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At least 289 records · Page 16

Massive star-forming galaxies have converted most of their halo gas into stars

In the local Universe, the efficiency for converting baryonic gas into stars is very low. In dark matter halos where galaxies form and evolve, the average efficiency varies with galaxy stellar mass and has a maximum of about 20% for Milky-Way-like galaxies. The low efficiency at higher mass is believed to be the result of some quenching processes, such as the feedback from active galactic nuclei. We perform an analysis of weak lensing and satellite kinematics for SDSS central galaxies. Our results reveal that the efficiency is much higher, more than 60%, for a large population of massive star-forming galaxies around 10 11 M ⊙ . This suggests that these galaxies acquired most of the gas in their halos and converted it into stars without being significantly affected by quenching processes. This population of galaxies is not reproduced in current galaxy formation models, indicating that our understanding of galaxy formation is incomplete. The implications of our results on circumgalactic media, star-formation quenching, and disk galaxy rotation curves are discussed. We also examine systematic uncertainties in halo-mass and stellar-mass measurements that might influence our results.

79 ASTRONOMY AND ASTROPHYSICS↗

Scattering in black hole backgrounds and higher-spin amplitudes. Part II

We continue to investigate correspondences between, on the one hand, scattering amplitudes for massive higher-spin particles and gravitons in appropriate quantum-to-classical limits, and on the other hand, classical gravitational interactions of spinning black holes according to general relativity. We first construct an ansatz for a gravitational Compton amplitude, at tree level, constrained only by locality, crossing symmetry, unitarity and consistency with the linearized-Kerr 3-point amplitude, to all orders in the black hole’s spin. We then explore the extent to which a unique classical Compton amplitude can be identified by comparing with the results of the classical process of scattering long-wavelength gravitational waves off an exact Kerr black hole, determined by appropriate solutions of the Teukolsky equation. Up to fourth order in spin, we find complete agreement with a previously conjectured exponential form of the tree-level Compton amplitude. At higher orders, we extract tree-level contributions from the Teukolsky amplitude by an analytic continuation from a physical (a/GM < 1) to a particle-like (a/GM > 1) regime. Up to the sixth order in spin, we identify a unique conservative part of the amplitude which is insensitive both to the choice of boundary conditions at the black hole horizon and to branch choices in the analytic continuation. The remainder of the amplitude is determined modulo an overall sign from a branch choice, with the sign flipping under exchanging purely ingoing and purely outgoing boundary conditions at the horizon. Along the way, we make contact with novel applications of massive spinor-helicity variables pertaining to their relation to EFT operators and (spinning) partial amplitudes.

79 ASTRONOMY AND ASTROPHYSICS↗

High volume packing fraction TRISO-based fuel in light water reactors

We report that for a decade, fully ceramic microencapsulated (FCM) fuel, containing tri-structural isotropic (TRISO) fuel particles in a silicon carbide (SiC) matrix, has been investigated as an accident-tolerant fuel for light water reactors (LWRs). Other examples exist of TRISO-based concepts for LWR fuels with different matrix materials. Previous studies assumed TRISO particle volume packing of approximately 0.44 in SiC (or another) matrix, the highest realistic packing fractions possible with conventional manufacturing. Recent advances in advanced manufacturing have yielded the development and demonstration of a fuel form that consists of conventionally manufactured TRISO particles in a 3D-printed SiC matrix with significantly higher possible TRISO packing fractions (0.5–0.7). This increased uranium loading enhances the viability of using TRISO-based particle fuel forms in LWRs. The viability of high-packing-fraction TRISO-based particle fuel forms in LWRs is assessed from the perspective of fuel cycle length, achievable fuel burnup, reactivity coefficients, and fuel cycle performance. Higher-packing-fraction TRISO-based fuel enables either longer cycle lengths (by ~25% at a packing fraction of 0.55 relative to 0.44) at a constant enrichment or decreased enrichments (by ~25% at a packing fraction of 0.55 relative to 0.44) at a constant cycle length. Studies of different fuel kernel types (uranium nitride, uranium oxycarbide, and uranium carbide) yield similar results, although the cycle length of uranium oxycarbide is shorter than for uranium nitride or uranium carbide (due to the lower density of uranium oxide). This work also characterized the production of 14 C resulting from neutron absorption in 14 N during operation for uranium mononitride fuel kernels; the ratio of 14 C/N was 1–2 at. % at discharge. For the fuel cycle evaluation, the activity of spent nuclear fuel and high-level waste at 100 and 100,000 years was lower for high-packing-fraction fuels than for conventional LWR fuel. Environmental impact metrics were similar overall, but higher on the front end of the fuel cycle and lower on the back end of the fuel cycle. Reactivity coefficients of higher-packing-fraction TRISO-based fuel were reasonable compared with those of conventional fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Intrinsic magnetism in KTaO3 heterostructures

