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DOE OSTI2026

Flux Cube Reconstruction from Slitless Spectroscopy

Slitless spectroscopy enables efficient, large-area surveys without target preselection, yet it faces challenges from source blending, higher noise, and lost spatial–spectral information. We present an advanced, nonparametric, data-driven algorithm that leverages multiple dispersion angles to reconstruct three-dimensional flux distributions, providing low-resolution integral field unit capabilities from slitless data. By treating each pixel as an independent element, our method naturally handles source confusion without requiring prior assumptions regarding redshifts, templates, or model libraries. We validate the algorithm using simulated Roman Space Telescope wide-field slitless spectroscopy images that are equivalent to what is expected from the High-Latitude Time-Domain Survey. First, we demonstrate that a host-galaxy model reconstructed from multiple dispersion angles can be used to accurately subtract host light from a transient, recovering a Type Ia supernova spectrum with minimal bias. Second, we showcase a high-fidelity flux-cube reconstruction of a complex galaxy, successfully measuring the redshift and recovering continuum, emission, and absorption features. This approach highlights the potential of multi-dispersion-angle slitless data to provide spatially resolved spectral information in a nonparametric way, which is traditionally accessible only with integral field spectroscopy, opening a new window into large, unbiased, and spatially resolved studies of galaxy evolution.

Griggio, M. [Space Telescope Science Institute, Ba↗

DOE OSTI2021

Lensing without borders – I. A blind comparison of the amplitude of galaxy–galaxy lensing between independent imaging surveys

ABSTRACT Lensing without borders is a cross-survey collaboration created to assess the consistency of galaxy–galaxy lensing signals (ΔΣ) across different data sets and to carry out end-to-end tests of systematic errors. We perform a blind comparison of the amplitude of ΔΣ using lens samples from BOSS and six independent lensing surveys. We find good agreement between empirically estimated and reported systematic errors which agree to better than 2.3σ in four lens bins and three radial ranges. For lenses with zL > 0.43 and considering statistical errors, we detect a 3–4σ correlation between lensing amplitude and survey depth. This correlation could arise from the increasing impact at higher redshift of unrecognized galaxy blends on shear calibration and imperfections in photometric redshift calibration. At zL > 0.54, amplitudes may additionally correlate with foreground stellar density. The amplitude of these trends is within survey-defined systematic error budgets that are designed to include known shear and redshift calibration uncertainty. Using a fully empirical and conservative method, we do not find evidence for large unknown systematics. Systematic errors greater than 15 per cent (25 per cent) ruled out in three lens bins at 68 per cent (95 per cent) confidence at z < 0.54. Differences with respect to predictions based on clustering are observed to be at the 20–30 per cent level. Our results therefore suggest that lensing systematics alone are unlikely to fully explain the ‘lensing is low’ effect at z < 0.54. This analysis demonstrates the power of cross-survey comparisons and provides a promising path for identifying and reducing systematics in future lensing analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Relationships between summertime surface albedo and melt pond fraction in the central Arctic Ocean: The aggregate scale of albedo obtained on the MOSAiC floe

As part of the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC), the HELiX uncrewed aircraft system (UAS) was deployed over the sea ice in the central Arctic Ocean during summer 2020. Albedo measurements were obtained with stabilized pyranometers, and melt pond fraction was calculated from orthomosaic imagery from a surface-imaging multispectral camera. This study analyzed HELiX flight data to provide insights on the temporal and spatial evolution of albedo and melt pond fraction of the MOSAiC floe during the melt season as it drifted south through Fram Strait. The surface albedo distributions showed peak values changing from high albedo (0.55–0.6) to lower values (0.3) as the season advanced. Inspired by methods developed for satellite data, an algorithm was established to retrieve melt pond fraction from the orthomosaic images. We demonstrate that the near-surface observations of melt pond fraction were highly dependent on sample area, offering insight into the influence of subgrid scale features and spatial heterogeneity in satellite observations. Vertical observations conducted with the HELiX were used to quantify the influence of melt pond scales on observed surface albedo as a function of sensor footprint. These scaling results were used to link surface-based measurements collected during MOSAiC to broader-scale satellite data to investigate the influence of surface features on observed albedo. Albedo values blend underlying features within the sensor footprint, as determined by the melt pond size and concentration. This study framed the downscaling (upscaling) problem related to the airborne (surface) observations of surface albedo across a variety of spatial scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Spatial Distribution and Clustering of Glycosaminoglycans in Electrospun Gelatin-Based Scaffolds

