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DOE OSTI2023

Biphasic Janus Particles Explain Self-Healing in Pt–Pd Diesel Oxidation Catalysts

The addition of Pd to Pt-based diesel oxidation catalysts is known to enhance performance and restrict the anomalous growth of Pt nanoparticles when subjected to aging at high temperatures in oxidative environments. To gain a mechanistic understanding, we studied the transport of the mobile Pt and Pd species to the vapor phase, since vapor phase transport is the primary route for sintering in these catalysts. The results are surprising: there is a 30-fold drop in the effective vapor pressure of Pt in the Pt-Pd catalysts compared to monometallic Pt. At the same time, there is a significant enhancement in the vapor pressure of Pd, compared to PdO, which otherwise has a negligible vapor pressure at the aging temperature. Such behavior cannot be explained simply by alloying Pt and Pd in the metallic phase, or a core-shell morphology where a PdO shell covers a Pt core. Transmission electron microscopic examination of catalysts aged up to 50 h in air at 800 °C shows that the particles exhibit a biphasic “Janus”-like structure. The metal and oxide phases are conjoined, exposing a metal and an oxide face to the gas phase. The high mobility of the Pt and Pd allows them to be partitioned into the metal and oxide phases, in apparent thermodynamic equilibrium. The PdO helps to trap mobile PtO2 and as a result contains high concentrations of Pt oxide, consistent with its role in mitigating the transport of Pt to the vapor phase and preventing the growth of anomalously large particles. In turn, Pt allows Pd to remain metallic, allowing the catalyst to retain both metal and oxide functionality for catalysis. The regeneration of deactivated catalysts typically requires an external input, such as a change in the working environment from reducing to oxidizing or vice-versa. Here, we show that the mobile species, which are primary contributors to catalyst sintering are effectively returned to the active site, hence our use of the term “selfhealing”. The detailed insights into the inner workings of the Pt-Pd diesel oxidation catalysts can help provide clues to the design of robust and durable heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

3D simulations of inertial confinement fusion implosions part 2: systematic flow anomalies and impact of low modes on performances in OMEGA experiments

We present the first 3D radiation-hydrodynamic simulations of directly driven inertial confinement fusion implosions with an inline package for polarized crossed-beam energy transfer, which were used to assess the impact of the current distributed polarization rotators (DPRs) on OMEGA as well as other known sources of asymmetry. Applied to OMEGA implosions, the simulations predict bang times with no need for ad hoc multipliers, as well as yields—if you separately account for the impacts of imprint and fuel age. The magnitude of the flow is well reproduced when the low mode sources are large, whereas the modeling of the stalk is thought to be required to match the flow magnitude in the remaining cases. For the cases explored in more detail, polarized cross-beam energy transfer (CBET)—the only known systematic drive asymmetry, brought the results closest to the measured flow vectors. The remaining discrepancies are shown to be stemming from the limited knowledge of the laser pointing modes. For typical current levels of beam mispointing, power imbalance, target offset, and asymmetry caused by polarized CBET, low modes degrade the yield by more than 40%. The current strategy of attempting to compensate the mode-1 asymmetry with a preimposed target offset recovers only about one-third of the losses caused by the low modes due to the dynamic nature of the multiple asymmetries and the presence of low modes other than l = 1. Furthermore, addressing the root causes of the drive asymmetries is apt to be more beneficial. To that end, one possible solution to the specific issue of polarized CBET (10 µm DPRs) is shown to work well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Decomposition characteristics of C4F7N-based SF6-alternative gas mixtures