There has been intense recent interest in the two-dimensional electron gases (2DEGs) that form at the surfaces and interfaces of KTaO3 (KTO), with the discovery of superconductivity at temperatures significantly higher than those of similar 2DEGs based on SrTiO3 (STO). Like STO heterostructures, these KTO 2DEGs are formed by depositing an overlayer on top of appropriately prepared KTO surfaces. Some of these overlayers are magnetic, and the resulting 2DEGs show signatures of this magnetism, including hysteresis in the magnetoresistance (MR). Here, we show that KTO 2DEGs fabricated by depositing AlOx on top of KTO also show hysteretic MR, indicative of long-range magnetic order, even though the samples nominally contain no intrinsic magnetic elements. The hysteresis appears in both the transverse and longitudinal resistance in magnetic fields both perpendicular to and in the plane of the 2DEG. The hysteretic MR has different characteristic fields and shapes for surfaces of different crystal orientations and vanishes above a few Kelvin. Density functional theory (DFT) calculations indicate that the magnetism likely arises from Ta4+ local moments created in the presence of oxygen vacancies.

Physics↗

The SARS-CoV-2 Spike Variant D614G Favors an Open Conformational State

The COVID-19 pandemic underwent a rapid transition with the emergence of a dominant viral variant (from the “D-form” to the “G-form”) that carried an amino acid substitution D614G in its “Spike” protein. The G-form is more infectious in vitro and associated with increased viral loads. To gain insight into the molecular-level underpinnings of these characteristics, we employed microsecond all-atom simulations. Here we show that changes in the protein energetics favor a higher population of infection-capable (open) states through release of hydrogen bonds of an asymmetry present in the D-form but not the G-form. Thus, the increased infectivity of the G-form is likely due to a higher rate of profitable binding encounters with the host receptor. It is also predicted to be more neutralization sensitive due to enhanced exposure of the receptor binding domain, a key target region for neutralizing antibodies. These results are significant for vaccine design. The Molecular Dynamics Simulations datasets generated in this study, namely that of the soluble form SARS-CoV-2 Spike protein are made available here. Details of the trajectory and supporting files are given in the README.txt file.

59 BASIC BIOLOGICAL SCIENCES↗

An exploratory study on helium mobility in amorphous and crystallized bulk metallic glasses

In this study, Zr 52.5 Cu 17.9 Ni 14.6 Al 10 Ti 5 and Cu 60 Zr 20 Hf 10 Ti 10 amorphous and crystallized bulk metallic glasses (BMGs) were implanted at room temperature by 150 keV 3 He + ions to fluences of 2 × 10 15 cm -2 and 5 × 10 15 cm -2 , producing peak implanted He concentrations of ~1,100 and 3,500 appm, respectively. Nuclear reaction analysis (NRA) performed on post-implantation annealed samples at various temperatures between 250 and 600 °C (~0.30 to 0.75 of the absolute melting temperature T m of the BMGs) revealed no appreciable He migration. Complementary thermal desorption spectroscopy (TDS) on as-implanted samples, which involved in situ annealing, showed appreciable He release only at temperatures higher than ~700 °C (~0.76-0.90 T m ) in all the samples. Half or more of the implanted He did not desorb up to the maximum investigated TDS annealing temperature of 770 °C (~0.85-0.97 T m ). The lack of pronounced He diffusion up to 600 °C as observed from the NRA and TDS data was attributed to He trapping in free volume sites present in the BMGs, which seems to play a similar role to vacancies in crystalline materials. It was also observed that in both the amorphous and crystallized forms of the Zr BMG, the sample implanted to the lower fluence released more He as compared to the sample implanted with a higher fluence. The crystalline forms of both the Cu and Zr BMGs released more He as compared to their amorphous counterparts.

