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DOE OSTI2023

Toward Accurate Modeling of Galaxy Clustering on Small Scales: Halo Model Extensions and Lingering Tension

This paper represents an effort to provide robust constraints on the galaxy–halo connection and simultaneously test the Planck ΛCDM cosmology using a fully numerical model of small-scale galaxy clustering. We explore two extensions to the standard Halo Occupation Distribution model: assembly bias, whereby halo occupation depends on both halo mass and the larger environment, and velocity bias, whereby galaxy velocities do not perfectly trace the velocity of the dark matter within the halo. Moreover, we incorporate halo mass corrections to account for the impact of baryonic physics on the halo population. We identify an optimal set of clustering measurements to constrain this "decorated" HOD model for both low- and high-luminosity galaxies in SDSS DR7. We find that, for low-luminosity galaxies, a model with both assembly bias and velocity bias provides the best fit to the clustering measurements, with no tension remaining in the fit. In this model, we find evidence for both central and satellite galaxy assembly bias at the 99% and 95% confidence levels, respectively. In addition, we find evidence for satellite galaxy velocity bias at the 99.9% confidence level. For high-luminosity galaxies, we find no evidence for either assembly bias or velocity bias, but our model exhibits significant tension with SDSS measurements. We find that all of these conclusions still stand when we include the effects of baryonic physics on the halo mass function, suggesting that the tension we find for high-luminosity galaxies may be due to a problem with our assumed cosmological model.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1993

CDM analysis

The C Data Manager (CDM) is an advanced tool for creating an object-oriented database and for processing queries related to objects stored in that database. The CDM source code was purchased and will be modified over the course of the Arachnid project. In this report, the modified CDM is referred to as MCDM. Using MCDM, a detailed series of experiments was designed and conducted on a Sun Sparcstation. The primary results and analysis of the CDM experiment are provided in this report. The experiments involved creating the Long-form Faint Source Catalog (LFSC) database and then analyzing it with respect to following: (1) the relationships between the volume of data and the time required to create a database; (2) the storage requirements of the database files; and (3) the properties of query algorithms. The effort focused on defining, implementing, and analyzing seven experimental scenarios: (1) find all sources by right ascension--RA; (2) find all sources by declination--DEC; (3) find all sources in the right ascension interval--RA1, RA2; (4) find all sources in the declination interval--DEC1, DEC2; (5) find all sources in the rectangle defined by--RA1, RA2, DEC1, DEC2; (6) find all sources that meet certain compound conditions; and (7) analyze a variety of query algorithms. Throughout this document, the numerical results obtained from these scenarios are reported; conclusions are presented at the end of the document.

Larson, Robert E.↗

NASA NTRS1993

LDEF materials overview

The flight and retrieval of the National Aeronautics and Space Administration's Long Duration Exposure Facility (LDEF) provided an opportunity for the study of the low-Earth orbit (LEO) environment and long-duration space environmental effects (SEE) on materials that is unparalleled in the history of the U.S. Space Program. The 5-year, 9-month flight of LDEF greatly enhanced the potential value of all materials on LDEF to the international SEE community, compared to that of the original 1-year flight plan. The remarkable flight attitude stability of LDEF enables specific analyses of individual and combined effects of LEO environmental parameters on identical materials on the same space vehicle. NASA recognized this potential by forming the LDEF Space Environmental Effects on Materials Special Investigation Group (MSIG) to address the greatly expanded materials and LEO space environment analysis opportunities available in the LDEF structure, experiment trays, and corollary measurements so that the combined value of all LDEF materials data to current and future space missions will be addressed and documented. An overview of the interim LDEF materials findings of the principal investigators and the Materials Special Investigation Group is provided. These revelations are based on observations of LEO environmental effects on materials made in space during LDEF retrieval and during LDEF tray deintegration at the Kennedy Space Center, and on findings of approximately 1.5 years of laboratory analyses of LDEF materials by the LDEF materials scientists. These findings were extensively reviewed and discussed at the MSIG-sponsored LDEF Materials Workshop '91. The results are presented in a format that categorizes the revelations as 'clear findings' or 'obscure preliminary findings' (and progress toward their resolution), plus resultant needs for new space materials developments and ground simulation testing/analytical modeling, in seven categories: materials/environmental parameters and data bases; LDEF contamination; thermal control coatings and protective treatments; polymers and films; polymer-matrix composites; metals, ceramics, and optical materials; and systems-related materials. The utilization of LDEF materials data for future low-Earth orbit missions is also discussed, concentrating on Space Station Freedom. In general, the LDEF data is remarkably consistent; LDEF will provide a 'benchmark' for materials design data bases for satellites in low-Earth orbit. Some materials were identified to be encouragingly resistant to LEO SEE for 5.8-years; other 'space qualified' materials displayed significant environmental degradation. General contamination levels on LDEF were low, but molecular contamination was widespread; LDEF offers an unprecedented opportunity to provide a unified perspective of unmanned LEO spacecraft contamination mechanisms. New material development requirements for long-term LEO missions were identified and current ground simulation testing methods/data for new, durable materials concepts can be validated with LDEF results. LDEF findings are already being integrated into the design of Space Station Freedom.

