge transfer enables quantification of the nanocrystal charge, the fraction of charged nanocrystals, and the initial sticking coefficient of the particles. These quantities permit calculation of the film thickness, providing a theoretical basis for using concentration and voltage as process parameters to grow films of targeted thicknesses.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Mitigating Scatter in Mechanical Properties in AISI 410 Fabricated via Arc-Based Additive Manufacturing Process

Wire-based metal additive manufacturing utilizes the ability of additive manufacturing to fabricate complex geometries with high deposition rates (above 7 kg/h), thus finding applications in the fabrication of large-scale components, such as stamping dies. Traditionally, the workhorse materials for stamping dies have been martensitic steels. However, the complex thermal gyrations induced during additive manufacturing can cause the evolution of an inhomogeneous microstructure, which leads to a significant scatter in the mechanical properties, especially the toughness. Therefore, to understand these phenomena, arc-based additive AISI 410 samples were fabricated using robotic gas metal arc welding (GMAW) and were subjected to a detailed characterization campaign. The results show significant scatter in the tensile properties as well as Charpy V-notch impact toughness data, which was then correlated to the microstructural heterogeneity and delta (δ) ferrite formation. Post-processing (austenitizing and tempering) treatments were developed and an ~70% reduction in the scatter of tensile data and a four-times improvement in the toughness were obtained. The changes in mechanical properties were rationalized based on the microstructure evolution during additive manufacturing. Based on these, an outline to tailor the composition of “printable” steels for tooling with isotropic and uniform mechanical properties is presented and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Active Site Dynamics in Molybdenum-Based Silica-Supported Olefin Metathesis Catalysts: Site Renewal and Decay Beyond the Chauvin Cycle

Heterogeneous olefin metathesis catalysts exhibit low active site densities and unpredictable kinetics due to dynamic active site formation and decay processes. Here, in this study, we establish a quantitative framework that captures active site generation, renewal, and decay in olefin metathesis over silica-supported molybdenum oxide catalysts, enabling a mechanistic explanation of catalytic behavior and strategies to achieve high, stable activity. Steady-state active site titrations reveal that 2,3-dimethyl-butene isomers (4MEs) cofeeding increases active site density by up to 4.3-fold, directly correlating with enhanced metathesis rates. Spectroscopic studies demonstrate that 4MEs facilitate Mo(VI) reduction to Mo(IV) and interact strongly with surface Si–OH groups, generating labile protons that promote active site formation via a 1,2-proton shift mechanism. Kinetic modeling indicates that ethylene acts as a decay promoter, shifting kinetic control away from the Chauvin cycle and suppressing metathesis activity. Comparative studies on catalysts with varying Mo loading reveal that promotion is most effective for dispersed molybdate species, with a decline at higher Mo loadings. These findings provide a unified mechanistic framework for heterogeneous olefin metathesis, offering new strategies to enhance active site accessibility, mitigate deactivation, and optimize catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Bridging length scales in hard materials with ultra-small angle X-ray scattering – a critical review

Owing to their exceptional properties, hard materials such as advanced ceramics, metals and composites have enormous economic and societal value, with applications across numerous industries. Understanding their microstructural characteristics is crucial for enhancing their performance, materials development and unleashing their potential for future innovative applications. However, their microstructures are unambiguously hierarchical and typically span several length scales, from sub-ångstrom to micrometres, posing demanding challenges for their characterization, especially for in situ characterization which is critical to understanding the kinetic processes controlling microstructure formation. This review provides a comprehensive description of the rapidly developing technique of ultra-small angle X-ray scattering (USAXS), a nondestructive method for probing the nano-to-micrometre scale features of hard materials. USAXS and its complementary techniques, when developed for and applied to hard materials, offer valuable insights into their porosity, grain size, phase composition and inhomogeneities. We discuss the fundamental principles, instrumentation, advantages, challenges and global status of USAXS for hard materials. Using selected examples, we demonstrate the potential of this technique for unveiling the microstructural characteristics of hard materials and its relevance to advanced materials development and manufacturing process optimization. We also provide our perspective on the opportunities and challenges for the continued development of USAXS, including multimodal characterization, coherent scattering, time-resolved studies, machine learning and autonomous experiments. Our goal is to stimulate further implementation and exploration of USAXS techniques and inspire their broader adoption across various domains of hard materials science, thereby driving the field toward discoveries and further developments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Methane mass transfer in mesoporous silica saturated with liquid hydrocarbons