36 MATERIALS SCIENCE↗

A Comprehensive Characterization of Galaxy-cool CGM Connections at z < 0.4 with DESI Year 1 Data

We investigate the relationships between the cool circumgalactic medium (CGM), traced by Ca II absorption lines, and galaxy properties at z < 0.4 using ∼900,000 galaxy–quasar pairs within 200 kpc from the Year 1 data of the Dark Energy Spectroscopic Instrument (DESI). This large data set enables us to obtain composite spectra with sensitivity reaching to the mÅ level and to explore the Ca II absorption as a function of stellar mass, star formation rate (SFR), redshift, and galaxy types, including active galactic nuclei (AGNs). Our results show a positive correlation between the absorption strength and stellar mass of star-forming galaxies with $\langle$$W$$^{Ca II}_{0}$$\rangle$ α $M$$^{0.5}_{*}$ over 3 orders of magnitude in stellar mass from ∼10 8 to 10 11 M ⊙ , while such a mass dependence is weaker for quiescent galaxies. At a fixed mass, Ca II absorption is stronger around star-forming galaxies than quiescent ones especially within impact parameters <30 kpc. Among star-forming galaxies, the Ca II absorption further correlates with SFR, following ∝SFR 0.3 . However, in contrast to the results at higher redshifts, stronger absorption is not preferentially observed along the minor axis of star-forming galaxies, indicating a possible redshift evolution of CGM dynamics resulting from galactic feedback. Moreover, no significant difference between the properties of the cool gas around AGNs and galaxies is detected. Finally, we measure the absorption profiles with respect to the virial radius of dark matter halos and show that the total Ca II mass in the CGM is comparable to the Ca mass in the ISM of galaxies.

Circumgalactic medium↗

Ultraviolet spectra of extreme nearby star-forming regions: Evidence for an overabundance of very massive stars

ABSTRACT As deep spectroscopic campaigns extend to higher redshifts and lower stellar masses, the interpretation of galaxy spectra depends increasingly upon models for very young stellar populations. Here we present new HST/COS ultraviolet spectroscopy of seven nearby (<120 Mpc) star-forming regions hosting very young stellar populations (∼4–20 Myr) with optical Wolf–Rayet stellar wind signatures, ideal laboratories in which to benchmark these stellar models. We detect nebular C iii] in all seven, but at equivalent widths uniformly <10 Å. This suggests that even for very young stellar populations, the highest equivalent width C iii] emission at ≥15 Å is reserved for inefficiently cooled gas at metallicities at or below that of the SMC. The spectra also reveal strong C iv P-Cygni profiles and broad He ii emission formed in the winds of massive stars, including some of the most prominent He ii stellar wind lines ever detected in integrated spectra. We find that the latest stellar population synthesis prescriptions with improved treatment of massive stars nearly reproduce the entire range of stellar He ii wind strengths observed here. However, we find that these models cannot simultaneously match the strongest wind features alongside the optical nebular line constraints. This discrepancy can be naturally explained by an overabundance of very massive stars produced by a high incidence of binary mass transfer and mergers occurring on short ≲10 Myr time-scales, suggesting these processes may be crucial for understanding systems dominated by young stars both nearby and in the early Universe.

Senchyna, Peter↗

Characterization of Oral Candida spp. Biofilms in Children and Adults Carriers from Eastern Europe and South America

Background: Candida albicans and non-Candida albicans Candida species (NCACs) are known to colonize and invade various tissues, including the oral mucosa. In this work, we aimed to characterize mature biofilms of several Candida spp. clinical isolates (n = 33) obtained from the oral mucosa of children, adults, and elders of Eastern Europe and South America. Methods: Each strain was evaluated for its capacity to form biofilms in terms of total biomass using the crystal violet assay and for matrix components production (proteins and carbohydrates) using the BCA and phenol-sulfuric tests, respectively. The effect of different antifungals on biofilm formation was studied. Results: in the children’s group, a predominance of C. krusei (81%) was observed, while, among adults, the main species was C. albicans (59%). Most strains showed a reduced response to antimicrobial drugs when in biofilm form (p < 0.01). Moreover, it was observed that strains isolated from children produced more matrix, with higher levels of protein and polysaccharides. Conclusions: children were more likely to be infected by NCACs than adults. More importantly, these NCACs were able to form biofilms richer in matrix components. This finding is of clinical importance, particularly in pediatric care, since stronger biofilms are highly associated with antimicrobial resistance, recurrent infections, and higher therapeutic failure.