The extracellular matrix (ECM) is comprised of components like collagen, elastin, and glycosaminoglycans (GAGs). Electrospun fibrous scaffolds are designed to replicate the form and composition of the native ECM, often requiring blending of various ECM component mimics to enhance cellular responses. However, the spatial distribution of blended components within these fibers remains unclear. This study investigates the spatial distribution of chondroitin sulfate-C (CSC) in electrospun gelatin-based scaffolds. scanning electron microscopy (SEM), attenuated reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and Time-of-flight Secondary Ion Mass Spectrometry (ToF-SIMS) were applied for surface and subsurface chemical characterization of the fibrous scaffolds. SEM confirmed a fibrous morphology, while ATR-FTIR and XPS analyses indicated the presence of CSC through the identification of sulfate groups. ToF-SIMS imaging, alongside K-means clustering and Ripley’s K function, revealed a nonuniform CSC distribution with higher concentrations at the top layer of the scaffold. This study demonstrates that CSC presentation at the fiber surface varies with depth and differs from bulk incorporation while reveals nanoscale clustering and spatial heterogeneity at both the surface and subsurface of electrospun gelatin fibers. These findings define an underexplored design consideration with potential to influence cell–scaffold interactions.

Animal derived food↗

DOE OSTI2023

Aligned Conjugated Polymer Nanofiber Networks in an Elastomer Matrix for High-Performance Printed Stretchable Electronics

Conjugated polymer films are promising in wearable X-ray detection. However, achieving optimal film microstructure possessing good electrical and detection performance under large deformation via scalable printing remains challenging. Herein, we report bar-coated high-performance stretchable films based on a conjugated polymer P(TDPP-Se) and elastomer SEBS blend by optimizing the solution-processing conditions. The moderate preaggregation in solution and prolonged growth dynamics from a solvent mixture with limited dissolving capacity is critical to forming aligned P(TDPP-Se) chains/crystalline nanofibers in the SEBS phase with enhanced π–π stacking for charge transport and stress dissipation. The film shows a large elongation at break of >400% and high mobilities of 5.29 cm 2 V –1 s –1 at 0% strain and 1.66 cm 2 V –1 s –1 over 500 stretch–release cycles at 50% strain, enabling good X-ray imaging with a high sensitivity of 1501.52 μC Gy air –1 cm –2 . Finally, our work provides a morphology control strategy toward high-performance conjugated polymer film-based stretchable electronics.

36 MATERIALS SCIENCE↗

DOE OSTI2024

High-Speed OH-PLIF Diagnostics of Flame Flashback in Low Swirl Hydrogen-Enriched Flames

This paper reports flashback events observed in hydrogen-enriched flames stabilized in a low swirl burner (LSB) at atmospheric pressure and temperature conditions. The fundamentals of hydrogen-rich stable flames and spatiotemporal investigation of flashback phenomena were observed experimentally using a high-repetition-rate nanosecond (ns)-duration hydroxyl radical planar laser-induced fluorescence (OH-PLIF) diagnostic. Testing was conducted in an optically accessible pre-mixing section of a LSB with inlet pre-mixing velocities ranging from 5 to 10 m/s for methane and hydrogen (50 – 90% by mole) blends. Swirlers with two different turning angles, 26o and 33o, and three different perforated plate hole diameters, 1.08, 1.12 and 1.16 mm, with measured swirl numbers varying from 0.43 to 0.49 were used in this study at atmospheric temperature and pressure inlet conditions. The flashback propensity showed a dependence on the proximity of the lifted flame to the burner exit (termed as lift-off length, L) which was dependent on the pre-mixer velocity (V), hydrogen content (XH2) and equivalence ratio (ϕ) at constant temperature and pressure conditions. High-speed OH-PLIF images revealed lifted flames were first observed at low ϕ/ XH2 condition which then changed to a M-shaped flame attached to burner rim with the increase in ϕ/ XH2. Further increases in ϕ/XH2, depending upon other inlet parameters, triggered flame flashback into the pre-mixing section. Flashback occurred when burning began in the outer shear layer and the leading flame brush propagated into the nozzle. Such spatiotemporally resolved high-speed OH-PLIF imaging provides insights on different stages of flashback in a LSB – flashback initiation, transition of flame propagation from burner exit to the swirler and flashback to flame holding transition. Flame ϕ at flashback showed an expected linearly increasing trend with increasing V and decreasing XH2 and the conclusions drawn aligned well with detailed investigations. For identical inlet conditions, flashback propensity decreased with increasing perforated-plate hole diameter and increasing swirler vane angle.