Stein, Bland A.↗

NASA NTRS1995

A multiparametric analysis of the Einstein sample of early-type galaxies. 1: Luminosity and ISM parameters

We have conducted bivariate and multivariate statistical analysis of data measuring the luminosity and interstellar medium of the Einstein sample of early-type galaxies (presented by Fabbiano, Kim, & Trinchieri 1992). We find a strong nonlinear correlation between L(sub B) and L(sub X), with a power-law slope of 1.8 +/- 0.1, steepening to 2.0 +/- if we do not consider the Local Group dwarf galaxies M32 and NGC 205. Considering only galaxies with log L(sub X) less than or equal to 40.5, we instead find a slope of 1.0 +/- 0.2 (with or without the Local Group dwarfs). Although E and S0 galaxies have consistent slopes for their L(sub B)-L(sub X) relationships, the mean values of the distribution functions of both L(sub X) and L(sub X)/L(sub B) for the S0 galaxies are lower than those for the E galaxies at the 2.8 sigma and 3.5 sigma levels, respectively. We find clear evidence for a correlation between L(sub X) and the X-ray color C(sub 21), defined by Kim, Fabbiano, & Trinchieri (1992b), which indicates that X-ray luminosity is correlated with the spectral shape below 1 keV in the sense that low-L(sub X) systems have relatively large contributions from a soft component compared with high-L(sub X) systems. We find evidence from our analysis of the 12 micron IRAS data for our sample that our S0 sample has excess 12 micron emission compared with the E sample, scaled by their optical luminosities. This may be due to emission from dust heated in star-forming regions in S0 disks. This interpretation is reinforced by the existence of a strong L(sub 12)-L(sub 100) correlation for our S0 sample that is not found for the E galaxies, and by an analysis of optical-IR colors. We find steep slopes for power-law relationships between radio luminosity and optical, X-ray, and far-IR (FIR) properties. This last point argues that the presence of an FIR-emitting interstellar medium (ISM) in early-type galaxies is coupled to their ability to generate nonthermal radio continuum, as previously argued by, e.g., Walsh et al. (1989). We also find that, for a given L(sub 100), galaxies with larger L(sub X)/L(sub B) tend to be stronger nonthermal radio sources, as originally suggested by Kim & Fabbiano (1990). We note that, while L(sub B) is most strongly correlated with L(sub 6), the total radio luminosity, both L(sub X) and L(sub X)/L(sub B) are more strongly correlated with L(sub 6 CO), the core radio luminosity. These points support the argument (proposed by Fabbiano, Gioia, & Trinchieri 1989) that radio cores in early-type galaxies are fueled by the hot ISM.