C4F7N [2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile]/CO2 gas mixtures are being developed as an eco-friendly electrical insulator to replace SF6, the most potent greenhouse industrial gaseous dielectric. However, recent studies have reported complicated and often conflicting decomposition pathways for C4F7N/CO2 gas mixtures, which has raised concerns. In this work, the decomposition characteristics of C4F7N/CO2 gas mixtures were studied comprehensively by both designed computations and experiments. Computations were performed starting from fundamental propositions of C4F7N/CO2 decompositions, which were further experimentally verified by pyrolysis, long-term thermal aging with/without catalytic materials (industrial-grade molecular sieves 4A), and electrical decomposition by spark discharge. The results of both computations and experiments suggest that in an ideal thermal decomposition, C4F7N is likely to decompose into C2F6 and small fluoronitriles first at high temperatures. The generation of C3F6 and C2N2 from C4F7N thermal decomposition at lower temperatures appears because of the catalytic effect of incompatible materials, for example, the industrial-grade molecular sieves 4A that we tested. The electron impact dissociation of C4F7N plays an important role in C4F7N electrical decomposition, leading to additional formation of distinctive small molecules of CF4 and C2N2 of low concentrations. It was pointed out based on a real arcing test in a load disconnector that the decomposition of C4F7N gas mixtures in real applications will be at a much moderate and manageable rate than what was obtained from the highly accelerated laboratory tests presented in this work. The signatures of decomposition products extracted in this study provide invaluable guidance for developing decomposition-based diagnosis and fixation of decomposition byproducts toward SF6-free power grids.

Physics↗

DOE OSTI2020

General H2O Outgassing Model Applicable to Silica-Filled Silicones

Moisture-induced agining and degradation are continuing concerns in long-term storage and use of silicone materials. The silica fillers frequently used to provide mechanical reinforcement in silicone formulations have a high affinity for H2O and act as a source of moisture outgassing later when placed in dry or vacuum applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

TOI-811b and TOI-852b: New Transiting Brown Dwarfs with Similar Masses and Very Different Radii and Ages from the TESS Mission

We report the discovery of two transiting brown dwarfs (BDs), TOI-811b and TOI-852b, from NASA’s Transiting Exoplanet Survey Satellite mission. These two transiting BDs have similar masses but very different radii and ages. Their host stars have similar masses, effective temperatures, and metallicities. The younger and larger transiting BD is TOI-811b at a mass of M {sub b} = 59.9 ± 13.0M {sub J} and radius of R {sub b} = 1.26 ± 0.06R {sub J}, and it orbits its host star in a period of P = 25.16551 ± 0.00004 days. We derive the host star’s age of 93{sub −29}{sup +61} Myr from an application of gyrochronology. The youth of this system, rather than external heating from its host star, is why this BD’s radius is relatively large. This constraint on the youth of TOI-811b allows us to test substellar mass–radius evolutionary models at young ages where the radius of BDs changes rapidly. TOI-852b has a similar mass at M {sub b} = 53.7 ± 1.4M {sub J} but is much older (4 or 8 Gyr, based on bimodal isochrone results of the host star) and is also smaller with a radius of R {sub b} = 0.83 ± 0.04R {sub J}. TOI-852b’s orbital period is P = 4.94561 ± 0.00008 days. TOI-852b joins the likes of other old transiting BDs that trace out the oldest substellar mass–radius evolutionary models where contraction of the BD’s radius slows and approaches a constant value. Both host stars have a mass of M {sub ⋆} = 1.32M {sub ⊙} ± 0.05 and differ in their radii, T {sub eff}, and [Fe/H], with TOI-811 having R {sub ⋆} = 1.27 ± 0.09R {sub ⊙}, T {sub eff} = 6107 ± 77 K, and [Fe/H] = + 0.40 ± 0.09 and TOI-852 having R {sub ⋆} = 1.71 ± 0.04R {sub ⊙}, T {sub eff} = 5768 ± 84 K, and [Fe/H] = + 0.33 ± 0.09. We take this opportunity to examine how TOI-811b and TOI-852b serve as test points for young and old substellar isochrones, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

In-depth quantitative proteomic characterization of organotypic hippocampal slice culture reveals sex-specific differences in biochemical pathways

