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NASA NTRSDate not supplied

Quantifying radiation quality for space relevant radiation types: Fitting excess risk models to outbred mice data

Accurately quantifying the differences in radiation quality between space and terrestrial environments is important for predicting health risks for astronauts.Recently, Edmundson et al. 2020[1] provided valuable new results from out-bred mice linking tumor induction and genetic background aer exposure to low and high-LET radiation. The goal of the current study is to more rigorously estimate a relative biological effectiveness (RBE) factor by leveraging the solid tumor data from Edmundson et al. 2020. Excess relative risk (ERR) models and excess absolute risk (EAR) models were fit using Poisson regression similar to the models that the Radiation Effects Research Foundation uses to fit atomic bomb survivor data. Linear ERR and EAR slopes were simulated usingBayesian analyses, and RBE values were calculated from the ratio of the heavy ion linear slope to the gamma linear slope using the full posterior distribution.

Lori J. Chappell↗

DOE OSTI2026

First results from search for muon-neutrino disappearance at ICARUS

The ICARUS collaboration has completed a search for muon-neutrino disappearance in the context of the 3+1 sterile neutrino model using data collected with the Booster Neutrino Beam at Fermilab during 2022-2023 (ICARUS Run 2). Events are reconstructed with two different reconstruction frameworks and we select events with 1 muon, at least 1 proton, and no pions in the final state. A new fitting framework, called PROfit, was developed for this analysis and used for the final results presented here. As a single detector oscillation search this analysis is systematics limited, but the tools shown here will serve as a building block for future SBN searches where systematics will be constrained by the addition of a near detector. I will discuss the details of the analysis with a focus on the fitting framework, mock data studies, and the final fitting procedure during the data unboxing.

Larkin, Jacob [Rochester U.]↗

DOE OSTI2026

First results from search for muon-neutrino disappearance at ICARUS

Larkin, Jacob [Rochester U.]↗

NASA NTRS2014

Global Free Tropospheric NO2 Abundances Derived Using a Cloud Slicing Technique Applied to Satellite Observations from the Aura Ozone Monitoring Instrument (OMI)

We derive free-tropospheric NO2 volume mixing ratios (VMRs) and stratospheric column amounts of NO2 by applying a cloud slicing technique to data from the Ozone Monitoring Instrument (OMI) on the Aura satellite. In the cloud-slicing approach, the slope of the above-cloud NO2 column versus the cloud scene pressure is proportional to the NO2 VMR. In this work, we use a sample of nearby OMI pixel data from a single orbit for the linear fit. The OMI data include cloud scene pressures from the rotational-Raman algorithm and above-cloud NO2 vertical column density (VCD) (defined as the NO2 column from the cloud scene pressure to the top-of-the-atmosphere) from a differential optical absorption spectroscopy (DOAS) algorithm. Estimates of stratospheric column NO2 are obtained by extrapolating the linear fits to the tropopause. We compare OMI-derived NO2 VMRs with in situ aircraft profiles measured during the NASA Intercontinental Chemical Transport Experiment Phase B (INTEX-B) campaign in 2006. The agreement is generally within the estimated uncertainties when appropriate data screening is applied. We then derive a global seasonal climatology of free-tropospheric NO2 VMR in cloudy conditions. Enhanced NO2 in the free troposphere commonly appears near polluted urban locations where NO2 produced in the boundary layer may be transported vertically out of the boundary layer and then horizontally away from the source. Signatures of lightning NO2 are also shown throughout low and middle latitude regions in summer months. A profile analysis of our cloud slicing data indicates signatures of uplifted and transported anthropogenic NO2 in the middle troposphere as well as lightning-generated NO2 in the upper troposphere. Comparison of the climatology with simulations from the Global Modeling Initiative (GMI) for cloudy conditions (cloud optical thicknesses > 10) shows similarities in the spatial patterns of continental pollution outflow. However, there are also some differences in the seasonal variation of free-tropospheric NO2 VMRs near highly populated regions and in areas affected by lightning-generated NOx. Stratospheric column NO2 obtained from cloud slicing agrees well with other independently-generated estimates, providing further confidence in the free-tropospheric results.

NO2↗

NASA NTRS1989

Chi-squared and C statistic minimization for low count per bin data

Results are presented from a computer simulation comparing two statistical fitting techniques on data samples with large and small counts per bin; the results are then related specifically to X-ray astronomy. The Marquardt and Powell minimization techniques are compared by using both to minimize the chi-squared statistic. In addition, Cash's C statistic is applied, with Powell's method, and it is shown that the C statistic produces better fits in the low-count regime than chi-squared.