Eskridge, Paul B.↗

NASA NTRS2000

Aerospace Safety Advisory Panel Annual Report for 1999

This report covers the activities of the Aerospace Safety Advisory Panel (ASAP) for the calendar year 1999.This was a year of notable achievements and significant frustrations. Both the Space Shuttle and International Space Station (ISS) programs were delayed.The Space Shuttle prudently postponed launches after the occurrence of a wiring short during ascent of the STS-93 mission. The ISS construction schedule slipped as a result of the Space Shuttle delays and problems the Russians experienced in readying the Service Module and its launch vehicle. Each of these setbacks was dealt with in a constructive way. The STS-93 short circuit led to detailed wiring inspections and repairs on all four orbiters as well as analysis of other key subsystems for similar types of hidden damage. The ISS launch delays afforded time for further testing, training, development, and contingency planning. The safety consciousness of the NASA and contractor workforces, from hands-on labor to top management, continues high. Nevertheless, workforce issues remain among the most serious safety concerns of the Panel. Cutbacks and reorganizations over the past several years have resulted in problems related to workforce size, critical skills, and the extent of on-the-job experience. These problems have the potential to impact safety as the Space Shuttle launch rate increases to meet the demands of the ISS and its other customers. As with last year's report, these work- force-related issues were considered of sufficient import to place them first in the material that follows. Some of the same issues of concern for the Space Shuttle and ISS arose in a review of the launch vehicle for the Terra mission that the Panel was asked by NASA to undertake. Other areas the Panel was requested to assess included the readiness of the Inertial Upper Stage for the deployment of the Chandra X-ray Observatory and the possible safety impact of electromagnetic effects on the Space Shuttle. The findings and recommendations in this report do not highlight any major, immediate issues that might compromise the safe pursuit of the various NASA programs. They do, however, cover concerns that the Panel believes should be addressed in the interest of maintaining NASA's excellent safety record.The Panel is pleased to note that remedial efforts for some of the findings raised are underway. Given appropriate funding and cooperative efforts among the Administration, the Congress and the various contractors, the Panel is convinced that safety problems can be avoided or solved resulting in lower risk for NASA's human space and aeronautics programs. Section II of this report contains specific findings and recommendations generated by Panel activities during the calendar year 1999. Section III presents more detailed information in support of these findings and recommendations. A current roster of Panel members, consultants, and staff is included as Appendix A. Appendix B contains NASA's response to the findings and recommendations from the 1998 annual report. It has been augmented this year to include brief explanations of why the Panel classified the NASA response as " open,""continuing," or "closed." Appendix C lists the fact-finding activities of the Panel in 1999.

Blomberg, Richard D.↗

NASA NTRS1998

Comparison of MPEG digital video with super VHS tape for diagnostic echocardiographic readings

BACKGROUND: Digital recording of echocardiographic studies is on the clinical horizon. However, full digital capture of complete echocardiographic studies in traditional video format is impractical, given current storage capacity and network bandwidth. To overcome these constraints, we evaluated the diagnostic image quality of digital video by using MPEG (Motion Picture Experts Group) compression. METHODS AND RESULTS: Fifty-eight complete, consecutive studies were recorded simultaneously with the use of MPEG-1 and sVHS videotape. Each matched MPEG and sVHS study pair was reviewed by two from a total of six readers, and findings were recorded with the use of a detailed, computerized reporting tool. Intrareader and interreader discrepancies were characterized as major or minor and analyzed in total and for specific subgroups of findings (left and right ventricular parameters, valvular insufficiency, and left ventricular regional wall motion). Intrareader discrepancies were reviewed by a consensus panel for agreement with either MPEG or sVHS findings. There was an exact concordance between MPEG and sVHS readings in 83% of findings. The majority of discrepancies were minor, with major discrepancies in only 2.7% of findings. There was no difference in the rate of consensus panel agreement with MPEG or sVHS for instances of intrareader discrepancy, either in total or for any subgroup of findings. Interreader discrepancy rates were nearly identical for both MPEG and sVHS. CONCLUSIONS: MPEG-1 digital video is equivalent to sVHS videotape for diagnostic echocardiography. MPEG increases the range of practical options for digital echocardiography and offers, for the first time, the advantages of digital recording in a familiar video format.

