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At least 1,081 records · Page 60

Carbon Nanotubes for Human Space Flight

Single-wall carbon nanotubes offer the promise of a new class of revolutionary materials for space applications. The Carbon Nanotube Project at NASA Johnson Space Center has been actively researching this new technology by investigating nanotube production methods (arc, laser, and HiPCO) and gaining a comprehensive understanding of raw and purified material using a wide range of characterization techniques. After production and purification, single wall carbon nanotubes are processed into composites for the enhancement of mechanical, electrical, and thermal properties. This "cradle-to-grave" approach to nanotube composites has given our team unique insights into the impact of post-production processing and dispersion on the resulting material properties. We are applying our experience and lessons-learned to developing new approaches toward nanotube material characterization, structural composite fabrication, and are also making advances in developing thermal management materials and electrically conductive materials in various polymer-nanotube systems. Some initial work has also been conducted with the goal of using carbon nanotubes in the creation of new ceramic materials for high temperature applications in thermal protection systems. Human space flight applications such as advanced life support and fuel cell technologies are also being investigated. This discussion will focus on the variety of applications under investigation.

Scott, Carl D.↗

Time-Domain Terahertz Computed Axial Tomography NDE System

NASA has identified the need for advanced non-destructive evaluation (NDE) methods to characterize aging and durability in aircraft materials to improve the safety of the nation's airline fleet. 3D THz tomography can play a major role in detection and characterization of flaws and degradation in aircraft materials, including Kevlar-based composites and Kevlar and Zylon fabric covers for soft-shell fan containment where aging and durability issues are critical. A prototype computed tomography (CT) time-domain (TD) THz imaging system has been used to generate 3D images of several test objects including a TUFI tile (a thermal protection system tile used on the Space Shuttle and possibly the Orion or similar capsules). This TUFI tile had simulated impact damage that was located and the depth of damage determined. The CT motion control gan try was designed and constructed, and then integrated with a T-Ray 4000 control unit and motion controller to create a complete CT TD-THz imaging system prototype. A data collection software script was developed that takes multiple z-axis slices in sequence and saves the data for batch processing. The data collection software was integrated with the ability to batch process the slice data with the CT TD-THz image reconstruction software. The time required to take a single CT slice was decreased from six minutes to approximately one minute by replacing the 320 ps, 100-Hz waveform acquisition system with an 80 ps, 1,000-Hz waveform acquisition system. The TD-THZ computed tomography system was built from pre-existing commercial off-the-shelf subsystems. A CT motion control gantry was constructed from COTS components that can handle larger samples. The motion control gantry allows inspection of sample sizes of up to approximately one cubic foot (.0.03 cubic meters). The system reduced to practice a CT-TDTHz system incorporating a COTS 80- ps/l-kHz waveform scanner. The incorporation of this scanner in the system allows acquisition of 3D slice data with better signal-to-noise using a COTS scanner rather than the gchirped h scanner. The system also reduced to practice a prototype for commercial CT systems for insulating materials where safety concerns cannot accommodate x-ray. A software script was written to automate the COTS software to collect and process TD-THz CT data.

Zimdars, David↗

Quantitative NDE of Composite Structures at NASA

The use of composite materials continues to increase in the aerospace community due to the potential benefits of reduced weight, increased strength, and manufacturability. Ongoing work at NASA involves the use of the large-scale composite structures for spacecraft (payload shrouds, cryotanks, crew modules, etc). NASA is also working to enable the use and certification of composites in aircraft structures through the Advanced Composites Project (ACP). The rapid, in situ characterization of a wide range of the composite materials and structures has become a critical concern for the industry. In many applications it is necessary to monitor changes in these materials over a long time. The quantitative characterization of composite defects such as fiber waviness, reduced bond strength, delamination damage, and microcracking are of particular interest. The research approaches of NASA's Nondestructive Evaluation Sciences Branch include investigation of conventional, guided wave, and phase sensitive ultrasonic methods, infrared thermography and x-ray computed tomography techniques. The use of simulation tools for optimizing and developing these methods is also an active area of research. This paper will focus on current research activities related to large area NDE for rapidly characterizing aerospace composites.

