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At least 1,513 records · Page 84

Mach 10 Stage Separation Analysis for the X43-A

This paper describes the pre-flight stage separation analysis that was conducted in support of the final flight of the X-43A. In that flight, which occurred less than eight months after the successful Mach 7 flight, the X-43A Research Vehicle attained a peak speed of Mach 9.6. Details are provided on how the lessons learned from the Mach 7 flight affected separation modeling and how adjustments were made to account for the increased flight Mach number. Also, the procedure for defining the feedback loop closure and feed-forward parameters employed in the separation control logic are described, and their effect on separation performance is explained. In addition, the range and nominal values of these parameters, which were included in the Mission Data Load, are presented. Once updates were made, the nominal pre-flight trajectory and Monte Carlo statistical results were determined and stress tests were performed to ensure system robustness. During flight the vehicle performed within the uncertainty bounds predicted in the pre-flight analysis and ultimately set the world record for airbreathing powered flight.

Tartabini, Paul V.↗

Dark Energy Survey year 6 results: Magnification modeling and its impact on galaxy clustering and galaxy-galaxy lensing cosmology

Gravitational lensing magnification alters the observed spatial distribution of galaxies and must be accounted for to prevent biases in cosmological probes of the large-scale structure. We investigate its effects on the Dark Energy Survey Year 6 galaxy clustering and galaxy-galaxy lensing analyses using the fiducial lens (position tracer) sample M ag L im++. Magnification bias is parameterized by a coefficient that describes the response of the number of selected objects per unlensed area element to a change in the lensing convergence. We quantify this coefficient using the BALROG synthetic source injection catalog to account for the complexity of the selection function, and compare these results with simplified estimates. The resulting values of the magnification coefficients for each redshift bin are [3.16 ± 0.08, 2.76 ± 0.21, 4.09 ± 0.15, 4.42 ± 0.16, 4.90 ± 0.29, 4.83 ± 0.25]. Relative to Year 3, this analysis provides more precise and accurate magnification bias estimates through a larger BALROG area and reweighting to better match the data properties. Here, the cosmological results are robust when tested against various magnification parameter prior choices and also when adding cross-clustering between lens redshift bins. Neglecting magnification, however, introduces significant systematic shifts: relative to the fiducial analysis with Gaussian priors centered on the BALROG -derived estimates, we observe shifts of 1.37σ in S 8 and -0.84σ in Ω m (with cosmic shear included: -0.61σ in S 8 and -0.71σ in Ω m ), in agreement with findings from simulated data, demonstrating that magnification must be modeled to avoid biases. Freeing the magnification bias in lens bin 2 leads to unphysical negative values, further justifying its exclusion from the fiducial Year 6 analysis.

Cosmological parameters↗

mu analysis with real parametric uncertainty

The authors give a broad overview, from a LFT (linear fractional transformation)/mu perspective, of some of the theoretical and practical issues associated with robustness in the presence of real parametric uncertainty, with a focus on computation. Recent results on the properties of mu in the mixed case are reviewed, including issues of NP completeness, continuity, computation of bounds, the equivalence of mu and its bounds, and some direct comparisons with Kharitonov-type analysis methods. In addition, some advances in the computational aspects of the problem, including a novel branch and bound algorithm, are briefly presented together with numerical results. The results suggest that while the mixed mu problem may have inherently combinatoric worst-case behavior, practical algorithms with modest computational requirements can be developed for problems of medium size (less than 100 parameters) that are of engineering interest.