Nousek, John A.↗

DOE OSTI2023

Examining ICARUS Cosmic Muon Signal Shapes

In the search for new physics, such as sterile neutrinos, we must compare our experimental data to the case where this new physics does not exist, which is provided by simulations. However, our detectors and simulations are not perfect, so we need to be able to differentiate imperfections in our simulations, detector effects, and unknown unknowns from new physics. Thus, we need to quantify ICARUS detector systematic uncertainties; in other words, we need to know how much difference between experiment and simulation we can expect due to only detector systematics, so when we see differences greater than this, we can be confident they are due to new physics. To calculate this uncertainty, we study the signals produced in ICARUS by cosmic muons, since these muons are well understood. Ideally, we want to fit these waveforms as Gaussians and compare the fits from experimental data to fits from simulations to calculate the uncertainties, but first, we need to know how accurately these curve s can be described by Gaussians. We examined the peak and the full width at half maximum (FHWM) of signals from simulations, and we produced plots of the distribution of peaks and FHWMs for these signals. We further studied how the peaks and FHWMs varied depending on where the signal came from in the detector. Ultimately, by comparing the actual distribution of peaks and FHWMs to the distribution predicted by the Gaussian fits, we hope to determine how well these signals can be described as Gaussians.

Patino, Nicolas↗

NASA NTRSDate not supplied

Global Variability in Sonic Boom Exposure due to Macroscopic Effects

Supersonic flight over land has been prohibited since 1973 due to the loudness of sonic booms. NASA is building the X-59 aircraft as part of its Quesst mission to demonstrate low-loudness shaped sonic booms, or “sonic thumps.” The Quesst mission will gather human perception data via a series of community noise surveys across the USA. The noise dose and perceptual response data will be provided to the International Civil Aviation Organization (ICAO) and the Federal Aviation Administration for use in determining potential future supersonic aircraft noise certification standards, effectively changing the prohibition from a speed limit to a noise limit. These noise regulations must be globally effective, as long travel distances see the largest benefit to supersonic flight. The state of the atmosphere through which a sonic boom travels affects the size of the region exposed to sound, the “carpet width” (CW), as well as the loudness. The focus of this dissertation is to understand and quantify the expected loudness and CW of sonic booms due to the macroscopic atmospheric effects around the world. A pair of large-scale propagation simulation studies were conducted using the NASA PCBoom code to compare predicted sonic boom loudness and CW statistics first across the USA and then across the world. For the USA study, near-field data of the X-59 in steady cruise was propagated at 4 cardinal headings at 138 locations through 5 years of Climate Forecast System Version 2 (CFSv2) atmospheric profiles. Results of a bootstrap forest predictor screening model indicated the importance of climate zone, latitude, ground elevation, season, and heading. It also noted the unimportance of time of day for predicting loudness and CW. The data is visualized in aggregate, and then broken out geographically, by season and heading, and by climate zone. Multiple linear regression models were fit to the data from the 138 locations so that estimates of the loudness and CW can be produced anywhere in the US. The results can aid in planning when and where to fly the X-59. For the global study, near-field data from three aircraft, the X-59 in a quiet and loud configuration, B-58, and Concorde, were propagated at four cardinal headings through data from three atmospheric models, the CFSv2, the Global Forecast System (GFS), and the ECMWF Reanalysis Version 5 (ERA5), at 100 global locations over 1 year. Results of a bootstrap forest predictor screening model indicated the importance of climate zone, ground elevation, season, and heading. Similar to the US study, the model indicated time of day was not an important predictor. The model also indicated that choice of weather model was not important, so the atmospheric model data are effectively interchangeable. The ERA5 model was chosen for use in an extension of the study to include 18 additional locations to ensure sampling of every climate zone. Loudness and CW results are shown in aggregate, and split geographically and by heading, season, and climate. Multiple linear regression models were fit to the data from the 118 locations so that estimates of loudness and CW can be produced around the world. N-waves and shaped booms did not have the same global variability. Koppen-Geiger climate zones were used as the climate zone definition for the global study. These are available as present-day and future climate projections. Making use of the multiple linear regression models, the future climate zones were input to estimate the effect of the changing climate on sonic boom loudness and CW. Results indicate that a changing climate would have little impact on the effectiveness of noise regulations.