Cramer, K. Elliott↗

Prediction Skill of the MJO Teleconnection Signals in the NASA GEOS Subseasonal Reforecasts

Tropical-extratropical teleconnections are considered key to advancing subseasonal prediction. The Madden Julian oscillation (MJO), characterized by large scale convective envelopes propagating along the tropical Indo-Pacific sector, is known to modulate midlatitude circulation and associated weather patterns. Although there is a general consensus on the MJO's influence on the midlatitude circulation, which is thought to be due to modulations of the North Atlantic Oscillation (NAO) and the Pacific North America (PNA) pattern, relatively less is known about the predictability of these teleconnection signals in dynamical forecast models. The composite evolution of the midlatitude circulation anomalies and associated wave train structure as the delayed response to tropical heating are reported in many studies that have examined reanalyses and long model simulations. However, it is yet to be determined whether they lend any beneficial subseasonal forecast skill, especially to weekly mean surface temperature and precipitation over North America. Investigating useful predictable signals from the MJO teleconnections is also complicated by the fact that the MJO is a moving heat source with an approximate periodicity of 30-60 days, and that the structure and amplitude of the midlatitude response can be sensitive to the longitudinal positioning of the heating anomaly as well as the propagation speed of the MJO. The objective of this study is to investigate the impact of MJO teleconnections on forecast accuracy at 2-3 week lead over North America, with an emphasis on the above-mentioned lesser known aspects of these teleconnections. To this end, we utilize a suite of subseasonal reforecasts performed with the latest NASA GEOS-5 seasonal-to-subseasonal (S2S) system. These reforecasts were performed as part of the NOAA SubX project, wherein the NASA GEOS-5 atmosphere-ocean coupled model was run at degree horizontal resolution, initialized every 5 days for the period 1999-2016. The GEOS-5 model shows skillful predictions of the MJO, with the correlation coefficient based on the real-time multivariate MJO (RMM) index staying at or above 0.5 up to forecast lead 26-36 days. The system is thus a useful tool for investigating MJO teleconnection processes.

Achuthavarier, Deepthi↗

Application Table: A Bridge Connecting the Designing “With-The-Material” and “The-Material” Paradigms

Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of “fit-for-purpose” materials, components, and systems. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.

Materials↗

Application Table: A Bridge Connecting the Designing “With-the-Material” and “the-Material”

Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of “fit-for-purpose” materials, components, and systems. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.

Materials↗

Untangling the heavy-flavor mess: status of the Fermilab-MILC calculation of the $B_{(s)}\to D^{(\ast)}_{(s)}\ellν$ form factors

We present the status of calculations of the form factors of the most relevant heavy-to-heavy and heavy-to-light decay channels. Using seven $N_f = 2+1+1$ HISQ ensembles, with lattice spacings ranging from 0.15 fm down to 0.06 fm, we calculate the form factors of the decays, including correlations among them. More than half of our ensembles feature physical pion masses, and the heavy quarks are simulated at their physical masses using the Wilson-clover action with the Fermilab interpretation. Even though we have recently seen huge qualitative and quantitative leaps in the characterization of heavy-to-heavy decays, these advances have failed to translate into improvements for the inclusive vs exclusive question, or the matter of the Lepton Flavor Universality ratios. In particular, in the $B\to D^{\ast}\ellν$ channel, the current situation of the lattice-QCD form factors is far from clear. Further, the latest lattice-QCD results on the heavy-to-light form factors display unexplained tensions that must urgently be resolved. The work presented here is an attempt to address these issues.

Vaquero, Alejandro [Zaragoza U.]↗

Integrated analysis and applications

A select overview is provided of ongoing research focusing on the development and verification of integrated structural analysis and optimal design capabilities for advanced aerospace propulsion and power systems. Subjects discussed include the following: (1) Composites - analytical models (composite mechanics), integrated computational methods, and characterization of composite structural response and durability for resin-, metal-, and ceramic-matrix systems; (2) Advanced inelastic analysis - algorithm/numerical methods for more accurate and efficient analysis; (3) Constitutive modeling - theoretical formulation and characterization of thermoviscoplastic material behavior; (4) Computational simulation - engine structures from components to assembly, and up to an entire engine system subjected to simulated test-stand and mission load histories; (5) Probabilistic structural analysis - quantification of the effects of uncertainty in geometry, material, loads, and boundary conditions on structural response for true reliability assessment; and (6) Interdisciplinary optimization - incorporation of mathematical optimization and multidisciplinary analyses to provide streamlined, autonomous optimal design systems.