Parajuli, Pradeep↗

DOE OSTI2022

Ducted fuel injection with Low-Net-Carbon fuels as a solution for meeting future emissions regulations

Several studies have proven how ducted fuel injection (DFI) reduces soot emissions for compression-ignition engines. Nevertheless, no comprehensive study has investigated how DFI performs over a load range in combination with low-net-carbon fuels. In this study, optical-engine experiments were performed with four different fuels—conventional diesel and three low-net-carbon fuels—at low and moderate load, to measure emissions levels and performance. The 1.7-liter single-cylinder optical engine was equipped with a high-speed camera to capture natural luminosity images of the combustion event. Conventional diesel and DFI combustion were investigated at four different dilution levels (to simulate exhaust-gas recirculation effects), from 14 to 21 mol% oxygen in the intake. At a given dilution level, with commercial diesel fuel, DFI reduced soot by 82% at medium load, and 75% at low load without increasing NO x . The results further show how DFI with dilution reduces soot and NO x without compromising engine performance or other emission types, especially when combined with low-net-carbon fuels. DFI with the oxygenated low-net-carbon blend HEA67 simultaneously reduced soot and NO x by as much as 93 % and 82 %, respectively, relative to conventional diesel combustion with commercial diesel fuel. These soot and NO x reductions occurred while lifecycle CO 2 was reduced by at least 70 % when using low-net-carbon fuels instead of conventional diesel. All emissions changes were compared with future emissions regulations for different vehicle sectors to investigate how DFI can be used to facilitate achievement of the regulations. Finally, the results show how the DFI cases fall below several future emissions regulation levels, rendering less need for aftertreatment systems and giving a possible lower cost of ownership.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

OPERATION OF FT4000® SINGLE NOZZLE COMBUSTOR WITH HIGH HYDROGEN

This paper reports initial results from an effort to develop a retrofittable fuel/air injector for the FT4000® aeroderivative gas turbine that enables use of hydrogen as a carbon-free fuel for efficient power generation. The FT4000 engine’s low-NOx combustor was developed by Pratt & Whitney and RTX Technology Research Center with core technology from the Pratt & Whitney PW4000 turbofan aircraft engine. The work reported here advances the technology readiness level of the FT4000 combustor for operation with hydrogen, starting with an experimental assessment of the current production hardware with increasing hydrogen content mixed with natural gas. High-pressure single-sector combustor rig tests have been completed, demonstrating the ability for the dual fuel nozzle to operate an FT4000 combustor on 100% hydrogen with low nitrogen oxide (NOx) missions. Metal temperature measurements and video images of the flame structure from zero to 100% hydrogen highlight opportunities to improve the fuel nozzle robustness for high hydrogen conditions. The current FT4000 production engine operates on either natural gas or No. 2 fuel oil with water injection to achieve high thermal efficiency and low emissions. This engine is fielded by Mitsubishi Power Aero and delivers 70 MW of power with a simple-cycle efficiency of over 41% when operating with wet compression. Results from this study have cleared the current production FT4000 engines with dual fuel nozzles to operate at baseload power on blends of hydrogen mixed with natural gas and water.

power generation↗

DOE OSTI2026

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration With Methane–Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible premixing tube allowing the optical diagnostics. The testing was conducted for varied premixer velocities (V) and equivalence ratio (ϕ) for 90–100% (H 2 , by mole) H 2 /CH 4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior, where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A large eddy simulation (LES) with detailed chemistry combustion modeling approach was implemented along with an OH* submechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

chemiluminescence diagnostic↗

DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A large eddy simulation (LES) with detailed chemistry combustion modeling approach was implemented along with an OH* sub-mechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

chemiluminescence diagnostic↗

DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to the lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A Large Eddy Simulation (LES) with detailed chemistry combustion modeling approach was implemented along an OH* sub-mechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

