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NASA Computational Case Study: Spectral Energy Distribution Fitting

The need for faster, more efficient algorithms is an important aspect of scientific computing. Generally, scientists are only exposed to computational issues that arise in their field. Thus, collaboration between a numerical analyst and a scientist is becoming necessary for scientific computing. The purpose of this case study is to expose computer scientists to processes that an astronomer would use to obtain useful results from raw data. For example, astronomers are interested in determining the properties of galaxies and measuring changes in those properties as a function of time throughout cosmic history. To do so, they use certain models that are designed and refined over time via observations at different wavelengths of the light spectrum. The process of matching these models with observed data from studying celestial bodies is referred to as Spectral Energy Distribution (SED) fitting. In this case study, we learn how to perform the SED fit. This process requires knowledge of both the astronomical and computational issues involved when fitting flux, the total energy from a source as seen from Earth, to a set of physical templates. Once a fit is complete, one can classify the source and estimate a number of physical parameters. The goal is to demonstrate how the computer science skill set can be used in the scientific community and to possibly improve one or more of the computational aspects of this problem. The following provides some background on the astronomy issues, including information on the spectral energy distribution and related physical parameters, and the computational issues, including the fitting procedure..

modeling

Kepler Data Validation II–Transit Model Fitting and Multiple-Planet Search

This paper discusses the transit model-fitting and multiple-planet search algorithms and performance of the Kepler Science Data Processing Pipeline, developed by the Kepler Science Operations Center (SOC). Threshold crossing events (TCEs), which are transit candidate events, are generated by the Transiting Planet Search (TPS) component of the pipeline and subsequently processed in the data validation (DV) component. The transit model is used in DV to fit TCEs to characterize planetary candidates and to derive parameters that are used in various diagnostic tests to classify them. After the signature associated with the TCE is removed from the light curve of the target star, the residual light curve goes through TPS again to search for additional TCEs. The iterative process of transit model fitting and multiple-planet search continues until no TCE is generated from the residual light curve or an upper limit is reached. The transit model-fitting and multiple-planet search performance of the final release (9.3, 2016January) of the pipeline is demonstrated with the results of the processing of four years (17 quarters) of flight data from the primary Kepler Mission. The transit model-fitting results are accessible from the NASA Exoplanet Archive. The final version of the SOC codebase is available through GitHub.

Threshold crossing events (TCEs

PolyFit: A C++ code for Polynomial Curve Fit with Calculation of Error Bars

In radiobiology, many dose-response results are modeled using the so-called linear-quadratic (LQ)model, which means that results are modeled as a function of dose Das 𝑅(𝐷)=𝛽0+𝛽1𝐷+𝛽2𝐷2. The coefficients 𝛽0, 𝛽1and 𝛽2are obtained from fitting a series of data points (𝑥𝑖, 𝑦𝑖), which is usually done using a least-square method. The LQ and more generally the polynomial fit capability is implemented in many software that analyzes data. However, there are some instances where the fitting needs to be done programmatically. Furthermore, depending on the software used, some features may not be implemented. In this mini-review, I discuss the basis of polynomial fitting, including the calculation of errors on the coefficients and results, use of weighting and fixing the intercept value (the coefficient 𝛽0). A simple C++ code to perform the polynomial curve fitting is also provided. This code should be useful not only in radiobiology but in other fields of science as well.

Ianik Plante

PolyFit: A C++ code for Polynomial Curve Fit with Calculation of Error Bars

In radiobiology, many dose-response results are modeled using the so-called linear-quadratic(LQ)model, which means that results are modeled as a function of dose Das 𝑅(𝐷)=𝛽0+𝛽1𝐷+𝛽2𝐷2. The coefficients 𝛽0, 𝛽1and 𝛽2are obtained from fitting a series of data points (𝑥𝑖,𝑦𝑖), which is usually done using a least-square method. The LQ and more generally the polynomial fit capability is implemented in many software that analyzes data. However, it is often convenient to do the fitting programmatically, especially when a large number of datasets should be analyzed. Furthermore, depending on the software used, some features may not be implemented. In this mini-review, I discuss the basis of polynomial fitting, including the calculation of errors on the coefficients and results, use of weighting and fixing the intercept value (the coefficient 𝛽0). A simple C++ code to perform the polynomial curve fitting is also provided. This code should be useful not only in radiobiology but in other fields of science as well.