Non-NASA Center↗

NASA NTRS2008

Technology Infusion of CodeSonar into the Space Network Ground Segment (RII07): Software Assurance Symposium Technical Summary

Presents a source code analysis tool (CodeSonar) for use in the Space Network Ground Segment. The Space Network requires 99.9% proficiency and 97.0% availability of systems. Software has historically accounted for an annual average of 28% of the Space Network loss of availability and proficiency. CSCI A and CSCI B account for 42% of the previous eight months of software data loss. The technology infusion of CodeSonar into the Space Network Ground segment is meant to aid in determining the impact of the technology on the project both in the expenditure of effort and the technical results of the technology. Running a CodeSonar analysis and performing a preliminary review of the results averaged 3.5 minutes per finding (approximately 20 hours total). An additional 40 hours is estimated to analyze the 37 findings deemed too complex for the initial review. Using CodeSonar's tools to suppress known non-problems, delta tool runs will not repeat findings that have been marked as non-problems, further reducing the time needed for review. The 'non-interesting' finding rate of 70% is a large number, but filtering, search, and detailed contextual features of CodeSonar reduce the time per finding. Integration of the tool into the build process may also provide further savings by preventing developers from having to configure and operate the tool separately. These preliminary results show the tool to be easy to use and incorporate into the engineering process. These findings also provide significant potential improvements in proficiency and availability on the part of the software. As time-to-fix data become available a better cost trade can be made on person hours saved versus tool cost. Selective factors may be necessary to determine where best to apply CodeSonar to balance cost and benefits.

Benson, Markland J.↗

NASA NTRS2012

Revamping Spacecraft Operational Intelligence with Splunk

So what is Splunk? Instead of giving the technical details, which you can find online, I'll tell you what it did for me. Splunk slapped everything into one place, with one uniform format, and gave me the ability to forget about all these annoying details of where it is, how to parse it, and all that. Instead, I only need to interact with Splunk to find the data I need. This sounds simple and obvious, but it's surprising what you can do once you all of your data is indexed in one place. By having your data organized, querying becomes much easier. Let's say that I want to search telemetry for a sensor_name gtemp_1 h and to return all data that is at most five minutes old. And because Splunk can hook into a real ]time stream, this data will always be up-to-date. Extending the previous example, I can now aggregate all types of data into one view based in time. In this picture, I've got transaction logs, telemetry, and downlinked files all in one page, organized by time. Even though the raw data looks completely than this, I've defined interfaces that transform it into this uniform format. This gives me a more complete picture for the question what was the spacecraft doing at this particular time? And because querying data is simple, I can start with a big block of data and whiddle it down to what I need, rather than hunting around for the individual pieces of data that I need. When we have all the data we need, we can begin widdling down the data with Splunk's Unix-like search syntax. These three examples highlights my trial-and-error attempts to find large temperature changes. I begin by showing the first 5 temperatures, only to find that they're sorted chronologically, rather than from highest temperatures to lowest temperatures. The next line shows sorting temperatures by their values, but I find that that fs not really what I want either. I want to know the delta temperatures between readings. Looking through Splunk's user manual, I find the delta function, which lets me dynamically generate new information to use in my query. With that extra piece of information, I can now return only the telemetry readings where the temperature changed by at least 10. One other useful feature I'll mention is that all of these queries can be run through Splunk's API. So any scripting language you can think of can plug right in and make these queries. This gives us the ability to build a lot of new tools.

operational intelligence↗

NASA NTRS2017

HST WFC3 Observations of Uranus' 2014 Storm Clouds and Comparison with VLT/SINFONI and IRTF/Spex Observations