Sex differences in the brain of mammals range from neuroarchitecture through cognition to cellular metabolism. The hippocampus, a structure mostly associated with learning and memory, presents high vulnerability to neurodegeneration and aging. Therefore, we explored basal sex-related differences in the proteome of organotypic hippocampal slice culture, a major in vitro model for studying the cellular and molecular mechanisms related to neurodegenerative disorders. Results suggest a greater prevalence of astrocytic metabolism in females and significant neuronal metabolism in males. The preference for glucose use in glycolysis, pentose phosphate pathway and glycogen metabolism in females and high abundance of mitochondrial respiration subunits in males support this idea. An overall upregulation of lipid metabolism was observed in females. Upregulation of proteins responsible for neuronal glutamate and GABA synthesis, along with synaptic associated proteins, were observed in males. In general, the significant spectrum of pathways known to predominate in neurons or astrocytes, together with the well-known neuronal and glial markers observed, revealed sex-specific metabolic differences in the hippocampus. TEM qualitative analysis might indicate a greater presence of mitochondria at CA1 synapses in females. These findings are crucial to a better understanding of how sex chromosomes can influence the physiology of cultured hippocampal slices and allow us to gain insights into distinct responses of males and females on neurological diseases that present a sex-biased incidence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Photometric and Kinematic Study of the Open Clusters SAI 44 and SAI 45

We carry out a detailed photometric and kinematic study of the poorly studied sparse open clusters SAI 44 and SAI 45 using ground-based BVR {sub c} I {sub c} data supplemented by archival data from Gaia eDR3 and Pan-STARRS. The stellar memberships are determined using a statistical method based on Gaia eDR3 kinematic data, and we found 204 members in SAI 44 while only 74 members are identified in SAI 45. The average distances to SAI 44 and SAI 45 are calculated to be 3670 ± 184 and 1668 ± 47 pc. The logarithmic age of the clusters are determined to be 8.82 ± 0.10 and 9.07 ± 0.10 yr for SAI 44 and SAI 45, respectively. The color–magnitude diagram of SAI 45 hosts an extended main-sequence turnoff (eMSTO). The apparent age spread is found to be similar to the apparent age spread predicted on the basis of the age spread and cluster age relation predicted by rotation models. This indicates that eMSTO is a stellar evolution rather than star formation phenomenon in SAI 45. We conclude that eMSTO in SAI 45 is mainly caused by the different rotation rates of stars as the SYCLIST synthetic population with different rotation rates was able to reproduce the observed eMSTO, and stars in the red part of the eMSTO were preferentially concentrated in the inner region, which again hints at different rotations being the reason for the extension in the upper MS. This finding supports the theory attributing the origin of eMSTO to the different rotations of eMSTO stars. The mass function slopes are obtained as -2.24 ± 0.66 and -2.58 ± 3.20 in the mass rages 2.426–0.990 M{sub ⊙} and 2.167–1.202 M{sub ⊙} for SAI 44 and SAI 45, respectively. SAI 44 exhibits the signature of mass segregation while we found weak evidence of mass segregation in SAI 45 possibly due to tidal stripping. The dynamical relaxation times of these clusters indicate that both clusters are in a dynamically relaxed state. Using the AD-diagram method, the apex coordinates are found to be ([[Formula]], -[[Formula]]) for SAI 44 and (-[[Formula]], -[[Formula]]) for SAI 45. The average space velocity components of the clusters SAI 44 and SAI 45 are calculated in units of km s{sup -1} as (-15.14 ± 3.90, -19.43 ± 4.41, -20.85 ± 4.57) and (28.13 ± 5.30, -9.78 ± 3.13, -19.59 ± 4.43), respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Hybrid epoxy–acrylate resins for wavelength-selective multimaterial 3D printing