Ianik Plante

Development of Lunar EVA Fitness for Duty Standards for Aerobic Capacity and Muscle Strength

Current aerobic Fitness Standards for NASA astronauts are based on peak aerobic capacity (i.e. VO2peak (ml/kg/min))and are related to aerobic metabolic requirements for Extravehicular Activity (EVA) in microgravity and in 1 g operational environments. Standards for muscle strength need to be developed. Fitness for Duty Standards for partial gravity EVA (e.g. 1/6 g EVA on the Lunar surface) are not developed in terms of aerobic fitness and muscle strength. Defining thresholds for aerobic fitness and muscle strength will help to provide guidance in determining recommendations for optimal fitness necessary for partial g EVA success.

D Frisco

Validation of Fitness for Duty Standards Using Pre- and Post-Flight Capsule Egress and Suited Functional Performance Tasks in Simulated Reduced Gravity

The transition between gravity environments will involve one of the most complex, high-risk phases of any mission. For example, the reduced functional capacity caused by physiological deconditioning adaptations in microgravity coupled with the stressors of re-entry into partial gravity environments will increase risks to crew, even with rigorous adherence to inflight countermeasures. Quantification of the astronauts’ post-landing functional performance is necessary to design ConOps for exploration missions. Specifically, these two high-risk scenarios may be required to be performed soon after gravity transitions: • Nominal and/or emergency unassisted capsule egress task after return to Earth • Planetary extravehicular activity (EVA) soon after landing on Mars or the Moon This study is broken down into two phases. Phase 1: A feasibility study that will assess the overall feasibility and demonstrate the capability to do these tasks shortly after landing. Phase 2: the full Egress Fitness study, which is part of the CIPHER complement. This study uses a task-based approach to characterize functional performance of these high-risk scenarios in long-duration ISS crewmembers before flight and shortly after return to Earth. Prior to any testing, each astronaut subject completes a suit fit check to ensure adequate sizing and a mobility assessment to confirm completion of the EVA tasks. Pilot Egress Fitness pre-flight and post-flight testing includes an Earth-based emergency egress out of a functional capsule mockup and a short Mars gravity EVA simulation including suit donning, hatch egress, ladder descent, task board cable operations, baggage transfer over sand/rocky regolith, alignment with a rear entry port, and suit egress. Pre-flight testing will occur at any time point prior to flight. Post-flight assessment is much more critical with the capsule egress test that will occur 1–4 hours after landing and the planetary EVA approximately 18–36 hours after landing. The CIPHER study will incorporate additional pre-flight sessions, longer EVA tasks that include traverse and geology sampling, and post-flight sessions on R+1, 4, and 8 to characterize the timeframe of recovery. Data collected for both tasks include task completion time, photo, and video. The EVA portion also includes collection of metabolic and heart rate. Pilot Egress Fitness study has completed both baseline and post-flight testing on four astronaut subjects, with all four able to complete post-flight EVA testing and three able to complete postflight capsule egress testing. Preliminary results observe individual physiological variations, which were to be expected but also suggest the need to carefully track the timeline from undock to landing to testing. Furthermore, some task performance instructions and equipment may need to be adjusted to ensure results are primarily physiological. These and other lessons learned will be addressed with minor protocol changes in the full CIPHER Egress Fitness study.