In November 2014 Uranus was observed with the Wide Field Camera 3 (WFC3) instrument of the Hubble Space Telescope as part of the Hubble 2020: Outer Planet Atmospheres Legacy program, OPAL. OPAL annually maps Jupiter, Uranus and Neptune (and will also map Saturn from 2018) in several visible near- infrared wavelength filters. The Uranus 2014 OPAL observations were made on the 89th November at a time when a huge cloud complex, first observed by de Pater et al. (2015) and subsequently tracked by professional and amateur astronomers (Sayanagi et al., 2016), was present at 30-40deg N. We imaged the entire visible atmosphere, including the storm system, in seven filters spanning 467924 nm, capturing variations in the coloration of Uranus clouds and also vertical distribution due to wavelength dependent changes in Rayleigh scattering and methane absorption optical depth. Here we analyse these new HST observations with the NEMESIS radiative-transfer and retrieval code in multiple-scattering mode to determine the vertical cloud structure in and around the storm cloud system. The same storm system was also observed in the H-band (1.4-1.8 micrometers) with the SINFONI Integral Field Unit Spectrometer on the Very Large Telescope (VLT) on 31st October and 11th November, reported by Irwin et al. (2016, 10.1016j.icarus.2015.09.010). To constrain better the cloud particle sizes and scattering properties over a wide wavelength range we also conducted a limb-darkening analysis of the background cloud structure in the 30-40deg N latitude band by simultaneously fitting: a) these HSTOPAL observations at a range of zenith angles; b) the VLTSINFONI observations at a range of zenith angles; and c) IRTFSpeX observations of this latitude band made in 2009 at a single zenith angle of 23deg, spanning the wavelength range 0.8-1.8 micrometers (Irwin et al., 2015, 10.1016j.icarus.2014.12.020). We find that the HST observations, and the combined HSTVLTIRTF observations at all locations are well modelled with a three-component cloud comprised of: 1) a vertically thin, but optically thick deep tropospheric cloud at a pressure of approximately 2 bars; 2) a methane-ice cloud based at the methane-condensation level of approximately 1.23 bar, with variable vertical extent; and 3) a vertically extended tropospheric haze, also based at the methane-condensation level of 1.23 bar. We find that modelling both haze and tropospheric cloud with particles having an effective radius of approximately 0.1 micron provides a good fit the observations, although for the tropospheric cloud, particles with an effective radius as large as 1.0 micron provide a similarly good fit. We find that the particles in both the tropospheric cloud and haze are more scattering at short wave- lengths, giving them a blue color, but are more absorbing at longer wavelengths, especially for the tropospheric haze. We find that the spectra of the storm clouds are well modelled by localized thickening and vertical extension of the methane-ice cloud. For the particles in the storm clouds, which we assume to be composed of methane ice particles, we find that their mean radii must lie somewhere in the range 0. 1 1. 0 m. We find that the high clouds have low integrated opacity, and that streamers reminiscent of convective thunderstorm anvils are confined to levels deeper than 1 bar. These results argue against vigorous moist convective origins for the cloud features.

atmospheres↗

DOE OSTI2022

Testing multiflavored ULDM models with SPARC

We perform maximum likelihood estimates (MLEs) for single and double flavor ultralight dark matter (ULDM) models using the Spitzer Photometry and Accurate Rotation Curves (SPARC) database. These estimates are compared to MLEs for several commonly used cold dark matter (CDM) models. By comparing various CDM models we find, in agreement with previous studies, that the Burkert and Einasto models tend to perform better than other commonly used CDM models. We focus on comparisons between the Einasto and ULDM models and analyze cases for which the ULDM particle masses are: free to vary; and fixed. For each of these analyses, we perform fits assuming the soliton and halo profiles are: summed together; and matched at a given radius. When we let the particle masses vary, we find a negligible preference for any particular range of particle masses, within $10^{-25}\,\text{eV}\leq m\leq10^{-19}\,\text{eV}$, when assuming the summed models. For the matched models, however, we find that almost all galaxies prefer particles masses in the range $10^{-23}\,\text{eV}\lesssim m\lesssim10^{-20}\,\text{eV}$. For both double flavor models we find that most galaxies prefer approximately equal particle masses. We find that the summed models give much larger variances with respect to the soliton-halo (SH) relation than the matched models. When the particle masses are fixed, the matched models give median and mean soliton and halo values that fall within the SH relation bounds, for most masses scanned. When the particle masses are fixed in the fitting procedure, we find the best fit results for the particle mass $m=10^{-20.5}\,\text{eV}$ (for the single flavor models) and $m_1=10^{-20.5}\,\text{eV}$, $m_2=10^{-20.2}\,\text{eV}$ for the double flavor, matched model. We discuss how our study will be furthered using a reinforcement learning algorithm.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Complement to thermodynamics of dyonic Taub-NUT-AdS spacetime