Young, Peter M.↗

Dynamic wake prediction and visualization with uncertainty analysis

A dynamic wake avoidance system utilizes aircraft and atmospheric parameters readily available in flight to model and predict airborne wake vortices in real time. A novel combination of algorithms allows for a relatively simple yet robust wake model to be constructed based on information extracted from a broadcast. The system predicts the location and movement of the wake based on the nominal wake model and correspondingly performs an uncertainty analysis on the wake model to determine a wake hazard zone (no fly zone), which comprises a plurality of wake planes, each moving independently from another. The system selectively adjusts dimensions of each wake plane to minimize spatial and temporal uncertainty, thereby ensuring that the actual wake is within the wake hazard zone. The predicted wake hazard zone is communicated in real time directly to a user via a realistic visual representation. In an example, the wake hazard zone is visualized on a 3-D flight deck display to enable a pilot to visualize or see a neighboring aircraft as well as its wake. The system substantially enhances the pilot's situational awareness and allows for a further safe decrease in spacing, which could alleviate airport and airspace congestion.

Holforty, Wendy L.↗

Buried Dirac Points in Quantum Spin Hall Insulators: Implications for Majorana Kramers Pair-Based Quantum Computing

Quantum spin Hall insulators (QSHIs) host helical electronic edge states that are protected from backscattering due to time-reversal symmetry (TRS). Despite considerable work investigating QSHI edge states, there is still an open question about their unexpected resilience to large magnetic fields where TRS is undoubtedly broken. In this work, we investigate the transport properties of helical edge states in a QSHI-superconductor (QSHI-SC) junction formed by a In⁢As(15 nm)/Ga⁢Sb(5 nm) double quantum well and a superconducting tantalum (Ta) constriction. We observe a robust conductance plateau up to 2 T, signaling resilient edge-state transport. Using a modified Landauer-Büttiker analysis, we find that the zero-field conductance is consistent with 98% Andreev-reflection probability owing to the high transparency of the (In⁢As/Ga⁢Sb)-Ta interface. Such resilience is consistent with the Dirac point for the edge states being buried in the bulk valence band. We further theoretically show that a buried Dirac point does not affect the robustness of the quasi-one-dimensional topological superconducting phase. We find that a buried Dirac point favors the hybridization of Majorana Kramers pairs (MKPs)—predicted to exist in a QSHI-SC constriction—and fermionic modes in the QSHI vacuum edge resulting in extended MKP states, highlighting the subtle role of buried Dirac points in probing MKPs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Design of a Flexible, Interoperable Navigation Signal for Future Lunar Missions

The LunaNet Interoperability Specification (LNIS) is a set of standards currently under development by NASA, ESA, and JAXA, which define a common, interoperable set of services and interfaces for lunar communication and navigation. The LNIS includes specifications for the GNSS-like Augmented Forward Signal (AFS). The LANS (Lunar Augmented Navigation Service) will be comprised of Multiple LunaNet Service Provider (LNSP) nodes broadcasting the AFS, such as NASA’s LCRNS (Lunar Communications Relay and Navigation Systems), ESA’s Moonlight LCNS (Lunar Communication and Navigation Services) and the Japan LNSS (Lunar Navigation Satellite System). The LANS will provide a GNSS-like capability enabling orbiting and surface users in lunar space (such as Artemis) to estimate their position, velocity and time as described in Giordano et al., (2023). Initial capabilities will focus on providing service to the lunar South pole region. The specification of AFS defines two orthogonal signal components on a single carrier, with the in-phase component (AFS-I) being a lower-chip-rate data channel tailored for applications where low SWaP is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q) being a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in the LNIS, (2023), and initial analysis results were shown in Dafesh, et al., (2024). In this work, we provide rationale for updates to the LNIS that define key aspects of the signal including the primary spreading code designs for the data and pilot channels, and a three-tiered overlay code approach for the pilot channel that provides flexible signal acquisition alternatives, rapid time dissemination and robust frame Sync. The paper also describes a robust data sync word that is designed to enable frame Sync. for low-SWaP receivers that only use the I channel, as well as a low-density parity check code (LDPC) data message encoding design and interleaving definition. The work further describes the impact of the updated AFS design in terms of improved acquisition performance, interference resistance, navigation message capabilities and rapid absolute time dissemination for users able to access clock and ephemeris data over an external network. The cross-correlation and synchronization performance of the AFS design is also compared to potential alternatives, further providing rationale for the final signal design configuration.