Hopkins, Dale A.↗

TEM Characterization of Neutron Irradiated HfAl3-Al Composite Specimens

Particles comprised of a thermal neutron absorbing material (HfAl3) are dispersed in a metal matrix material with high thermal conductivity (aluminum) to conduct the heat generated by neutron capture away from the fuel and materials. This metal matrix composite is very promising for use as a conduction-cooled neutron absorber and has the potential to be useful as a shroud or heat sink for testing advanced fast reactor fuels and materials in an existing thermal reactor. To design and optimize the absorber block system for advanced reactor designs, fundamental understanding of the irradiation effect on material properties is necessary. This dataset contains TEM characterization results of neutron irradiated HfAl3-Al composite specimens. It is focused on the irradiation induced defects (dislocation lines and loops) characterization using the on-zone axis bright field STEM technique. This data was collected using a FEI Tecnai G2 F30 S/TEM at the Microscopy and Characterization Suite (MaCS), Center for Advanced Energy Studies (CAES).

Guillen, Donna↗

TEM Characterization of Neutron Irradiated HfAl3-Al Composite Specimens

Particles comprised of a thermal neutron absorbing material (HfAl3) are dispersed in a metal matrix material with high thermal conductivity (aluminum) to conduct the heat generated by neutron capture away from the fuel and materials. This metal matrix composite is very promising for use as a conduction-cooled neutron absorber and has the potential to be useful as a shroud or heat sink for testing advanced fast reactor fuels and materials in an existing thermal reactor. To design and optimize the absorber block system for advanced reactor designs, fundamental understanding of the irradiation effect on material properties is necessary. This dataset contains TEM characterization results of neutron irradiated HfAl3-Al composite specimens. It is focused on the irradiation induced defects (dislocation lines and loops) characterization using the on-zone axis bright field STEM technique. This data was collected using a FEI Tecnai G2 F30 S/TEM at the Microscopy and Characterization Suite (MaCS), Center for Advanced Energy Studies (CAES).

Guillen, Donna↗

Cold Testing for Characterization of Oxide Feed Impurities in Support of the ARIES Program

The Advanced Recovery and Integrated Extraction System (ARIES) Program converts surplus plutonium metal components into an oxide powder form and packages the material for final disposition. In support of the ARIES program, over a metric ton (MT) of plutonium has been removed from surplus nuclear weapons since 1998 and packaged for long-term storage in 3013 cans. The oxide production rate is anticipated to increase substantially over the next decade in support of dilute and dispose goals. Analytical chemistry data from destructive analysis of the resulting 70+ blend lots to date has been reported for contaminants in the product oxide. Changes in the Pu product specification for Pu oxide product, induced by a different pit mix, the LANL swap program and processing Alternate (non-Pit Pu) Feed Stock (AFS) metals, will affect the level and the mix of these contaminants in the upcoming years. With these changes in feed material, it will be important to provide fast and efficient measurement of elemental impurities in the oxide to be certain that the process is under control and to monitor the anticipated changes from the historical blend lot data. Non-destructive methods need to be evaluated for the characterization of the plutonium oxide product and the quantification of the impurities at the current and anticipated levels. A feasibility study has begun to investigate the applicability of new spectroscopic methods for oxide impurity characterization. To this end, here we describe the preparation of surrogate materials to support these investigations, and the results of a feasibility study investigating the use of LIBS (Laser Induced Breakdown Spectroscopy) to characterize the surrogate materials as calibration standards.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Machine Learning Assisted Safety Modeling and Analysis of Advanced Reactors

With the advances in computational power and numerical methods, analysts can now rely on first-principle simulations to predict ultra-fine details in a variety of applications. Advances in machine learning (ML) have produced algorithms that can now learn high-level abstractions via hierarchical models. This project aims to leverage advances in ML techniques and the available high-resolution simulation data to develop a novel modeling and simulation (M\&S) methodology for reactor safety analysis. While application-agnostic ML techniques are available, complex physics constraints need to be incorporated into ML techniques to build ML-based closures for computationally efficient predictive simulations. This project intends to develop a physics-guided data-driven multi-scale methodology for M\&S of advanced reactors. The project focuses on thermal fluid (T/F) phenomena, which play major roles in advanced reactor safety. Specifically, we propose a data-driven coarse-mesh turbulence model based on local flow features for the transient analysis of thermal mixing and stratification in a sodium-cooled fast reactor (SFR). The model has a coarse-mesh setup to ensure computational efficiency, while it is trained by fine-mesh computational fluid dynamics (CFD) data with Reynolds-averaged Navier-Stokes (RANS) turbulence model to ensure accuracy. Three different neural networks are developed and tested for loss-of-flow transients in the hot pool of SFR, i.e. the densely connected convolutional neural network (DCNN), long-short-term-memory network based on proper orthogonal decomposition (POD-LSTM), and the DCNN informed by LSTM (DCNN-LSTM). The performances of these three neural networks are evaluated based on baseline models. The DCNN-LSTM model has been chosen for further hyperparameter optimization. Furthermore, based on a simplified two-dimensional case, uncertainty quantification (UQ) of the developed ML-based closure are investigated with three methods, i.e. Monte Carlo dropout, deep ensemble, and Bayesian neural network. The developed ML-based turbulent viscosity closure relation based on deep ensemble is then integrated into the system analysis module SAM and serves as a term in the conservation equations. Such a SAM-ML based procedure guarantees that the obtained results are consistent with the physical constraints of the thermal-fluid system. The SAM-ML simulation on the same loss-of-flow transient showed comparable accuracy with the CFD simulation but with a much coarser mesh setup. Last but not least, the ML-based closure improvement with the support of higher-fidelity data from large eddy simulation (LES) is discussed. As a first step towards this direction, a baseline LES simulation is performed to obtain comparable data with RANS results. Based on the early results, future investigation on further improving the ML-based closure is discussed. We believe the developed approach that combines scientific machine learning with nuclear system analysis code can benefit the advanced reactor community as more accurate safety analyses will better characterize reactor safety margins and reduce licensing efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ROADRUNNER uranium nitride MiniFuel: Experimental design, fabrication and pre-irradiation baseline characterization for accelerated burnup testing