Alves, Anelise Maria Costa Vasconcelos (ORCID:0000↗

Hole-Trapping-Induced Stabilization of Ni 4+ in SrNiO 3 /LaFeO 3 Superlattices

Creating new functionality in materials containing transition metals is predicated on our ability to control the associated charge states. For a given metal, forming lower oxidation states is typically easier than generating higher values, and there is an upper limit on valence that is not exceeded under normal conditions. Here we demonstrate that we can exceed the normal upper limit of 3+ for Ni and Fe via synthesis of (SrNiO 3 )m/(LaFeO 3 )n superlattices by tuning n and m. The Goldschmidt tolerance constraints are lifted and SrNi 4+ O 3 with holes on adjacent O anions can be stabilized as a perovskite at the single unit cell level (m = 1). Spectroscopy reveals that the n = 1 superlattice contains Ni 3+ and Fe 4+ , whereas Ni 4+ and Fe 3+ are observed in the n = 5 superlattice. Here, our results show that the B-site cation valences can be tuned by controlling the magnitude of the FeO6 octahedral rotations which in turn drive the energy balance between Ni 3+ /Fe 4+ and Ni 4+ /Fe 3+ , thus controlling emergent electrical properties such as the band alignment and resulting hole confinement. We suggest that this approach may be generally useful for synthesizing novel, metastable layered structures with new functionalities.

36 MATERIALS SCIENCE↗

Grain size dependence of thermally induced oxidation in zirconium carbide

Here complementary analytical approaches were employed to probe the effect of grain size on thermally induced oxidation of zirconium carbide (ZrC) utilizing thermogravimetric analysis, differential scanning calorimetry, and Raman spectroscopy, as well as synchrotron-based and laboratory-based X-ray diffraction (XRD) experiments. The oxidation mechanism and phase behavior of nanocrystalline ZrC (grain size ~ 20 nm) were compared with that of the more documented microcrystalline ZrC (grain size ~ 1 µm). Synchrotron XRD at the Advanced Photon Source with a hydrothermal diamond anvil cell (HDAC) used as a sample chamber revealed that the onset of oxidation is at ~ 380 °C for microcrystalline ZrC which is in agreement with previous work. In contrast, the critical oxidation temperature was ~ 330 °C for nanocrystalline ZrC. Additional high-temperature synchrotron XRD experiments at the National Synchrotron Light Source II using a lamp furnace in combination with Raman analysis showed that tetragonal ZrO 2 forms as an initial oxidation product and transforms at higher temperatures to the monoclinic phase. Thermogravimetric analysis (TGA) coupled with differential scanning calorimetry (DSC) confirmed the X-ray results of a lower critical oxidation temperature for the nanocrystalline sample. The phase transformations in the oxide phase with associated critical temperatures were also evident in the thermodynamic data as exothermic heat events.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The role of Li doping in layered/layered Na x Li y Ni 0.4 Fe 0.2 Mn 0.4 O 2 intergrowth electrodes for sodium ion batteries

Here, the layered NaTMO 2 (TM = Ni, Fe, Mn) materials with the O3-type structure are attractive as positive electrodes for sodium ion batteries because of their high theoretical capacity. Additionally, Li doping in these materials has been shown to offer substantial enhancements to their electrochemical properties by promoting the formation of intergrowth structures, which are combinations of specific phases. However, the mechanism by which the intergrowth modifies the electrochemical properties is often unclear. Systematic variation of Li content in Na x Li y Ni 0.4 Fe 0.2 Mn 0.4 O 2 (NFM-Li y ) was conducted to identify its role in structural modification and electrochemical performance. Li contents of 0.15 and greater generate a layered/layered Na-O3/Li-O’3 intergrowth structure. 7 Li and 23 Na nuclear magnetic resonance and x-ray absorption spectroscopy identify that when the total solubility for alkali ions in the layered structure is exceeded, Li continues to form the Li-O’3 phase while the excess Na forms residual sodium compounds such as Na 2 O. Higher Li content is associated with improved capacity retention in the initial cycles from the superior stability of the mechanically linked NaO3/Li-O’3 structure that suppresses the P3 to OP2 phase transition during charge. However, high Li contents are associated with increased rates of parasitic side reactions that reduce long-term cycling stability. These side reactions are associated with the instability of the cathode-electrolyte interphase, which can be partially mitigated by atomic layer deposition (ALD) coating with alumina, which significantly enhances the capacity retention and Coulombic efficiency over many cycles. Overall, we find that the layered/layered Na-O3/Li-O’3 intergrowth structure is able to provide structural stability and suppress undesired phase transformations but is overwhelmed by the increased reactivity of the surface if not protected by surface coating.