LANS↗

The Design of a Flexible, Interoperable Navigation Signal for Future Lunar Missions

The LunaNet Interoperability Specification (LNIS) is a set of standards currently under development by NASA, ESA, and JAXA, which define a common, interoperable set of services and interfaces for lunar communication and navigation. The LNIS includes specifications for the GNSS-like Augmented Forward Signal (AFS). The LANS (Lunar Augmented Navigation Service) will be comprised of Multiple LunaNet Service Provider (LNSP) nodes broadcasting the AFS, such as NASA’s LCRNS (Lunar Communications Relay and Navigation Systems), ESA’s Moonlight LCNS (Lunar Communication and Navigation Services) and the Japan LNSS (Lunar Navigation Satellite System). The LANS will provide a GNSS-like capability enabling orbiting and surface users in lunar space (such as Artemis) to estimate their position, velocity and time as described in Giordano et al., (2023). Initial capabilities will focus on providing service to the lunar South pole region. The specification of AFS defines two orthogonal signal components on a single carrier, with the in-phase component (AFS-I) being a lower-chip-rate data channel tailored for applications where low SWaP is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q) being a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in the LNIS, (2023), and initial analysis results were shown in Dafesh, et al., (2024). In this work, we provide rationale for updates to the LNIS that define key aspects of the signal including the primary spreading code designs for the data and pilot channels, and a three-tiered overlay code approach for the pilot channel that provides flexible signal acquisition alternatives, rapid time dissemination and robust frame Sync. The paper also describes a robust data sync word that is designed to enable frame Sync. for low-SWaP receivers that only use the I channel, as well as a low-density parity check code (LDPC) data message encoding design and interleaving definition. The work further describes the impact of the updated AFS design in terms of improved acquisition performance, interference resistance, navigation message capabilities and rapid absolute time dissemination for users able to access clock and ephemeris data over an external network. The cross-correlation and synchronization performance of the AFS design is also compared to potential alternatives, further providing rationale for the final signal design configuration.

LunaNet↗

Host analysis-guided selection and targeted engineering (HASTE) of Lipomyces tetrasporus for the conversion of CO2-derived feedstocks

Efficient and cost-competitive bioproduction calls for utilizing CO2-derived feedstocks, such as products from electro-reduction of CO2 and hydrolysate from lignocellulosic biomass. However, efficiently using all their carbon components, including acetate, glucose, and xylose, remains a challenge. Here, we characterize Lipomyces tetrasporus, a novel, robust yeast strain capable of effectively assimilating these carbon sources. We used an integrated systems biology approach combining ¹³C metabolic flux analysis, dynamic labeling experiments, and RNA sequencing. We conducted the first metabolic flux analysis for glucose, xylose, and acetate catabolism in this species. Dynamic labeling revealed a highly active TCA cycle during acetate metabolism, evidenced by rapid citrate and malate accumulation. The strain demonstrated strong NADH/NADPH production and acetyl-CoA synthase activity. Using insights and gene targets from this analysis, we engineered L. tetrasporus for malate production. The engineered strain produced 7.5 g/L malic acid (0.25 g/g yield) in shake flasks with glucose-acetate media and 28.8 g/L malic acid at a yield of 0.20 g/g in fed-batch mode with corn-stover hydrolysate. Together, these insights and rational strain engineering establish L. tetrasporus as a versatile, Crabtree-negative platform that is an energy-CO2-bioproduction nexus for channeling CO2 carbon into value-added bioproducts.