Uranium nitride (UN) is a promising fuel candidate for advanced reactor systems owing to its high uranium density and thermal conductivity; however, its qualification remains constrained by the scarcity of well-controlled irradiation performance data. Here, to address this limitation, the ROADRUNNER (Research On ADvancing the peRformance of UraNium Nitrides in Extreme enviRonments) campaign employs the MiniFuel platform in the High Flux Isotope Reactor (HFIR) to enable accelerated burnup irradiation testing under tightly controlled and largely isothermal conditions. This paper presents the experimental design, fuel fabrication, and pre-irradiation baseline characterization of the ROADRUNNER UN MiniFuel campaign. Thirty-six UN minidisc specimens were fabricated with systematically varied as-fabricated density (86–96% of theoretical density), carbon impurity content (961–5240 ppm), oxygen content (≤ ∼2000 ppm), and grain size (2.5–24 μm). The irradiation matrix spans nominal fuel temperatures of 873 K, 1173 K, and 1473 K and target burnups of 3.75%, 6.0%, and 7.5% fissions per initial metal atom (FIMA). Neutronic and thermal analyses were performed to define specimen-specific burnup accumulation and temperature histories, establishing the boundary conditions for subsequent in-pile behavior. Comprehensive pre-irradiation characterization—including dimensional metrology, density verification, impurity analysis, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, X-ray computed tomography, and confocal profilometry—provides a detailed baseline for post-irradiation examination. Pre-irradiation data were further used to generate predictive estimates of fission gas release and swelling using existing empirical correlations. This quantitative comparison reveals substantial inter-model divergence at intermediate and elevated temperatures that exceeds propagated input uncertainties, highlighting structural gaps in the historical irradiation database. The ROADRUNNER irradiation campaign is currently underway in HFIR, with initial firs cycle completed in late 2025 and remaining targets scheduled through 2027. The experimental design and baseline dataset presented here establish the framework needed to interpret forthcoming post-irradiation measurements and to provide discriminating data for the validation and refinement of physics-based UN fuel performance models.

Lopes, Denise Adorno [Oak Ridge National Laborator↗

Quantitative Characterization of 3D Woven Composites Via Fourier Analysis and Structure Tensors Applied to CT Scans

NASA's development of advanced 3D woven carbon composites, such as HEEET and 3MDCP, represents a significant leap in materials designed to endure extreme atmospheric entry conditions. However, the internal complexity of these materials introduces a variety of structures and novel defect types. Traditional characterization methods rely on labor-intensive, manual examination of X-ray CT scans, demanding considerable time and expertise. This process, while thorough, is not sustainable for large-scale analysis and defect tracking. Addressing this critical challenge, this presentation introduces an innovative suite of automated tools and analytical techniques, pioneered by the Mars Sample Return (MSR) Earth Entry System (EES) Thermal Protection System (TPS) project. These advancements offer a more efficient and accurate approach for quantifying CT data and characterizing the defects of 3D woven composites.