X-59↗

DOE OSTI2025

Probabilistic Hazard Assessment for Tornadoes, Straight-Line Wind, and Extreme Precipitation at the Savannah River Site

Recent data sets for three meteorological phenomena with the potential to inflict damage on SRS facilities – tornadoes, straight-line winds, and heavy precipitation – are analyzed using appropriate statistical techniques to estimate the occurrence probabilities for these events in the future. Summaries of the results for DOE-mandated return periods and comparisons to similar calculations performed in 2013 by Werth et al. (W2013) are given. Using tornado statistics for i) the combined states of Georgia and South Carolina, and ii) a 2⁰ square area surrounding SRS, we calculated the probability per year of any location at SRS being struck by a tornado (the ‘strike’ probability) and the probability that any point will experience winds above set thresholds. The strike probability was calculated to be 7.04E-4 (1 chance in 1420) per year and tornadic wind speeds for DOE mandated return periods of 50,000 years (corresponding to wind design category 3 (WDC-3), and 125,000 years (meeting WDC-4) (USDOE, 2016) were estimated to be 132 mph and 147 mph, respectively. By contrast, default tornado wind speeds taken from ANSI/ANS-2.3-2011 are somewhat higher: 161 mph for return periods of 50,000 years and 173 mph every 125,000 years (ANS, 2011). Although the ANS and the SRS evaluation used the same basic model (Ramsdell and Rishel, 2007), the region defined in ANS 2.3 that encompasses the SRS also includes areas of the Great Plains and lower Midwest, regions with much higher occurrence frequencies of strong tornadoes. The SRS straight-line wind values associated with various return periods were calculated by fitting existing wind data to a GEV1 distribution and extrapolating the values for any return period from the tail of that function. For the DOE mandated return periods, we expect straight-line winds of 117 mph every 2500 years (the required WDC-3 standard) and 125 mph every 6250 years (WDC-4) at any point within the SRS. These values are similar to those from the ANS-2.3-2011 report, which has wind speeds of 125mph and 133 mph for return periods of 2500 years and 6250 years, respectively. For extreme precipitation, we compared the fits of two different theoretical extreme-value distributions and applied the one that fit the data best for each of several accumulation periods. The DOE mandated 6-hr accumulated rainfall for return periods of 10,000 years (corresponding to precipitation design category 3 (PDC-3) and 25,000 years (PDC-4) were estimated as 9.1 inches and 10.1 inches, respectively. For the 24-hr rainfall return periods of 10,000 years and 25,000 years, total rainfall estimates were 12.02 inches and 13.17 inches, respectively, higher than comparable values provided in the W2013 report.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Hierarchical Bayesian Thermonuclear Rate for the 7 Be(n,p) 7 Li Big Bang Nucleosynthesis Reaction

Big Bang nucleosynthesis provides the earliest probe of standard model physics, at a time when the universe was less than 1000 seconds old. It determines the abundances of the lightest nuclides, which give rise to the subsequent history of the visible matter in the universe. This work derives new 7 Be(n,p) 7 Li thermonuclear reaction rates based on all available experimental information. This reaction sensitively impacts the primordial abundances of 7 Be and 7 Li during big bang nucleosynthesis. We critically evaluate all available data and disregard experimental results that are questionable. For the nuclear model, we adopt an incoherent sum of single-level, two-channel, R -matrix approximation expressions, which are implemented into a hierarchical Bayesian model, to analyze the remaining six data sets we deem most reliable. In the fitting of the data, we consistently model all known sources of uncertainty, including discrepant absolute normalizations of different data sets, and also take the variation of the neutron and proton channel radii into account, hence providing less biased estimates of the 7 Be(n,p) 7 Li thermonuclear rates. From the resulting posteriors, we extract R -matrix parameters ($E_r, γ^2_n, γ^2_p$) and derive excitation energies and partial and total widths. Our fit is sensitive to the contributions of the first three levels above the neutron threshold. Reaction rates were computed by integrating 10,000 samples of the reduced cross section. Our 7 Be(n,p) 7 Li thermonuclear rates have uncertainties between 1.5% and 2.0% at temperatures of ≤1 GK. Finally, we compare our rates to previous results and find that the 7 Be(n,p) 7 Li rates most commonly used in big bang simulations have uncertainties that are too optimistic.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Dose reconstruction for plutonium-239 intakes at the Rocky Flats Plant