Xiao, Zhengyang↗

Toward a systematic exploration of nano-bio interactions

Many studies of nanomaterials make non-systematic alterations of nanoparticle physicochemical properties. Given the immense size of the property space for nanomaterials, such approaches are not very useful in elucidating fundamental relationships between inherent physicochemical properties of these materials and their interactions with, and effects on, biological systems. Data driven artificial intelligence methods such as machine learning algorithms have proven highly effective in generating models with good predictivity and some degree of interpretability. They can provide a viable method of reducing or eliminating animal testing. However, careful experimental design with the modelling of the results in mind is a proven and efficient way of exploring large materials spaces. This approach, coupled with high speed automated experimental synthesis and characterization technologies now appearing, is the fastest route to developing models that regulatory bodies may find useful. We advocate greatly increased focus on systematic modification of physicochemical properties of nanoparticles combined with comprehensive biological evaluation and computational analysis. This is essential to obtain better mechanistic understanding of nano-bio interactions, and to derive quantitatively predictive and robust models for the properties of nanomaterials that have useful domains of applicability. - Highlights: • Nanomaterials studies make non-systematic alterations to nanoparticle properties. • Vast nanomaterials property spaces require systematic studies of nano-bio interactions. • Experimental design and modelling are efficient ways of exploring materials spaces. • We advocate systematic modification and computational analysis to probe nano-bio interactions.

60 APPLIED LIFE SCIENCES↗

ILRS Analysis Activities After the Adoption of ITRF2020

"The contribution of the International Laser Ranging Service (ILRS) to the most recent realization of the International Terrestrial Reference System (ITRS) was the result of an analysis strategy with two major modifications compared to the operational products: a modeling for stations long-term systematic errors (biases reported in the ILRS Data Handling File) and an updated model of the target signature error (satellite Centre of Mass model). Both refined models were used as input information for the ILRS contribution to the ITRF2020 (International Terrestrial Reference Frame 2020). Thereafter, the ILRS Analysis Standing Committee (ASC) focused its effort on implementing the new reference frame in its operational products, define a strategy to improve the ongoing monitoring of the systematic errors, compute the ILRS contribution to the planned ITRF2020 update, and to include LARES-2 among the considered satellites for the operational products. The ILRS ASC implemented the ITRF2020/SLRF2020 into all its official operational products (TRF, Earth Orientation Parameters, predicted and combined satellite orbits) and its impact was evaluated. The operational products benefit from the continuous monitoring of the station systematic errors and the frequent updates of the Data Handling File whenever a significant change in the station systematic error is observed. In the future, a change-point detection algorithm, jointly estimating the times and the number of discontinuities, will be implemented to detect potential new discontinuities in the range bias series. The inclusion of LARES-2 among the satellites whose data are operationally analyzed will furtherly increase the robustness of the estimated parameters. Finally, the ILRS ASC activities include the benchmarking of a new analysis center (CNES) which will formally begin its own contribution in 2024."

Satellite Laser Ranging↗

Analysis of the weighted shifted boundary method for the Poisson and Stokes problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods, and relies on reformulating the original boundary value problem over a surrogate (approximate) computational domain. Accuracy is maintained by properly shifting the location and values of the boundary conditions. This avoids integration over cut cells and the associated implementation issues. Recently, the Weighted SBM (WSBM) was proposed for the Navier-Stokes equations with free surfaces and the Stokes flow with moving boundaries. The attribute “weighted” in the name WSBM stems from the fact that its variational form is weighted with the elemental volume fraction of active fluid. The motivation for the development of the WSBM was the preservation of the volume of active fluid to a higher degree of accuracy, which in turn resulted in improved stability and robustness characteristics in moving-boundary, time-dependent simulations. In this article, we present the numerical analysis of the WSBM formulations for the Poisson and Stokes problems. We give mathematical conditions under which the bilinear forms defining the discrete variational formulations are uniformly coercive (Poisson problem) or inf-sup stable (Stokes problem). By these results, stability and optimal convergence is proven in the natural norm; L2-error estimates can also be derived.