3D Woven↗

Heliostat Consortium: Gap Analysis on Wind Load for Achieving a Fully Competitive Heliostat Industry

The Heliostat Consortium (HelioCon) Wind Load Subtask was initiated with the aim of bringing research work pertaining to wind load measurement, characterization, and prediction taking place across several tasks, including Advanced Manufacturing, Components and Controls, and Field Deployment. The cross-cutting wind load subtopic in the HelioCon roadmap report [1] highlighted standardized methods and tools that are needed for a more detailed understanding of the static and dynamic loads on a heliostat. This will enable cost reduction of wind-dependent heliostat components to avoid unnecessarily conservative, overly constrained designs and increase field efficiency/reliability, to reduce the risk of component failures due to high-wind events (>15 m/s). Gaps related to heliostat wind load include site characterization for wind measurements, critical load cases for heliostat design, turbulence impacts on heliostat tracking error, testing of heliostat array configurations, understanding spatial variation of maximum loads across the solar field, and heliostat field layout and operating strategies. The recommended highest-priority pathway as first steps taken by HelioCon to address these gaps are to develop site characterization guidelines for heliostat design and field load measurements.

Emes, Matthew (ORCID:0000000341474387)↗

Correlation of airloads on a two-bladed helicopter rotor

Airloads measured on a two-bladed helicopter rotor in flight during the Ames' Tip Aerodynamic and Acoustic Test are compared with calculations from a comprehensive helicopter analysis (CAMRAD/JA), and the pressures compared with calculations from a full-potential rotor code (FPR). The flight-test results cover an advance ratio range of 0.19 to 0.38. The lowest-speed case is characterized by the presence of significant blade-vortex interactions. Good correlation of peak-to-peak vortex-induced loads and the corresponding pressures is obtained. Results of the correlation for this two-bladed rotor are substantially similar to those for three- and four-bladed rotors, including the tip-vortex core size for best correlation, calculation of the peak-to-peak loads on the retreating side, and calculation of vortex iduced loads on inboard radial stations. The higher-speed cases are characterized by the presence of transonic flow on the outboard sections of the blade. Comparison of calculated and measured airloads on the advancing side is not considered appropriate because the presence of shocks makes chordwise integration of the measured data difficult. However, good correlation of the corresponding pressures is obtained.

Fernandez, Francisco J.↗

Automated Global-Scale Detection and Characterization of Anthropogenic Activity using Multi-Source Satellite-Based Remote Sensing Imagery

Satellite-based remote sensing imagery is an effective means for detecting objects and structures in support of many applications. However, detecting the spatial and temporal bounds of a specific activity in satellite imagery is inherently more complex and research in this area is nascent. One reason for this is that describing an activity implies defining both spatial and temporal bounds and while activity is inherently continuous in nature, the geospatial (imagery) time series for any particular swath of ground provided by satellite imagery is relatively sparse and discrete in comparison. The IARPA Space-Based Machine Automated Recognition Technique (SMART)1 program is the first large-scale research program to target advancing the state of the art for automatically detecting, characterizing, and monitoring large-scale anthropogenic activity in global, multispectral satellite imagery. The program has two primary research objectives: 1) the “harmonization” of multiple imagery sources and 2) automated reasoning at scale to detect, characterize, and monitor activities of interest. This paper provides details on the goals, dataset, metrics, and lessons learned of the IARPA SMART program. By releasing the annotated dataset, the program aims to foster additional research in this area by the community at large.

Hirsh R Goldberg↗

Optimizing microfluidic flow cell geometry for in situ resonant soft X-ray characterization of molecular nanostructures

Liquid-phase resonant soft X-ray scattering (LP-RSoXS) is an emerging label-free technique to probe chemically resolved nanostructures of molecular or hybrid materials in liquid environments. Still, quantitative analysis is hindered by the pressure-induced deformation of thin silicon nitride (SiN) membranes used as windows in microfluidic flow cells, which attenuates the signal in nonlinear ways, making experimental optimization difficult. Here, in this work, we directly characterize this deformation under experimental conditions for a variety of cell configurations. We use this to develop a predictive model that combines transmission effects of SiN bowing, incident X-ray beam profiles, and material-dependent resonant scattering cross sections to simulate the effective scattering intensity at the detector across the carbon K-edge. Maps of the total signal across the flow cell window reveal that increasing the window width and polymer concentration shifts the anisotropic intensity distributions from the center toward the edges of the window. It was determined that an optimal SiN thickness of 50 nm, with a window aperture of 104 μm, maximizes the total signal for typical solute concentrations and energies across the carbon K-edge. Our results overturn the assumption that corner regions dominate the scattering signal, offering explicit design guidelines for maximizing LP-RSoXS signals and significantly advancing the quantitative application of this technique to the characterization of molecular and hybrid nanostructured materials in liquids.

Grabner, Devin [Washington State Univ., Pullman, W↗