We examine the thermodynamics of Euclidean dyonic Taub-Nut/Bolt-AdS 4 black holes for a variety of horizon geometries to understand how gauge field regularity conditions influence the thermodynamic relations. We find several distinct features that distinguish the NUT-charged case from its dyonic Reissner-Nordstrom counterpart. For the Nut solution, the gauge field vanishes at the horizon and so regularity is ensured. For the Bolt solution we find that the norm of the gauge field is required to vanish at the horizon in order to satisfy both regularity and the first law of thermodynamics. This regularity condition yields a constraint on the electric and magnetic charges and so reduces cohomogeneity of the system; for spherical horizons, the regularity condition removing the Misner string singularity further reduces cohomogeneity. We observe that bolt solutions with increasing electric charge have positive heat capacity, but upon turning on the magnetic charge to make the solution dyonic, we find that the properties of the uncharged one are retained, having both positive and negative heat capacity. We also study the extremal Bolt solution, finding that Misner string disappears at the horizon in the zero temperature limit. We find that the extremal solution has finite-temperature-like behaviour, with the electric potential playing a role similar to temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Single-stage gradient-based stellarator coil design: Optimization for near-axis quasi-symmetry

Here we present a new coil design paradigm for magnetic confinement in stellarators. Our approach directly optimizes coil shapes and coil currents to produce a vacuum quasi-symmetric magnetic field with a target rotational transform on the magnetic axis. This approach differs from the traditional two-stage approach in which first a magnetic configuration with desirable physics properties is found, and then coils to approximately realize this magnetic configuration are designed. The proposed single-stage approach allows us to find a compromise between confinement and engineering requirements, i.e., find easy-to-build coils with good confinement properties. Using forward and adjoint sensitivities, we derive derivatives of the physical quantities in the objective, which is constrained by a nonlinear periodic differential equation. In two numerical examples, we compare different gradient-based descent algorithms and find that incorporating approximate second-order derivative information through a quasi-Newton method is crucial for convergence. We also explore the optimization landscape in the neighborhood of a minimizer and find many directions in which the objective is mostly flat, indicating ample freedom to find simple and thus easy-to-build coils.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Evaluation of Uncertainties in the Anthropogenic SO 2 Emissions in the USA from the OMI Point Source Catalog

Satellite remote sensing is a promising method of monitoring emissions that may be missing in inventories, but the accuracy of these estimates is often not clear. We demonstrate here a comprehensive evaluation of errors in anthropogenic sulfur dioxide (SO 2 ) emission estimates from NASA’s OMI point source catalog for the contiguous US by comparing emissions from the catalog with high-quality emission inventory data over different dimensions including size of individual sources, aggregate vs individual source errors, and potential bias in individual source estimates over time. For sources that are included in the catalog, we find that errors in aggregate (sum of error for all included sources) are relatively low. Errors for individual sources in any given year can be substantial, however, with over- or underestimates in terms of total error ranging from –80 to 110 kt (roughly 10–90th percentile). In this study, we find that these errors are not necessarily random over time and that there can be consistently positive or negative biases for individual sources. We did not find any overall statistical relationship between the degree of isolation of a source and bias, either at a 40 or 70 km scales. For a sub-set of sources where inventory emissions over a radius of 70 km around an OMI detection are larger than twice the emissions within 40 km, the OMI value is consistently overestimated. We find, as expected, that emission sources not included in the catalog are the largest aggregate source of difference between the satellite estimates and inventories, especially in more recent years where source emission magnitudes have been decreasing and note that trends in satellite detections do not necessarily track trends in total emissions. We find that the OMI-based SO 2 emissions are accurate in aggregate, when summed over a number of sources, but must be interpreted more cautiously at the individual source level. Similar analyses would be valuable for other satellite emission estimates; however, in many cases, the appropriate high-quality reference data may need to be generated.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Interfacial Ice Density Fluctuations Inform Surface Ice-Philicity