J R Norcross

CIPHER: Egress Fitness

The transition between gravity environments will involve one of the most complex, high-risk phases of exploration missions. The reduced functional capacity caused by physiological deconditioning adaptations in microgravity coupled with the stressors of re-entry into partial gravity environments will increase risks to crew, even with rigorous adherence to inflight countermeasures. Specifically, two high-risk scenarios may be required to be performed soon after gravity transitions: 1) nominal and/or emergency unassisted capsule egress task after return to Earth, and 2) planetary extravehicular activity (EVA) soon after landing on Mars or the Moon. Quantification of crewmember’s functional performance after long-duration spaceflight is necessary to inform concepts of operations for future exploration missions. The overarching aim of this study is to quantify post-landing functional performance with deconditioning after long-duration ISS missions. This study is broken down into two phases. Phase 1 includes a pilot study to assess the overall feasibility and demonstrate the capability to perform mission-like tasks shortly after landing. Phase 2, the Egress Fitness study, which is part of the Complement of Integrated Protocols for Human Exploration Research (CIPHER), uses a task-based approach to characterize functional performance in long-duration ISS crewmembers before flight and shortly after return to Earth. The pilot and full Egress Fitness study includes pre-flight and post-flight testing of simulated emergency egress out of a functional capsule mockup and a Mars gravity EVA simulation at the Active Response Gravity Offload System (ARGOS) facility. The EVA simulation tasks include suit donning, hatch egress, ladder descent, task board cable operations, baggage transfer over sand/rocky regolith, alignment with a rear entry port, and suit egress. The post-flight simulated capsule egress test occurs 1–4 h after landing and the planetary EVA simulation occurs 18–36 h after landing. The full CIPHER Egress Fitness study has additional pre-flight sessions, longer EVA tasks that include traverse and geology sampling, and post-flight sessions on R+1, 4, and 8 to characterize the timeframe of recovery. Pilot Egress Fitness has completed baseline and post-flight testing on four crewmembers. That study remains open. Originally this was to cover the Boeing CFT mission, but now also includes private astronauts on commercial spaceflights. CIPHER study data collection is ongoing with 2 subjects completed and 4 additional subjects consented. This study will quantify post-landing functional performance in operationally relevant simulations to help inform fitness for duty standards and future planetary concepts of operations shortly after landing.

Jason Norcross

Robust Automatic EXAFS First-Shell Fits

Extended X-ray absorption fine structure (EXAFS) is a widely used technique for atomic structure determination. Fourier transformation connects EXAFS in k space and R space. However, determining the appropriate k-range for the transformation can be challenging, but critical for the first-shell fit. In this study, we present an automatic method to determine the k-range using the Larch package and a Python program. The first step is to estimate spectral noise across a series of k-ranges with a fixed minimum value and identify the optimal maximum value in the k-range (k max ). The k max is determined by an empirical noise threshold that marks the point where the noise level in the Fourier transformed spectrum changes dramatically. Using the obtained k max value, the first shell is modeled to determine the minimum k value (k min ) by optimizing the background function through alignment of the spectrum with theory. The optimal k min corresponds to the point of the minimum R-factor, which quantifies the difference between the experimental and fitted spectrum. Our method was tested on various typical datasets and yielded suitable k-ranges for Fourier transformation and accurate first-shell fits. This approach helps avoid unreliable, irreproducible data analysis, especially for noisy data from diluted samples, and enables robust automatic first-shell EXAFS fitting.