Structures in nature have evolved to combine hard and soft materials in precise 3D arrangements, which imbues bulk properties and functionality that remain elusive to mimic synthetically. However, the potential for biomimetic analogs to seamlessly interface hard materials with soft surfaces for applications ranging from robotics and sealants to medical devices (e.g., prosthetics and wearable health monitors) has driven the demand for innovative chemistries and manufacturing approaches. Herein, we unveil a liquid resin for rapid, high resolution digital light processing (DLP) 3D printing of multimaterial objects with an unprecedented combination of strength, elasticity, and resistance to aging. Two enabling discoveries are the use of a covalently bound (hybrid) epoxy-acrylate monomer that precludes plasticization of soft domains and a wavelength-selective photosensitizer that accelerates cationic curing for hard domains. Using dual projection for multicolor DLP 3D printing (UV and violet light), several bioinspired metamaterial structures are fabricated, including one with hard springs embedded in a soft cylinder to adjust compressive behavior and a detailed knee joint featuring “bones” and “ligaments” for smooth motion. Lastly, the application of this system to facilitate selective stretching for electronic devices is demonstrated with a proof-of-concept device.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Possible impacts of molten salt reactors on the International Monitoring System

Molten salt reactors (MSRs) are gaining support as many countries look for ways to increase power generation and replace aging nuclear energy production facilities. MSRs have inherently safe designs, are scalable in size, can burn transuranic wastes from traditional solid fuel nuclear reactors, can store excess heat in thermal reservoirs for water desalination, and can be used to produce medical isotopes as part of the real-time liquid-fuel recycling process. The ability to remove 135 Xe in real time from the fuel improves the power production in an MSR because 135 Xe is the most significant neutron-absorbing isotope generated by nuclear fission. Xenon-135, and other radioactive gases, are removed by sparging the fuel with an inert gas while the liquid fuel is recirculated from the reactor inner core through the heat exchangers. Without effective abatement technologies, large amounts of radioactive gas could be released during the sparging process. This work examines the potential impact of radioxenon releases on samplers used by the International Monitoring System (IMS) to detect nuclear explosions. Here, atmospheric transport simulations from seven hypothetical MSRs on different continents were used to evaluate the holdup time needed before release of radioxenon so IMS samplers would register few detections. Abatement technologies that retain radioxenon isotopes for at least 120 d before their release will be needed to mitigate the impacts from a molten salt breeder reactor used to replace a nuclear power plant. A holdup time of about 150 d is needed to reduce emissions to the average level of current nuclear power plants.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2026

Heavy dark matter in rapidly evolving massive stars

We study the impact of heavy dark matter (DM) captured in massive stars via scattering(s) with the star constituents. We focus on the first stars and use stellar evolution simulations to track down how DM capture evolves over time from the zero-age main sequence to the late metal-rich stages of stellar evolution. During the early hydrogen-helium-dominated phase, the capture process is well described by scattering with two targets. As a star evolves, metal production leads to the formation of a dense core surrounded by a lighter envelope. The core significantly enhances the capture of ultra-heavy DM; in this case, three distinct nuclear species are required to accurately describe multiple-scattering capture. We use the Eddington inversion method to obtain a realistic DM velocity distribution, better suited when the star is near the center of a halo, than the widely used Maxwell-Boltzmann distribution. We find that heavy DM would be able to thermalize and achieve capture-annihilation equilibrium within a massive star's lifetime for regions of the parameter space not excluded by direct detection. For non-annihilating DM, because of the high amount of targets available for capture and despite massive stars being short-lived, it would even be possible for DM to achieve self-gravitation and collapse to a black hole, which eventually could swallow the star from within before the expected end of the star's life, for non-excluded regions of the parameter space. Our results highlight the dependence of DM capture on the stellar evolutionary stage, composition, and halo location, demonstrating that accurate modeling of massive stars is essential for constraining heavy DM with primordial stellar populations.