flame holding↗

DOE OSTI2021

Multitude Characterization and Prediction of DOE Advanced Biofuels Properties

Advanced multitude of experiments ranging from the liquid fuel to combustion are conducted on Co-OPTIMA fuels to aid the characterization of the fuels. The series of targeted experiments characterized Co-OPTIMA fuel spray atomization, flame topology, flame speed, autoignition, volatility, viscosity, soot/coking, and compatibility. The fuels are selected and prioritized based on input from national lab members. The research characterized and predicted biomass-based, low greenhouse gas fuels and blends combustion, autoignition, and physical properties of mixtures of identified compounds at engine-relevant conditions, in particular those properties that blend non-linearly. The main challenge of Co-OPTIMA is the evaluation of a variety of biofuels and blends in all the reaction conditions that might be encountered in new high-efficiency engines. Despite the improved high-throughput experimental techniques, it seems unlikely that all of the performance metrics could be measured for all relevant petroleum derived, bio-derived molecules and mixtures, and reaction conditions. A series of targeted experiments ranging from the liquid fuel to the combustion process is required, and to extract the maximum information from each experiment. These targeted experiments evaluated how a specific fuel will perform in an engine. The series of targeted experiments are as follows: (a) Spray Atomization, Vaporization and Droplet Formation (b) Combustion Flame and Local Fuel/Air Image-Based Measurements (c) Laminar Flame Speed Measurements (d) Autoignition and Soot Measurements (e) Synchrotron Coupled Fundamental Autoignition Experiments (f) Fuel Coking and Hot Surface Deposit g) Fuel Volatility Measurements (h) Viscosity Measurements (i) Seal Flexible Fuel Compatibility These experimental processes provide an essential pathway for the prediction of fuel behaviors in engines and systematic process for fuel down select.

09 BIOMASS FUELS↗

DOE OSTI2023

Emissions and Flame Structure Assessment of Aeroengine Micromixing Injectors for Lean Direct Injection of Hydrogen and Hydrogen/Natural Gas Blends

Abstract The present study focuses on whether adapting low emissions liquid fuel injection concepts can be applied to gaseous mixtures. The goal is to develop an injector with specific geometric characteristics that will achieve the lowest emissions. This is conducted by evaluating emissions and flame diagnostics on a set of test hardware that has been developed for combustion of pure hydrogen and hydrogen/methane mixtures. The current test hardware adapts lean direct injection concepts from aeroengine injectors to a ground-based engine based on target flows associated with a Solar Turbines Industrial Engine gas turbine. A statistical test plan was developed to assess these geometric characteristics using a three level Box Behnken design. The test plan investigates the effect of injector flow splits, air swirl, fuel swirl, pressure drop, preheat temperature, fuel composition, and the adiabatic flame temperature on the flame structure and emissions performance. A total of 16 injectors were considered for a total of 688 test points for emission and imaging data. Emissions data were reported on a mass basis in ng/J and chemical reactor network analysis were conducted to further interpret emissions behavior. Images were also captured to analyze the flame structure features of interest including reaction volume, flame length, flame spread, and flame width. With these results, a predictive model for emissions was made to conclude the most optimal injector configuration is to have the highest level of air split (more volume of air through the injector plate versus the injector) and air swirl angle for both methane and hydrogen gas mixtures. The predictive emissions level for all of these cases were below 10 ng/J.

08 HYDROGEN↗

DOE OSTI2021

Internal insulation and corrosion control of molten chloride thermal energy storage tanks

A chloride-based molten-salt system that uses a ternary blend of MgCl 2 /KCl/NaCl is investigated to provide higher-temperature thermal energy storage capability than conventional nitrate salt-based systems. Despite their high thermal stability and operating temperature, molten chlorides present several challenges, including the design of internal liners to prevent the corrosion and thermal stress of alloy tank shells. This work discusses issues and potential solutions related to containment of molten chloride salt, specifically the optimization of the hot face refractory materials for use as internal liners. Furthermore, three down-selected refractory materials were analyzed with respect to permeation of salt through the material as well as chemical stability during high temperature operation. Through the application of X-ray imaging and electron spectroscopy techniques, highly stable secondary surface phases in equilibrium with the molten salt were identified, as well as time-dependent changes in the salt composition itself.

25 ENERGY STORAGE↗

DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-In-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence (CL) diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashbacks were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower flux ratio which bends the jet sharply, closer toward the injection plane. The flashback was found to occur along the boundary layer, assisted by the inner wall of the pre-mixer tube. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port.

flame holding↗

DOE OSTI2022

Galaxy morphologies revealed with Subaru HSC and super-resolution techniques. I. Major merger fractions of L UV ∼ 3–15 L*UV dropout galaxies at z ∼ 4–7