The propensity of a surface to nucleate ice or bind to ice is governed by its ice-philicity─its relative preference for ice over liquid water. However, the relationship between the features of a surface and its ice-philicity is not well understood, and for surfaces with chemical or topographical heterogeneity, such as proteins, their ice-philicity is not even well-defined. In the analogous problem of surface hydrophobicity, it has been shown that hydrophobic surfaces display enhanced low water-density (vapor-like) fluctuations in their vicinity. To interrogate whether enhanced ice-like fluctuations are similarly observed near ice-philic surfaces, here we use molecular simulations and enhanced sampling techniques. Using a family of model surfaces for which the wetting coefficient, k , has previously been characterized, we show that the free energy of observing rare interfacial ice-density fluctuations decreases monotonically with increasing k . By utilizing this connection, we investigate a set of fcc systems and find that the (110) surface is more ice-philic than the (111) or (100) surfaces. By additionally analyzing the structure of interfacial ice, we find that all surfaces prefer to bind to the basal plane of ice, and the topographical complementarity of the (110) surface to the basal plane explains its higher ice-philicity. Using enhanced interfacial ice-like fluctuations as a measure of surface ice-philicity, we then characterize the ice-philicity of chemically heterogeneous and topologically complex systems. In particular, we study the spruce budworm antifreeze protein (sbwAFP), which binds to ice using a known ice-binding site (IBS) and resists engulfment using nonbinding sites of the protein (NBSs). We find that the IBS displays enhanced interfacial ice-density fluctuations and is therefore more ice-philic than the two NBSs studied. We also find the two NBSs are similarly ice-phobic. By establishing a connection between interfacial ice-like fluctuations and surface ice-philicity, our findings thus provide a way to characterize the ice-philicity of heterogeneous surfaces.

crystals↗

DOE OSTI2025

Subglacial Discharge Effects on Antarctic Ice‐Shelf Basal Melt and the Southern Ocean in a Global, Coupled Ocean—Sea‐Ice Model

Subglacial freshwater from beneath Antarctica enters the ocean at depth, enhancing ice-shelf melting and affecting Southern Ocean properties. To study these effects in an Antarctic-wide context, we use a continental-scale subglacial hydrology model that calculates grounding line freshwater flux for a global, coupled ocean—sea-ice model. We find that subglacial discharge impacts melt rates primarily through continental shelf temperature modification, contrasting with findings from regional studies that do not permit large-scale adjustments. The consequence is that Antarctic melt rates scale with subglacial discharge more strongly than inferred from regional studies. We also find that the addition of buoyancy at depth facilitates heat upwelling to the surface, resulting in higher sea ice volume downstream of cold ice shelves and lower sea ice volume downstream of warm ice shelves. This highlights the drawbacks of simplifications in previous global studies that deposit Antarctic meltwater at the ocean surface and find uniform ocean surface cooling and sea-ice growth. While the patterns we find are robust, we conclude that the addition of subglacial discharge at present-day rates has a small effect on basal melt rates, hydrography, and sea ice. However, stronger discharge can have significant effects and can even accelerate a shift from low to high melting for ice shelves close to such a tipping point. Finally, the importance of feedbacks between enhanced cavity overturning and continental shelf conditions poses a complication for parameterizing subglacial discharge effects on melting for ice-sheet projections that do not include a coupled ocean component.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

BEYONDPLANCK XI. Bayesian CMB analysis with sample-based end-to-end error propagation