dark matter theory↗

DOE OSTI2023

Protein–protein interactions between tenascin-R and RPTPζ/phosphacan are critical to maintain the architecture of perineuronal nets

Neural plasticity, the ability to alter the structure and function of neural circuits, varies throughout the age of an individual. The end of the hyperplastic period in the central nervous system coincides with the appearance of honeycomb-like structures called perineuronal nets (PNNs) that surround a subset of neurons. PNNs are a condensed form of neural extracellular matrix that include the glycosaminoglycan hyaluronan and extracellular matrix proteins such as aggrecan and tenascin-R (TNR). PNNs are key regulators of developmental neural plasticity and cognitive functions, yet our current understanding of the molecular interactions that help assemble them remains limited. Disruption of Ptprz1, the gene encoding the receptor protein tyrosine phosphatase RPTPζ, altered the appearance of nets from a reticulated structure to puncta on the surface of cortical neuron bodies in adult mice. The structural alterations mirror those found in Tnr -/- mice, and TNR is absent from the net structures that form in dissociated cultures of Ptprz1 -/- cortical neurons. These findings raised the possibility that TNR and RPTPζ cooperate to promote the assembly of PNNs. Here, we show that TNR associates with the RPTPζ ectodomain and provide a structural basis for these interactions. Furthermore, we show that RPTPζ forms an identical complex with tenascin-C, a homolog of TNR that also regulates neural plasticity. Finally, we demonstrate that mutating residues at the RPTPζ–TNR interface impairs the formation of PNNs in dissociated neuronal cultures. Overall, this work sets the stage for analyzing the roles of protein–protein interactions that underpin the formation of nets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Stellar Neutrino Emission across the Mass–Metallicity Plane

We explore neutrino emission from nonrotating, single-star models across six initial metallicities and 70 initial masses from the zero-age main sequence to the final fate. Overall, across the mass spectrum, we find metal-poor stellar models tend to have denser, hotter, and more massive cores with lower envelope opacities, larger surface luminosities, and larger effective temperatures than their metal-rich counterparts. Across the mass–metallicity plane we identify the sequence (initial CNO → 14 N → 22 Ne → 25 Mg → 26 Al → 26 Mg → 30 P → 30 Si) as making primary contributions to the neutrino luminosity at different phases of evolution. For the low-mass models we find neutrino emission from the nitrogen flash and thermal pulse phases of evolution depend strongly on the initial metallicity. For the high-mass models, neutrino emission at He-core ignition and He-shell burning depends strongly on the initial metallicity. Antineutrino emission during C, Ne, and O burning shows a strong metallicity dependence with 22 Ne(α, n) 25 Mg providing much of the neutron excess available for inverse-β decays. We integrate the stellar tracks over an initial mass function and time to investigate the neutrino emission from a simple stellar population. We find average neutrino emission from simple stellar populations to be 0.5–1.2 MeV electron neutrinos. Lower metallicity stellar populations produce slightly larger neutrino luminosities and average β decay energies. This study can provide targets for neutrino detectors from individual stars and stellar populations. We provide convenient fitting formulae and open access to the photon and neutrino tracks for more sophisticated population synthesis models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

A Lyα Transit Left Undetected: the Environment and Atmospheric Behavior of K2-25b