Purpose: The Rocky Flats (RF) Plant was a weapons manufacturing facility that operated from the early 1950s to 1989. Its primary missions were the production of plutonium (Pu) pits for thermonuclear weapons and the processing of retired weapons for Pu recovery. The purpose of this study was to estimate radiation doses to a cohort of 4499 RF workers from an intake of 239 Pu, the primary plutonium isotope handled at the site. Materials and methods: The latest biokinetic models of the International Commission on Radiological Protection, or site-specific variations of those models, were used to estimate 239 Pu intakes for each worker based on model fits to bioassay data often coupled with lung measurements. Results: Urinary excretion and lung retention data for most 239 Pu intakes could be fit reasonably well by a mixture of Pu dioxide and moderately soluble material. For some workers, better fits were obtained by application of other absorption types including Type S, 239 Pu nitrate, or pure 239 Pu dioxide, or by assuming intake via a wound. The lungs typically received the highest tissue doses, with fifty-year committed equivalent doses in the range of 0.5–1 Sv for 275 workers, 1–5 Sv for 115 workers, and greater than 5 Sv for 12 workers. Conclusions: RF was a unique site regarding a large number of lung measurements available for determining the appropriate absorption types for inhaled material. Further, this provided higher confidence in reconstructed 239 Pu doses than is generally gained from urinary data alone.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2020

Predicting the viability of beta-lactamase: How folding and binding free energies correlate with beta-lactamase fitness

One of the long-standing holy grails of molecular evolution has been the ability to predict an organism’s fitness directly from its genotype. With such predictive abilities in hand, researchers would be able to more accurately forecast how organisms will evolve and how proteins with novel functions could be engineered, leading to revolutionary advances in medicine and biotechnology. In this work, we assemble the largest reported set of experimental TEM-1 β-lactamase folding free energies and use this data in conjunction with previously acquired fitness data and computational free energy predictions to determine how much of the fitness of β-lactamase can be directly predicted by thermodynamic folding and binding free energies. We focus upon β-lactamase because of its long history as a model enzyme and its central role in antibiotic resistance. Based upon a set of 21 β-lactamase single and double mutants expressly designed to influence protein folding, we first demonstrate that modeling software designed to compute folding free energies such as FoldX and PyRosetta can meaningfully, although not perfectly, predict the experimental folding free energies of single mutants. Interestingly, while these techniques also yield sensible double mutant free energies, we show that they do so for the wrong physical reasons. We then go on to assess how well both experimental and computational folding free energies explain single mutant fitness. We find that folding free energies account for, at most, 24% of the variance in β-lactamase fitness values according to linear models and, somewhat surprisingly, complementing folding free energies with computationally-predicted binding free energies of residues near the active site only increases the folding-only figure by a few percent. This strongly suggests that the majority of β-lactamase’s fitness is controlled by factors other than free energies. Overall, our results shed a bright light on to what extent the community is justified in using thermodynamic measures to infer protein fitness as well as how applicable modern computational techniques for predicting free energies will be to the large data sets of multiply-mutated proteins forthcoming.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Pooling Data Improves Multimodel IDF Estimates over Median-Based IDF Estimates: Analysis over the Susquehanna and Florida

Traditional multimodel methods for estimating future changes in precipitation intensity, duration, and frequency (IDF) curves rely on mean or median of models’ IDF estimates. Such multimodel estimates are impaired by large estimation uncertainty, shadowing their efficacy in planning efforts. Here, assuming that each climate model is one representation of the underlying data generating process, i.e., the Earth system, we propose a novel extension of current methods through pooling model data: (i) evaluate performance of climate models in simulating the spatial and temporal variability of the observed annual maximum precipitation (AMP), (ii) bias-correct and pool historical and future AMP data of reasonably performing models, and (iii) compute IDF estimates in a nonstationary framework from pooled historical and future model data. Pooling enhances fitting of the extreme value distribution to the data and assumes that data from reasonably performing models represent samples from the “true” underlying data generating distribution. Through Monte Carlo simulations with synthetic data, we show that return periods derived from pooled data have smaller biases and lesser uncertainty than those derived from ensembles of individual model data. We apply this method to NA-CORDEX models to estimate changes in 24-h precipitation intensity–frequency (PIF) estimates over the Susquehanna watershed and Florida peninsula. Our approach identifies significant future changes at more stations compared to median-based PIF estimates. The analysis suggests that almost all stations over the Susquehanna and at least two-thirds of the stations over the Florida peninsula will observe significant increases in 24-h precipitation for 2–100-yr return periods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1980