Approximate domain boundaries↗

Robust Time-Varying Parameter Identification for Composite Load Modeling

With the increasing integration of uncertain resources, e.g., renewables, electric vehicles, and demand responses, it is imperative to understand the characteristics of loads for power system analysis and control. Challenges of load modeling come from a variety of load components and time-varying compositions. In addition, the existence of outliers in measurements further complicates the problem. This paper proposes a robust time-varying parameter identification technique for composite ZIP and induction motor load models. A batch-model regression form, including time-varying parameters, is established based on state transition models and observation models with current observations and previous predictions to guarantee data redundancy. To deal with outliers, down-weighting coefficients of measurements are calculated with a projection statistics approach. Based on the batch-model regression and the down-weighting coefficients, parameter identification at each sample time is formulated as a weighted least squares optimization, which is solved by the Newton-Raphson approach with the previous estimated parameters as the initial iteration values. In addition, parameters' sensitivities to different outliers in measurements are analyzed. Results on the IEEE 57-bus system and IEEE 118-bus system show that the proposed algorithm can robustly identify time-varying parameters for the composite load models.

Composite load model↗

Improved estimates of the Milky Way’s stellar mass and star formation rate from hierarchical Bayesian meta-analysis

We present improved estimates of several global properties of the Milky Way, including its current star formation rate (SFR), the stellar mass contained in its disk and bulge+bar components, as well as its total stellar mass. We do so by combining previous measurements from the literature using a hierarchical Bayesian (HB) statistical method that allows us to account for the possibility that any value may be incorrect or have underestimated errors. We show that this method is robust to a wide variety of assumptions about the nature of problems in individual measurements or error estimates. Ultimately, our analysis yields an SFR for the Galaxy of M-dot {sub ⋆}=1.65±0.19 M{sub ⊙} yr{sup −1}, assuming a Kroupa initial mass function (IMF). By combining HB methods with Monte Carlo simulations that incorporate the latest estimates of the Galactocentric radius of the Sun, R{sub 0}, the exponential scale length of the disk, L{sub d}, and the local surface density of stellar mass, Σ{sub ⋆}(R{sub 0}), we show that the mass of the Galactic bulge+bar is M{sub ⋆}{sup B}=0.91±0.07×10{sup 10} M{sub ⊙}, the disk mass is M{sub ⋆}{sup D}=5.17±1.11×10{sup 10} M{sub ⊙}, and their combination yields a total stellar mass of M{sub ⋆}=6.08±1.14×10{sup 10} M{sub ⊙} (assuming a Kroupa IMF and an exponential disk profile). This analysis is based upon a new compilation of literature bulge mass estimates, normalized to common assumptions about the stellar IMF and Galactic disk properties, presented herein. We additionally find a bulge-to-total mass ratio for the Milky Way of B/T=0.150{sub −0.019}{sup +0.028} and a specific SFR of M-dot {sub ⋆}/M{sub ⋆}=2.71±0.59×10{sup −11} yr{sup −1}.

79 ASTRONOMY AND ASTROPHYSICS↗

Analysis into Asymptotic Convergence to Full Nonlinear Solutions and Exploration of the Implication of Numerical Operator Mutation of Differential Systems

A robust, sufficiently accurate and practical hydrodynamic simulation toolset is required as a key component of the modeling and simulation of air-gap electrostatic discharge events. This work was performed to complement these ongoing efforts. In particular, hydrodynamic simulations must be vetted to ensure they are robust and sufficiently accurate over relevant characteristic scales. Verification models were generated in order to cultivate the technical knowledge and expertise needed to properly create, implement and execute numerical simulations. Furthermore, this effort was utilized extensively to educate students on the mathematical and numerical principles underlying hydrodynamic simulations. This education opportunity, provided in a holistic and rigorous manner, has greatly benefited developing scientists and engineers with the necessary understandings and toolsets required to excel at accomplishing the task at hand, and, more generally, it has enabled them to generate key programmatic deliverables. This report articulates several subtilties; specifically, how perturbations, nonlinear behavior, and dissipative mechanisms influence numerical stability, how to properly structure mathematical and numerical solutions, and how to properly generate error estimation/assignment. A more rigorous discussion of the consequences of such topics can be found in the body of this report in Chapters 2 and 3 with qualitative findings discussed in Chapter 4.