Mass transfer across gas/liquid interfaces plays a central role in many industrial applications. In particular, gas dissolution and diffusion in liquid hydrocarbon mixtures, confined in nanometer-sized pores, is an essential mechanism during enhanced oil recovery (EOR) from unconventional formations. In this work, we have measured methane (C 1 ) diffusion in n-decane (C 10 ), n-hexadecane (C 16 ), and mixtures of C 10 + C 16 in a mesoporous material with an average pore size of 4 nm at 50 °C and ~ 8 MPa of gas pressure. A key conclusion of this work is that the diffusivities, measured in the bulk phase, for the relevant binary systems, are sufficient to predict the diffusion behavior of the corresponding multicomponent systems in the porous medium by using Wilke’s equation for the evaluation of effective component diffusivities, combined with an accurate equation of state (EOS) representation of the (bulk) phase behavior. This observation can facilitate accurate prediction of recovery processes in unconventional formations and, potentially, guide other applications that entail gas-liquid interface mass transfer in mesoporous materials.

42 ENGINEERING↗
DOE OSTI2023

Dielectrics Under Extreme Electric Fields: In Situ Studies on Nanoscale Mechanisms (Final Technical Report)

The lack of materials that can function reliably under extreme electric fields is a critical roadblock to achieving higher energy efficiency and extended service lifetime of devices in electricity generation, transmission, and consumption. Materials typically fail at two or three orders of magnitude below their theoretical dielectric breakdown strength. Identifying the origins of premature dielectric breakdown using state-of-the-art characterization tools will, therefore, enable the design and discovery of transformational materials capable of approaching their intrinsic limits. The vast improvement in the resolution power of imaging tools, combined with the recently developed in situ electric biasing technique, has made high resolution observations of dielectric breakdown as it happens possible. The overall goal of the project is to directly image the dynamic processes of defect formation, accumulation, and interaction with preexisting defects (e.g., dislocations, domain walls, and grain boundaries in crystalline dielectric films) under electric fields up to 1,000 MV/m with a temporal resolution better than 5 microseconds. Using the newly acquired, custom-made Hysitron PI95 transmission electron microscopy (TEM) specimen holder, in situ TEM observations of breakdown at the sub nanometer resolution will be made on representative dielectric compounds with progressive complexities: the linear dielectric SiO 2 , CuO, and TiO 2 , the ferroelectric BaTiO 3 nanocrystals and nanocubes. Through direct observation of the breakdown event at high spatial and temporal resolutions, the nanoscale mechanisms for the failure of dielectrics under intense electric fields will be identified. The results of the project will be applied to the design and processing of new dielectric materials with higher efficiency, improved reliability, and a prolonged lifetime. Such new dielectrics are urgently needed for modernizing energy infrastructures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Application of advanced causal analyses to identify processes governing secondary organic aerosols

Abstract Understanding how different physical and chemical atmospheric processes affect the formation of fine particles has been a persistent challenge. Inferring causal relations between the various measured features affecting the formation of secondary organic aerosol (SOA) particles is complicated since correlations between variables do not necessarily imply causality. Here, we apply a state-of-the-art information transfer measure coupled with the Koopman operator framework to infer causal relations between isoprene epoxydiol SOA (IEPOX-SOA) and different chemistry and meteorological variables derived from detailed regional model predictions over the Amazon rainforest. IEPOX-SOA represents one of the most complex SOA formation pathways and is formed by the interactions between natural biogenic isoprene emissions and anthropogenic emissions affecting sulfate, acidity and particle water. Since the regional model captures the known relations of IEPOX-SOA with different chemistry and meteorological features, their simulated time series implicitly include their causal relations. We show that our causal model successfully infers the known major causal relations between total particle phase 2-methyl tetrols (the dominant component of IEPOX-SOA over the Amazon) and input features. We provide the first proof of concept that the application of our causal model better identifies causal relations compared to correlation and random forest analyses performed over the same dataset. Our work has tremendous implications, as our methodology of causal discovery could be used to identify unknown processes and features affecting fine particles and atmospheric chemistry in the Earth’s atmosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