K2-25b is a Neptune-sized exoplanet (3.45R {sub ⊕}) that orbits its M4.5 host with a period of 3.48 days. Due to its membership in the Hyades Cluster, the system has a known age (727 ± 75 Myr). K2-25b’s youth and its similarities with Gl 436b suggested that K2-25b could be undergoing strong atmospheric escape. We observed two transits of K2-25b at Lyα using HST/STIS in order to search for escaping neutral hydrogen. We were unable to detect an exospheric signature, but placed an upper limit of (R {sub p}/R {sub ⋆})∣{sub Ly α} < 0.56 at 95% confidence by fitting the light curve of the Lyα red wing, or < 1.20 in the blue wing. We reconstructed the intrinsic Lyα profile of K2-25 to determine its Lyα flux, and analyzed XMM-Newton observations to determined its X-ray flux. Based on the total X-ray and extreme ultraviolet irradiation of the planet (8763 ± 1049 erg s{sup −1} cm{sup −2}), we estimated the maximum energy-limited mass-loss rate of K2-25b to be 10.6{sub −6.13}{sup +15.2}×10{sup 10} g s{sup −1} (0.56M {sub ⊕} per 1 Gyr), five times larger than the similarly estimated mass-loss rate of Gl 436b (2.2 × 10{sup 10} g s{sup −1}). The photoionization time is about 3 hr, significantly shorter than Gl 436b’s 14 hr. A nondetection of a Lyα transit could suggest K2-25b is not significantly losing its atmosphere, or factors of the system are resulting in the mass loss being unobservable (e.g., atmosphere composition or the system’s large high-energy flux). Further observations could provide more stringent constraints.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents

Water-lean CO 2 capture solvents show promise for more efficient and cost-effective CO 2 capture, although their long-term behavior in operation has yet to be well studied. New observations of extended structure solvent behavior show that some solvent formulations transform into a glass-like phase upon aging at operating temperatures after contact with CO 2 . The glassification of a solvent would be detrimental to a carbon-capture process due to plugging of infrastructure, introducing a critical need to decipher the underlying principles of this phenomenon to prevent it from happening. In this work, we present the first integrated theoretical and experimental study to characterize the nano-structure of metastable and glassy states of an archetypal single-component alkanolguanidine carbon-capture solvent and assess how minute changes in atomic-level interactions convert the solvent between metastable and glass-like states. Small-angle neutron scattering and neutron diffraction coupled with small- and wide-angle X-ray scattering analysis demonstrate that minute structural changes in solution precipitae reversible aggregation of zwitterionic alkylcarbonate clusters in solution. Our findings indicate that our test system, an alkanolguanidine, exhibits a first-order phase transition, similar to a glass transition, at approximately 40 °C—close to the operating absorption temperature for post-combustion CO 2 capture processes. We anticipate that these phenomena are not specific to this system, but are present in other classes of colvents as well. We discuss how molecular-level interactions can have vast implications for solvent-based carbon-capture technologies, concluding that fortunately in this case, glassification of water-lean solvents can be avoided as long as the solvent is run above its glass transition temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Comparison of Spectroscopic Techniques for Determining the Peroxide Value of 19 Classes of Naturally Aged, Plant-Based Edible Oils

The peroxide value of edible oils is a measure of the degree of oxidation, which directly relates to the freshness of the oil sample. Several studies previously reported in the literature have paired various spectroscopic techniques with multivariate analyses to rapidly determine peroxide values using field portable and process instrumentation; those efforts presented “best-case scenarios” with oils from narrowly defined training and test sets. The purpose of this paper is to evaluate the use of near- and mid-infrared absorption and Raman scattering spectroscopies on oil samples from different oil classes, including seasonal and vendor variations, to determine which measurement technique or combination thereof is best for predicting peroxide values. Following peroxide value assays of each oil class using an established titration-based method, global and global-subset calibration models were constructed from spectroscopic data collected on the 19 oil classes used in this study. Spectra from each optical technique were used to create partial least squares regression calibration models to predict the peroxide value of unknown oil samples. A global peroxide value model based on near-infrared (8 mm optical path length) oil measurements produced the lowest RMSEP (4.9), followed by 24 mm optical path length near infrared (5.1), Raman (6.9) and 50 µm optical path length mid-infrared (7.3). However, it was determined that the Raman RMSEP resulted from chance correlations. Global peroxide value models based on low-level fusion of the NIR (8 and 24 mm optical path length) data and all infrared data produced the same RMSEP of 5.1. Global subset models, based on any of the spectroscopies and olive oil training sets from any class (pure, extra light, extra virgin), all failed to extrapolate to the non-olive oils. However, the near-infrared global subset model built on extra virgin olive oil could extrapolate to test samples from other olive oil classes. This work demonstrates the difficulty of developing a truly global method for determining peroxide value of oils.