Abstract We perform a super-resolution analysis of the Subaru Hyper Suprime-Cam (HSC) images to estimate the major merger fractions of z ∼ 4–7 dropout galaxies at the bright end of galaxy UV luminosity functions (LFs). Our super-resolution technique improves the spatial resolution of the ground-based HSC images, from ∼1″ to $\lesssim \!\!{0{^{\prime \prime }_{.}}1}$, which is comparable to that of the Hubble Space Telescope, allowing us to identify z ∼ 4–7 bright major mergers at a high completeness value of $\gtrsim \!\!90\%$. We apply the super-resolution technique to 6412, 16, 94, and 13 very bright dropout galaxies at z ∼ 4, 5, 6, and 7, respectively, in a UV luminosity range of LUV ∼ 3–$15\, L_{\rm UV}^*$ corresponding to −24 ≲ MUV ≲ −22. The major merger fractions are estimated to be $f_{\rm merger}\sim 10\%$–$20\%$ at z ∼ 4 and $\sim 50\%$–$70\%$ at z ∼ 5–7, which shows no fmerger difference compared to those of a control faint galaxy sample. Based on the fmerger estimates, we verify contributions of source blending effects and major mergers to the bright-end of double power-law (DPL) shape of z ∼ 4–7 galaxy UV LFs. While these two effects partly explain the DPL shape at LUV ∼ 3–$10\, L_{\rm UV}^*$, the DPL shape cannot be explained at the very bright end of $L_{\rm UV}\gtrsim 10\, L_{\rm UV}^*$, even after the AGN contribution is subtracted. The results support scenarios in which other additional mechanisms such as insignificant mass quenching and low dust obscuration contribute to the DPL shape of galaxy UV LFs.

Shibuya, Takatoshi↗

DOE OSTI2025

System Engineers and Decisions: It?s All about Knowledge

In order to guarantee that a system meets adequate levels of reliability and availability, system performances are continuously monitored and analyzed thanks to the technological advancements driving the Industry 4.0 revolution. An Industry 4.0 approach is typically based on advanced statistical, big data mining, machine learning, and internet-of-things methods designed to detect anomalies in the behavior of system, detect the most likely failure modes, and provide indications to system engineers on when maintenance activities should be performed before system performance are deemed unacceptable (which can be generated by diagnostic and prognostic methods). However, these analyses, which are designed to automatize and increase the efficacy of the system maintenance program, require large amount of data which can come in various forms: numeric, textual, images, sounds etc. Such data constitutes the historic knowledge benchmark to track system performances and support system engineer decisions. Here we claim that data is not sufficient to support this kind of analyses when applied to systems characterized by complex architectures and behaviors. Robust system engineer decisions require the ability to understand the system operational context that lies behind the observed data elements. In this respect, system models are in fact necessary to “put data in context” and capture relationships between data elements. Industry 4.0 methods require in fact contextual knowledge as a basis upon which hypotheses can be generated and assumptions tested. In our view, for complex systems, model-based system engineering (MBSE) models can afford this contextual knowledge, as they are typically used to describe systems architecture and dynamic behaviors. System knowledge is here intended as the blending of collected data and system architecture which takes the form of a “knowledge graph”. A knowledge graph is a database which consists of a large set of nodes (in our case an entity can be either a data or an MBSE element) which are linked to each other. The types of nodes and links follow a pre-defined topology, sometimes also refers as an ontology, that is designed to fit the actual decisions that needs to be performed. We show here how a knowledge graph can be defined to support system engineer maintenance decisions and how the same graph can be built based on system MBSE models and pre-processed data from numeric (through anomaly detections and diagnostic methods) and textual elements (through technical language processing TLP).

97 - MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Resonant Soft X-ray Scattering Reveals Hierarchical Structure in a Multicomponent Vapor-Deposited Glass

Multiphase vapor-deposited glasses are an important class of materials for organic electronics, particularly organic photovoltaics and thermoelectrics. These blends are frequently regarded as molecular alloys and there have been few studies of their structure at nanometer scales. Here, in this work, we show that a codeposited system of TPD (N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine) and DO37 (disperse orange 37), two small molecule glass-formers, separates into amorphous, compositionally distinct phases with a domain size and spacing ca. 10s of nanometers that depends on substrate temperature during deposition. Domains rich in one of the two components become larger and more pure at higher deposition temperatures. We use resonant soft X-ray scattering (RSoXS) complemented with atomic force microscopy (AFM) and photoinduced force microscopy to measure the phase separation, topography, and purity of the deposited films. A forward-simulation approach to RSoXS analysis, the National Institute of Standards and Technology RSoXS Simulation Suite (NIST RSoXS simulation suite), is used with models developed from AFM images to evaluate the energy dependence of scattering across multiple length scales and interpret the RSoXS with respect to structure within the films. We find that the RSoXS is sensitive to a length scale of phase separation buried within the film that is consistent with the surface composition profile, and correlates to the topography to an extent that depends on substrate temperature. We demonstrate that vacuum scattering, which is often ignored in RSoXS analysis, contributes significantly to the features and energy dependence of the RSoXS pattern, and then illustrate how to properly account for vacuum scattering to analyze films with significant roughness. We then use this analysis framework to understand structure development mechanisms that occur during vapor deposition of a TPD-DO37 codeposited glass with results that outline paths to tune morphology in multicomponent materials.

36 MATERIALS SCIENCE↗