EXAFS analysis

The 300 Marines: characterizing the US Marines with perfect scores on their physical and combat fitness tests

Few US Marines earn perfect 300 scores on both their Physical Fitness Test (PFT) and Combat Fitness Test (CFT). The number 300 invokes the legendary 300 Spartans that fought at the Battle of Thermopylae, which inspired high physical fitness capabilities for elite ground forces ever since. Purpose: Determine distinguishing characteristics of the “300 Marines” (perfect PFT and CFT scores) that may provide insights into the physical and physiological requirements associated with this capability. These tests have been refined over time to reflect physical capabilities associated with Marine Corps basic rifleman performance. Materials and methods: Data were analyzed from US Marines, including 497 women (age, 29 ± 7 years; height 1.63 ± 0.07 m; body mass, 67.4 ± 8.4 kg) and 1,224 men (30 ± 8 years; 1.77 ± 0.07 m; 86.1 ± 11.1 kg). Marines were grouped by whether they earned perfect 300 scores on both the PFT and CFT (300 Marines) or not. We analyzed group differences in individual fitness test events and body composition (dual-energy x-ray absorptiometry). Results: Only 2.5% (n = 43) of this sample earned perfect PFT and CFT scores (n = 21 women; n = 22 men). Compared to sex-matched peers, 300 Marines performed more pull-ups, with faster three-mile run, maneuver-under-fire, and movement-to-contact times (each p < 0.001); 300 Marines of both sexes had lower fat mass, body mass index, and percent body fat (each p < 0.001). The lower percent body fat was explained by greater lean mass (p = 0.041) but similar body mass (p = 0.085) in women, whereas men had similar lean mass (p = 0.618), but lower total body mass (p = 0.025). Conclusion: Marines earning perfect PFT and CFT scores are most distinguished from their peers by their maneuverability, suggesting speed and agility capabilities. While both sexes had considerably lower percent body fat than their peers, 300 Marine women were relatively more muscular while men were lighter.

60 APPLIED LIFE SCIENCES

Beyond traditional diagnostics: Identifying active galactic nuclei using spectral energy distribution fitting in DESI data

Active galactic nuclei (AGN) are typically identified through their distinctive X-ray or radio emissions, mid-infrared (MIR) colors, or emission lines. However, each method captures different subsets of AGN due to signal-to-noise (S/N) limitations, redshift coverage, and extinction effects, underscoring the necessity for a multiwavelength approach for comprehensive AGN samples. This study explores the effectiveness of spectral energy distribution (SED) fitting as a robust method for AGN identification. Using CIGALE optical-MIR SED fits on DESI Early Data Release galaxies, we compare SED-based AGN selection (AGNFRAC ≥ 0.1) with traditional methods including BPT diagrams, WISE colors, X-ray, and radio diagnostics. The SED fitting identifies ∼70% of narrow- and broad-line AGN and 87% of WISE-selected AGN. Incorporating high S/N WISE photometry reduces star-forming galaxy contamination from 62% to 15%. Initially, ∼50% of SED-AGN candidates are undetected by standard methods, but additional diagnostics classify ∼85% of these sources, revealing low-ionization nuclear emission-line regions and retired galaxies potentially representing evolved systems with weak AGN activity. Further spectroscopic and multiwavelength analysis will be essential to determine the true AGN nature of these sources. SED fitting provides complementary AGN identification, unifying multiwavelength AGN selections. This approach enables more complete – albeit somewhat contaminated – AGN samples, which are essential for upcoming large-scale surveys where spectroscopic diagnostics may be limited.

Seyfert

SCEC/USGS Community Stress-Drop Validation Study: How Spectral Fitting Approaches Influence Measured Source Parameters