36 MATERIALS SCIENCE↗

DOE OSTI2022

$\scriptsize\mathrm{{SQuIGG\overrightarrow{L}E}}$: Studying Quenching in Intermediate- z Galaxies—Gas, $\scriptsize\mathrm{{Angu\overrightarrow{L}ar}}$ Momentum, and Evolution

We describe the Studying Quenching in Intermediate-z Galaxies: Gas, $\scriptsize\mathrm{\rm{angu}}\overrightarrow{L}{\rm{ar}}$ momentum, and Evolution ($\scriptsize\mathrm{{SQuIGG\overrightarrow{L}E}}$) survey of intermediate-redshift post-starburst galaxies. We leverage the large sky coverage of the Sloan Digital Sky Survey to select ~1300 recently quenched galaxies at 0.5 < z ≤ 0.9 based on their unique spectral shapes. These bright, intermediate-redshift galaxies are ideal laboratories to study the physics responsible for the rapid quenching of star formation: they are distant enough to be useful analogs for high-redshift quenching galaxies, but low enough redshift that multiwavelength follow-up observations are feasible with modest telescope investments. We use the Prospector code to infer the stellar population properties and nonparametric star formation histories (SFHs) of all galaxies in the sample. We find that $\scriptsize\mathrm{{SQuIGG\overrightarrow{L}E}}$ galaxies are both very massive (M * ~ 10 11.25 M ⊙ ) and quenched, with inferred star formation rates ≲1 M ⊙ yr -1 , more than an order of magnitude below the star-forming main sequence. The best-fit SFHs confirm that these galaxies recently quenched a major burst of star formation: >75% of $\scriptsize\mathrm{{SQuIGG\overrightarrow{L}E}}$ galaxies formed at least a quarter of their total stellar mass in the recent burst, which ended just ~200 Myr before observation. We find that $\scriptsize\mathrm{{SQuIGG\overrightarrow{L}E}}$ galaxies are on average younger and more burst-dominated than most other z ≲ 1 post-starburst galaxy samples. This large sample of bright post-starburst galaxies at intermediate redshift opens a wide range of studies into the quenching process. In particular, the full $\scriptsize\mathrm{{SQuIGG\overrightarrow{L}E}}$ survey will investigate the molecular gas reservoirs, morphologies, kinematics, resolved stellar populations, active galactic nucleus incidence, and infrared properties of this unique sample of galaxies in order to place definitive constraints on the quenching process.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

SULI Intern Final Report: Computationally Investigating Hydrogen Thermo-Diffusion in Yttrium Hydride Using Multiscale Methods

The renaissance of nuclear energy has arrived, heralding an age of abundant inexpensive clean energy, and renewed space exploration. In nuclear-powered spacecraft and microreactors, safety and size are of utmost importance. Yttrium Hydride (YHx) is being researched for its utility as a neutron moderator in nuclear reactors; the hydrogen in YHx slows down neutrons, enabling a continuous nuclear reaction in the reactor. This has the benefit of allowing reactors to be more safe, compact, and efficient. The goal of this effort is to computationally predict the coefficient of temperature-dependent hydrogen diffusion within YHx, the Soret coefficient. This parameter is essential for determining the safe operating modes of YHx moderators. Zirconium Hydride (ZrHx) is used in the Training, Research, Isotopes, General Atomics (TRIGA) reactor, is the reference material for these calculations. In this work, nanoscale atomic modeling in the Vienna Ab initio Simulation Package (VASP) is combined with the mesoscale finite element phase-field module in the Multiphysics Object-Oriented Simulation Environment (MOOSE); this culminates in a new multiscale computational method to simulate Soret diffusion of hydrogen in YHx. This data is useful for predicting experimental outcomes. This workflow involves convergence testing followed by static, Nudged Elastic Band (NEB), Quasi-Harmonic Approximation (QHA), and Molecular Dynamics (MD) calculations - linked with phase field simulation. NEB simulates hydrogen migration, while QHA and MD predict temperature-dependent properties. The static calculations align with literature, and preliminary NEB and QHA calculations yield accurate results. Once the atomic calculations are complete, we will incorporate Electron Backscatter Diffraction (EBSD) images and VASP-generated parameters into the phase field module to simulate intra- and intergranular transport of hydrogen in ZrHx and YHx. Future research will extend our approach to fuel-moderator materials systems such as Uranium-Yttrium Hydride (U-YHx). This work contributes to the development of advanced nuclear energy solutions for space travel.