We present posterior sample-based cosmic microwave background (CMB) constraints from Planck LFI and WMAP observations as derived through global end-to-end Bayesian processing within the BeyondPlanck framework. We first use these samples to study correlations between CMB, foreground, and instrumental parameters, and we identify a particularly strong degeneracy between CMB temperature fluctuations and free-free emission on intermediate angular scales (400 ≲ ℓ ≲ 600), which is mitigated through model reduction, masking, and resampling. We compare our posterior-based CMB results with previous Planck products, and find generally good agreement, although with notably higher noise due to our exclusion of HFI data. We find a best-fit CMB dipole amplitude of 3362.7 ± 1.4 µK, in excellent agreement with previous Planck results. The quoted dipole uncertainty is derived directly from the sampled posterior distribution, and does not involve any ad hoc contributions for Planck instrumental systematic effects. Similarly, we find a temperature quadrupole amplitude of ${σ}_{2}^{TT}$ = 229 ± 97 µK 2 , which is in good agreement with previous results in terms of the amplitude, but the uncertainty is an order of magnitude larger than the naive diagonal Fisher uncertainty. Relatedly, we find lower evidence for a possible alignment between the quadrupole and octopole than previously reported due to a much larger scatter in the individual quadrupole coefficients, caused both by marginalizing over a more complete set of systematic effects, but also by our more conservative analysis mask required to mitigate the free-free degeneracy. For higher multipoles, we find that the angular temperature power spectrum is generally in good agreement with both Planck and WMAP. At the same time, we note that this is the first time the sample-based asymptotically exact Blackwell-Rao estimator has been successfully established for multipoles up to ℓ ≤ 600, and it now accounts for the majority of the cosmologically important information. Overall, this analysis demonstrates the unique capabilities of the Bayesian approach with respect to end-to-end systematic uncertainty propagation, and we believe it can and should play an important role in the analysis of future CMB experiments. Cosmological parameter constraints are presented in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Exploration of cross-beam energy transfer mitigation constraints for designing an ignition-scale direct-drive inertial confinement fusion driver

The compression of direct-drive inertial confinement fusion (ICF) targets is strongly impacted by cross-beam energy transfer (CBET), a laser-plasma instability that limits ablation pressure by redirecting laser energy outward and that is projected to be mitigated by laser bandwidth. Here, we explore various CBET mitigation constraints to guide the design of future ICF facilities. First, we find that the flat, Gaussian, and Lorentzian spectral shapes have similar CBET mitigation properties, and a flat shape with nine spectral lines is a good surrogate for what can be obtained with other spectral shapes. Then, we conduct a comprehensive study across energy scales and ignition designs. 3D hydrodynamic simulations are used to derive an analytical model for the expected CBET mitigation as a function of laser and plasma parameters. From this model, we study the bandwidth requirements of conventional and shock ignition designs across four different energy scales and find that they require between 0.5 and 3±0.2% relative bandwidth. Further, best mitigation is achieved when the beam radius over critical radius R b /R c is kept low during the drive while the plasma temperature is kept high. In a steady state, we find that the bandwidth required to mitigate 85% of CBET scales as (R b /R c ) 2.15 L n –0.58 I 0.7 , where L n is the density scale length, and I the laser intensity. Finally, we find that the chamber beam port layout does not influence CBET mitigation. In the case of a driver using many monochromatic beamlets, we find that ~10 beamlets per port is required, with diminishing returns above ~20.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo

Molecular hydrogen has the potential to significantly reduce the use of carbon dioxide emitting energy processes. However, hydrogen gas storage is a major bottleneck for its large-scale use as current storage methods are energy intensive. Among different storage methods, physisorbing molecular hydrogen at ambient pressure and temperatures is a promising alternative—particularly in light of the advancements in tunable lightweight nanomaterials and high throughput screening methods. Nonetheless, understanding hydrogen adsorption in well-defined nanomaterials remains experimentally challenging and reference information is scarce despite the proliferation of works predicting hydrogen adsorption. We focus on Li, Na, Ca, and K, decorated graphene sheets as substrates for molecular hydrogen adsorption, and compute the most accurate adsorption energies available to date using quantum diffusion Monte Carlo (DMC). Building on our previous insights at the density functional theory (DFT) level, we find that a weak covalent chemisorption of molecular hydrogen, known as Kubas interaction, is feasible on Ca decorated graphene according to DMC, in agreement with DFT. This finding is in contrast to previous DMC predictions of the 4H2/Ca+ gas cluster (without graphene) where chemisorption is not favored. However, we find that the adsorption energy of hydrogen on metal decorated graphene according to a widely used DFT method is not fully consistent with DMC. The reference adsorption energies reported herein can be used to find better work-horse methods for application in large-scale modeling of hydrogen adsorption. Furthermore, the implications of this work affect strategies for finding suitable hydrogen storage materials and high-throughput methods.

Chemistry↗