Spectral source parameters used to estimate an earthquake’s stress drop (⁠Δσ⁠) can vary significantly across measurement approaches. The Statewide California Earthquake Center/U.S. Geological Survey Community Stress‐Drop Validation Study was initiated to compare source parameter estimates, focusing initially on a dataset from the 2019 Ridgecrest earthquake sequence. As part of that validation effort, here we focus on one potential source of uncertainty: whether spectral fitting approaches alone, applied to a common set of spectra from the 2019 Ridgecrest sequence result in different source parameter estimates. By using a common set of benchmark spectra analyzed across a consistent frequency band of 1–40 Hz, we eliminate many sources of variability. A subgroup of validation study participants volunteered to estimate the low‐frequency displacement (⁠Ω 0 ⁠) and corner frequency (⁠ƒ c ⁠) by fitting a smooth function to benchmark displacement spectra. Participants used linear‐ or log‐sampled spectra, assumed a Brune or Boatwright spectral model, and applied different misfit criteria. We compare 17 approaches used to estimate ⁠Ω 0 ⁠, ƒ c ⁠, and Δσ for 54 earthquake spectra. Our results reveal that 35% of events have Δσ estimates within a factor of two, whereas others exhibit variations exceeding an order of magnitude. The variability in and can largely be attributed to whether a spectrum is consistent with the smooth function of an idealized simple crack model. The trade‐off between Ω 0 and ƒ c may be more pronounced when using linearly sampled spectra, as higher frequency spectral bumps control the fits. As expected, methods that assumed a Boatwright model tended to have lower Ω 0 and somewhat higher ƒ c compared to those assuming a Brune model, although resulting Δσ estimates are similar. Finally, when compared to the overall validation study results, the fitting approach alone may account for between 5% and 90% (25% on average) of the total variability in spectral Δσ⁠.

58 GEOSCIENCES

Analysis of pressure test results of tube fittings for the potential application in cryo systems for helium leak rate reduction

Due to the nature of Helium, it is notoriously difficult to maintain a closed system without experiencing helium inventory loss through leakage in large tubing and piping runs. There are two standard fitting options readily available for piping and tubing assemblies, welded fittings or Swagelok ® . Welding is the best option for leak rate reduction, but more costly than Swagelok ® . A new style of fitting has come to the attention of BNL C-AD Cryo group, and a pressure test and leak rate analysis were performed to evaluate the viability of incorporating this new style fitting into current engineering design of warm helium tubing runs for the purpose of leak rate reduction.

43 PARTICLE ACCELERATORS

Fitness for Service Assessment of a Corroded Heat Exchanger

Fermilab s Main Injector Accelerator has used shell & tube heat exchangers to cool various beamline components since its construction in the late 1990s. Many of the heat exchangers still around today are original to the machine. Untreated pond water has been used to exchange heat with the Low Conductivity Water. Throughout the lifetime of Fermilab s heat exchangers, they have undergone significant material degradation in the carbon steel end channels due to corrosion. Wall thickness measurements (per API 510) of each heat exchanger were used to generate a 3D model of the corroded surfaces. In order to continue their safe and reliable operation, ASME FFS-1/API 579 (Fitness-For-Service) was implemented to address their integrity. The assessments consisted of finite element analysis techniques outlined in ASME Section VIII Div. 2 (design by analysis methods for pressure vessels), in accordance with the requirements of ASME FFS-1 Part 4: General Metal Loss, Part 5: Local Metal Loss, and Part 9: Crack Like Flaws. The assessments concluded that each heat exchanger is coined Fit For Service . The Fitness-For-Service standard offers a unique opportunity to facilities and institutions within the DOE National Lab complex to properly and safely assess the integrity of aging equipment necessary to conduct science and research. This poster demonstrates the assessment process and techniques used to determine the heat exchangers are fit for service.

Humenik, Alex [Fermilab]