97 MATHEMATICS AND COMPUTING↗

Community analysis of plant biomass-degrading microorganisms from Obsidian Pool, Yellowstone National Park

The conversion of lignocellulosic biomass into biofuels can potentially be improved by employing robust microorganisms and enzymes that efficiently deconstruct plant polysaccharides at elevated temperatures. Many of the geothermal features of Yellowstone National Park (YNP) are surrounded by vegetation providing a source of allochthonic material to support heterotrophic microbial communities adapted to utilize plant biomass as a primary carbon and energy source. In this paper, a well-known hot spring environment, Obsidian Pool (OBP), was examined for potential biomass-active microorganisms using cultivation-independent and enrichment techniques. Analysis of 33,684 archaeal and 43,784 bacterial quality-filtered 16S rRNA gene pyrosequences revealed that archaeal diversity in the main pool was higher than bacterial; however, in the vegetated area, overall bacterial diversity was significantly higher. Of notable interest was a flooded depression adjacent to OBP supporting a stand of Juncus tweedyi, a heat-tolerant rush commonly found growing near geothermal features in YNP. The microbial community from heated sediments surrounding the plants was enriched in members of the Firmicutes including potentially (hemi)cellulolytic bacteria from the genera Clostridium, Anaerobacter, Caloramator, Caldicellulosiruptor, and Thermoanaerobacter. Enrichment cultures containing model and real biomass substrates were established at a wide range of temperatures (55–85 °C). Microbial activity was observed up to 80 °C on all substrates including Avicel, xylan, switchgrass, and Populus sp. Finally, independent of substrate, Caloramator was enriched at lower (<65 °C) temperatures while highly active cellulolytic bacteria Caldicellulosiruptor were dominant at high (>65 °C) temperatures.

09 BIOMASS FUELS↗

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ExaWorks software development kit: a robust and scalable collection of interoperable workflows technologies

Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be mapped, scheduled, and launched on different computing. That requires a software stack that enables users to code their workflows and automate resource management and workflow execution. Currently, there are many workflow technologies with diverse levels of robustness and capabilities, and users face difficult choices of software that can effectively and efficiently support their use cases on HPC machines, especially when considering the latest exascale platforms. We contributed to addressing this issue by developing the ExaWorks Software Development Kit (SDK). The SDK is a curated collection of workflow technologies engineered following current best practices and specifically designed to work on HPC platforms. We present our experience with (1) curating those technologies, (2) integrating them to provide users with new capabilities, (3) developing a continuous integration platform to test the SDK on DOE HPC platforms, (4) designing a dashboard to publish the results of those tests, and (5) devising an innovative documentation platform to help users to use those technologies. Our experience details the requirements and the best practices needed to curate workflow technologies, and it also serves as a blueprint for the capabilities and services that DOE will have to offer to support a variety of scientific heterogeneous workflows on the newly available exascale HPC platforms.

97 MATHEMATICS AND COMPUTING↗

Iterative Bragg peak removal on X-ray absorption spectra with automatic intensity correction

This study introduces a novel iterative Bragg peak removal with automatic intensity correction (IBR-AIC) methodology for X-ray absorption spectroscopy (XAS), specifically addressing the challenge of Bragg peak interference in the analysis of crystalline materials. The approach integrates experimental adjustments and sophisticated post-processing, including an iterative algorithm for robust calculation of the scaling factor of the absorption coefficients and efficient elimination of the Bragg peaks, a common obstacle in accurately interpreting XAS data, particularly in crystalline samples. The method was thoroughly evaluated on dilute catalysts and thin films, with fluorescence mode and large-angle rotation. The results underscore the technique's effectiveness, adaptability and substantial potential in improving the precision of XAS data analysis. While demonstrating significant promise, the method does have limitations related to signal-to-noise ratio sensitivity and the necessity for meticulous angle selection during experimentation. Overall, IBR-AIC represents a significant advancement in XAS, offering a pragmatic solution to Bragg peak contamination challenges, thereby expanding the applications of XAS in understanding complex materials under diverse experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