Orbit dynamics and geographical coverage capabilities of satellite-based solar occultation experiments for global monitoring of stratospheric constituents

Orbit dynamics of the solar occultation technique for satellite measurements of the Earth's atmosphere are described. A one-year mission is simulated and the orbit and mission design implications are discussed in detail. Geographical coverage capabilities are examined parametrically for a range of orbit conditions. The hypothetical mission is used to produce a simulated one-year data base of solar occultation measurements; each occultation event is assumed to produce a single number, or 'measurement' and some statistical properties of the data set are examined. A simple model is fitted to the data to demonstrate a procedure for examining global distributions of atmospheric constitutents with the solar occultation technique.

Brooks, D. R.↗

NASA NTRS1984

Non-nulling seven-hole probes for high angle flow measurement

This paper illustrates a method for calibrating seven-hole probes to measure local total and static pressures and relative flow angles of up to 70 degrees in subsonic compressible flows. The method of Latin Squares was used to statistically sample a large and otherwise unmanageable data set, thereby reducing to a minimum the number of data points required to construct a polynomial curve fit to the data. Calibration produces three-variable third order polynomials which permit all of the desired flow properties to be found explicitly from probe measured pressures. This method determines the flow angles to within 2 degrees and Mach number to within 0.04 with 95 percent certainty.

Gerner, A. A.↗

NASA NTRS1996

BATSE Observations of Gamma-Ray Burst Spectra: Low-Energy Behavior of Time-Averaged Spectra - Part 3

We analyze time-averaged spectra from 86 bright gamma-ray bursts from the first 5 years of the Burst And Transient Source Experiment (BATSE) on board the Compton Gamma Ray Observatory to determine whether the lowest energy data are consistent with a standard spectra form fit to the data at all energies. The BATSE Spectroscopy Detectors have the capability to observe photons as low as 5 keV. Using the gamma-ray burst locations obtained with the BATSE Large Area Detectors, the Spectroscopy Detectors' low-energy response can be modeled accurately. This, together with a postlaunch calibration of the lowest energy Spectroscopy Detector discriminator channel, which can lie in the range 5-20 keV, allows spectral deconvolution over a broad energy range, approx. 5 keV to 2 MeV. The additional coverage allows us to search for evidence of excess emission, or for a deficit, below 20 keV. While no burst has a significant (greater than or equal to 3 sigma) deficit relative to a standard spectra model, we find that 12 bursts have excess low-energy emission, ranging between 1.2 and 5.8 times the model flux, that exceeds 5 sigma in significance. This is evidence for an additional low-energy spectral component in at least some bursts, or for deviations from the power-law spectral form typically used to model gamma-ray bursts at energies below 100 keV.

Preece, R. D.↗

NASA NTRS2014

Global Free-tropospheric NO2 Abundances Derived Using a Cloud Slicing Technique from AURA OMI

We derive free-tropospheric NO2 volume mixing ratios (VMRs) by applying a cloud-slicing technique to data from the Ozone Monitoring Instrument (OMI) on the Aura satellite. In the cloud-slicing approach, the slope of the above-cloud NO2 column versus the cloud scene pressure is proportional to the NO2 VMR. In this work, we use a sample of nearby OMI pixel data from a single orbit for the linear fit. The OMI data include cloud scene pressures from the rotational-Raman algorithm and above-cloud NO2 vertical column density (VCD) (defined as the NO2 column from the cloud scene pressure to the top of the atmosphere) from a differential optical absorption spectroscopy (DOAS) algorithm. We compare OMI-derived NO2 VMRs with in situ aircraft profiles measured during the NASA Intercontinental Chemical Transport Experiment Phase B (INTEX-B) campaign in 2006. The agreement is generally within the estimated uncertainties when appropriate data screening is applied. We then derive a global seasonal climatology of free-tropospheric NO2 VMR in cloudy conditions. Enhanced NO2 in the free troposphere commonly appears near polluted urban locations where NO2 produced in the boundary layer may be transported vertically out of the boundary layer and then horizontally away from the source. Signatures of lightning NO2 are also shown throughout low and middle latitude regions in summer months. A profile analysis of our cloud-slicing data indicates signatures of lightning-generated NO2 in the upper troposphere. Comparison of the climatology with simulations from the global modeling initiative (GMI) for cloudy conditions (cloud optical depth less than10) shows similarities in the spatial patterns of continental pollution outflow. However, there are also some differences in the seasonal variation of free-tropospheric NO2 VMRs near highly populated regions and in areas affected by lightning-generated NOx.