PISCES two-detector covariance matrix fit for the NOvA Experiment

NOvA is a long-baseline neutrino oscillation experiment with two functionally identical detectors: a Near Detector (ND) at Fermilab, placed 1 km from the neutrino source, and a Far Detector (FD) located 810 km away from the ND in Minnesota. NOvA's primary physics goals are the precise measurements of neutrino oscillation parameters $\theta_{23}$ and $\Delta m^2_{32}$ , determine the neutrino mass ordering, and constrain the value of $\delta_{CP}$, via the study of muon neutrino to electron neutrino oscillation. In the standard NOvA three-flavor analysis, oscillation parameters are extracted using an extrapolation technique in which the ND data constrain the FD prediction through a ratio method. While this allows for systematic uncertainties sharing the same effects in both detectors to cancel, it remains an FD-only fit and does not fully leverage the constraining power of the high-statistics ND. This analysis proposes a simultaneous ND+FD fit using the PISCES method. PISCES (Parameter Inference with Systematic Covariance and Exact Statistics) is a framework designed to support complex configurations such as a joint ND+FD fit. This allows PISCES to take full advantage of the ND data to directly constrain systematic uncertainties across all samples. In PISCES, systematic uncertainties are encoded in a fractional covariance matrix, and statistical uncertainties are handled with a Poisson likelihood, making the approach well suited for low-statistics samples. For interpretability, we further use a Newton–Raphson + PCA method to recover per-systematic pulls from the covariance formulation. This poster presents the full PISCES joint ND+FD fit for the NOvA three-flavor analysis, describes its implementation and evaluates its performance through extensive robustness tests and fake data studies. It also provides a comparison between the PISCES joint ND+FD results and the standard NOvA extrapolation method.

Rajaoalisoa, Miriama [Cincinnati U.] (ORCID:000000

Curve fits of predicted inviscid stagnation-point radiative heating rates, cooling factors, and shock standoff distances for hyperbolic earth entry

Curve-fit formulas are presented for the stagnation-point radiative heating rate, cooling factor, and shock standoff distance for inviscid flow over blunt bodies at conditions corresponding to high-speed earth entry. The data which were curve fitted were calculated by using a technique which utilizes a one-strip integral method and a detailed nongray radiation model to generate a radiatively coupled flow-field solution for air in chemical and local thermodynamic equilibrium. The range of free-stream parameters considered were altitudes from about 55 to 70 km and velocities from about 11 to 16 km.sec. Spherical bodies with nose radii from 30 to 450 cm and elliptical bodies with major-to-minor axis ratios of 2, 4, and 6 were treated. Powerlaw formulas are proposed and a least-squares logarithmic fit is used to evaluate the constants. It is shown that the data can be described in this manner with an average deviation of about 3 percent (or less) and a maximum deviation of about 10 percent (or less). The curve-fit formulas provide an effective and economic means for making preliminary design studies for situations involving high-speed earth entry.

Suttles, J. T.

Lock for Tube Fittings

Attachment for nuts of tube fittings locks fittings securely. Attachment includes covers for nut on tube fitting and nut on boss fitting.

Hein, L. A.

Fracture analysis of radial scientific instrument module registration fittings of the space telescope

The space telescope contains various scientific instrument (SI) modules which are mounted to the Focal Plane Structure (FPS) in a statically determinate manner. This is accomplished by using three registration fittings per SI module, one resisting three translations, another resisting two and the third resisting only one. Due to thermal insulating requirements these fittings are complex devices composed of numerous pieces. The structural integrity of these fittings is of great importance to the safety of the orbiter transporting the telescope, so in addition to the stress analyses performed during the design of these components, fracture susceptibility also needs to be considered. The pieces of the registration fittings for the Radial SI Module containing the Wide Field Planetary Camera are examined to determine which would endanger the orbiter if they fractured and what is the likelihood of their fracture. The latter is stated in terms of maximum allowable initial flaw sizes in these pieces.

Springfield, C. W., Jr.

Evaluation of the NASA/JSC Health Related Fitness Program

The effects of the NASA Health Related Fitness Program (HRFP), which includes a 12-week educational component (EC) and quarterly fitness retests (RT), on the results of periodic testing of fitness, body composition, and blood lipids were evaluated in three goups of pilots. These included the group of compliers (those who completed EC and not less than 75 percent RT), the noncompliers (completed EC and lesss than 75 percent RT), and the dropouts from EC. Results show that beneficial changes in physical activity found two years after the completion of the HRFP were related to both the completion of the EC and the periodic fitness reevaluations. These changes were associated with maximal oxygen consumption, percent body fat, body weight, and blood lipids.

Wier, Larry T.