36 - MATERIALS SCIENCE↗

DOE OSTI2020

Spirometric traits show quantile-dependent heritability, which may contribute to their gene-environment interactions with smoking and pollution

Background: “Quantile-dependent expressivity” refers to a genetic effect that is dependent upon whether the phenotype (e.g., spirometric data) is high or low relative to its population distribution. Forced vital capacity (FVC), forced expiratory volume in 1 second (FEV 1 ), and the FEV 1 /FVC ratio are moderately heritable spirometric traits. The aim of the analyses is to test whether their heritability (h 2 ) is constant over all quantiles of their distribution. Methods: Quantile regression was applied to the mean age, sex, height and smoking-adjusted spirometric data over multiple visits in 9,993 offspring-parent pairs and 1,930 sibships from the Framingham Heart Study to obtain robust estimates of offspring-parent (β OP ), offspring-midparent (β OM ), and full-sib regression slopes (β FS ). Nonparametric significance levels were obtained from 1,000 bootstrap samples. β OP s were used as simple indicators of quantile-specific heritability (i.e.,h 2 = 2β OP /(1+r spouse ), where r spouse was the correlation between spouses). Results: β OP ± standard error (SE) decreased by 0.0009 ± 0.0003 (P = 0.003) with every one-percent increment in the population distribution of FEV 1 /FVC, i.e., β OP ± SE were: 0.182 ± 0.031, 0.152 ± 0.015; 0.136 ± 0.011; 0.121 ± 0.013; and 0.099 ± 0.013 at the 10th, 25th, 50th, 75th, and 90th percentiles of the FEV 1 /FVC distribution, respectively. These correspond to h 2 ± SEs of 0.350 ± 0.060 at the 10th, 0.292 ± 0.029 at the 25th, 0.262 ± 0.020 at the 50th, 0.234 ± 0.025 at the 75th, and 0.191 ± 0.025 at the 90th percentiles of the FEV 1 /FVC ratio. Maximum mid-expiratory flow (MMEF) h 2 ± SEs increased 0.0025 ± 0.0007 (P = 0.0004) with every one-percent increment in its distribution, i.e.: 0.467 ± 0.046, 0.467 ± 0.033, 0.554 ± 0.038, 0.615 ± 0.042, and 0.675 ± 0.060 at the 10th, 25th, 50th, 75th, and 90th percentiles of its distribution. This was due to forced expiratory flow at 75% of FVC (FEF75%), whose quantile-specific h 2 increased an average of 0.0042 ± 0.0008 for every one-percent increment in its distribution. It is speculated that previously reported gene-environment interactions may be partially attributable to quantile-specific h 2 , i.e., greater heritability in individuals with lower FEV 1 /FVC due to smoking or airborne particles exposure vs. nonsmoking, unexposed individuals. Conclusion: Heritabilities of FEV 1 /FVC, MMEF, and FEF75% from quantile-regression of offspring-parent and sibling spirometric data suggest their quantile-dependent expressivity.

59 BASIC BIOLOGICAL SCIENCES↗