NO2↗

DOE OSTI2021

Modeling HIV-1 Within-Host Dynamics After Passive Infusion of the Broadly Neutralizing Antibody VRC01

VRC01 is a broadly neutralizing antibody that targets the CD4 binding site of HIV-1 gp120. Passive administration of VRC01 in humans has assessed the safety and the effect on plasma viremia of this monoclonal antibody (mAb) in a phase 1 clinical trial. After VRC01 infusion, the plasma viral load in most of the participants was reduced but had particular dynamics not observed during antiretroviral therapy. In this paper, we introduce different mathematical models to explain the observed dynamics and fit them to the plasma viral load data. Based on the fitting results we argue that a model containing reversible Ab binding to virions and clearance of virus-VRC01 complexes by a two-step process that includes (1) saturable capture followed by (2) internalization/degradation by phagocytes, best explains the data. This model predicts that VRC01 may enhance the clearance of Ab-virus complexes, explaining the initial viral decay observed immediately after antibody infusion in some participants. Because Ab-virus complexes are assumed to be unable to infect cells, i.e., contain neutralized virus, the model predicts a longer-term viral decay consistent with that observed in the VRC01 treated participants. By assuming a homogeneous viral population sensitive to VRC01, the model provides good fits to all of the participant data. However, the fits are improved by assuming that there were two populations of virus, one more susceptible to antibody-mediated neutralization than the other.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Calibrating the SPECTACULAR constitutive model using legacy Sandia data for two filled epoxy systems: 828/CTBN/DEA/GMB and 828/DEA/GMB

The SPECTACULAR model is a development extension of the Simplified Potential Energy Clock (SPEC) model. Both models are nonlinear viscoelastic constitutive models used to predict a wide range of time-dependent behaviors in epoxies and other glass-forming materials. This report documents the procedures used to generate SPECTACULAR calibrations for two particulate-filled epoxy systems, 828/CTBN/DEA/GMB and 828/DEA/GMB. No previous SPECTACULAR or SPEC calibration exists for 828/CTBN/DEA/GMB, while a legacy SPEC calibration exists for 828/DEA/GMB. To generate the SPECTACULAR calibrations, a step-by-step procedure was executed to determine parameters in groups with minimal coupling between parameter groups. This procedure has often been deployed to calibrate SPEC, therefore the resulting SPECTACULAR calibration is backwards compatible with SPEC (i.e. none of the extensions specific to SPECTACULAR are used). The calibration procedure used legacy Sandia experimental data stored on the Polymer Properties Database website. The experiments used for calibration included shear master curves, isofrequency temperature sweeps under oscillatory shear, the bulk modulus at room temperature, the thermal strain during a temperature sweep, and compression through yield at multiple temperatures below the glass transition temperature. Overall, the calibrated models fit the experimental data remarkably well. However, the glassy shear modulus varies depending on the experiment used to calibrate it. For instance, the shear master curve, isofrequency temperature sweep under oscillatory shear, and the Young's modulus in glassy compression yield values for the glassy shear modulus at the reference temperature that vary by as much as 15 %. Also, for 828/CTBN/DEA/GMB, the temperature dependence of the glassy shear modulus when fit to the Young's modulus at different temperatures is approximately four times larger than when it is determined from the isofrequency temperature sweep under oscillatory shear. For 828/DEA/GMB, the temperature dependence of the shear modulus determined from the isofrequency temperature sweep under oscillatory shear accurately predicts the Young's modulus at different temperatures. When choosing values for the shear modulus, fitting the glassy compression data was prioritized. The new and legacy calibrations for 828/DEA/GMB are similar and appear to have been calibrated from the same data. However, the new calibration improves the fit to the thermal strain data. In addition to the standard calibrations, development calibrations were produced that take advantage of development features of SPECTACULAR , including an updated equilibrium Helmholtz free energy that eliminates undesirable behavior found in previous work. In addition to the previously mentioned experimental data, the development calibrations require data for the heat capacity during a stress-free temperature sweep to calibrate thermal terms.

36 MATERIALS SCIENCE↗