25 ENERGY STORAGE↗

Modeling hyperbranched polymer formation via ATRP using dissipative particle dynamics

Hyperbranched polymers (HBPs) offer distinguishing, advantageous properties that arise from their distinctive complex topology. One of the effective approaches to the synthesis of hyperbranched structures involves the use of a branching initiator (inibramer) that is activated only after incorporation into a polymer chain. There remain, however, challenges in determining and characterizing the structures of the synthesized HBPs. Dissipative particle dynamics (DPD) was used to probe the effects of inibramer concentration, solvent concentration, and inibramer reactivity on the kinetics, molecular weight, and dispersity of HBPs. Additionally, DPD allows for direct observation of branched structures, which was not possible in previously reported Monte Carlo type simulations. It was found that higher inibramer concentrations led to faster monomer consumption while forming more dendritic structures with fewer defects. Additionally, high dispersities characteristic of HBP systems were found to originate from asymmetric propagation rates between inibramer-inibramer and inibramer-monomer reactions.

Biswas, Santidan↗

In Situ High-Temperature Synchrotron Diffraction Studies of (Fe,Cr,Al) 3 O 4 Spinels

The modeling of a loss-of-coolant-accident scenario involving nuclear fuels with FeCrAl cladding materials in consideration to replace a Zircaloy requires knowledge of the thermodynamics of oxidized structures. At temperatures higher than 1500 degrees C, oxidation of FeCrAl alloys forms (Fe,Cr,Al) 3 O 4 spinels. In situ high-energy X-ray diffraction in a conical nozzle levitator installed at beamline 6-ID-D of the APS was used to study the structural evolution of the oxides as a function of the temperature. Single-phase (spinel) and multiphase (spinel-corundum-FeAlO 3 ) regions are mapped as a function of the temperature for three different compositions of FeCrAl oxidation products. The thermal expansion coefficients and cation distribution in the spinel structure have been refined. The temperature at which complete melting of the fuel cladding is expected has been determined by the liquidus temperatures of the oxidized products to be between 1657 and 1834 degrees C in a 20% O 2 /Ar atmosphere using the cooling trace method. The liquidus temperature increases with increasing Al and Cr content in the spinel phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Surface and Bulk Stabilization of Silicon Anodes with Mixed-Multivalent Additives: Ca(TFSI) 2 and Mg(TFSI) 2

Here, silicon is drawing attention as the upcoming anode material for the next generation of lithium-ion batteries due to its higher capacity compared to commercial graphite. However, silicon anions formed during lithiation are highly reactive with binder and electrolyte components creating an unstable SEI layer and limiting the calendar life of silicon anodes. The reactivity of lithium silicide and the formation of an unstable SEI layer is mitigated by utilizing the use of a mixture of Ca and Mg multivalent cations as an electrolyte additive for Si anodes to improve their calendar life. The effect of mixed salts on the bulk and surface of silicon anodes was studied by multiple structural characterization techniques. Ca and Mg ions in the electrolyte formed relatively thermodynamically stable quaternary Li-Ca-Mg-Si Zintl phases in an in-situ fashion and more stable and denser SEI layer on the Si particles. These in turn protect silicon particles against side reactions with electrolytes in a coin cell. The full cell with the mixed cation electrolyte demonstrates enhanced calendar life performance with lower measured current and current leakage than that of the baseline electrolyte due to reduced side reactions. Electron Microscopy, HRXRD, and solid-state NMR results showed that electrodes with mixed cations tended to have less cracking on the electrode surface compared to Si electrodes with Gen2 + FEC and the presence of mixed cations enhances cation migration and formation of quaternary Zintl phases stabilizing bulk and forming a more stable SEI.

25 ENERGY STORAGE↗

Ethanol-Induced Condensation and Decondensation in DNA-Linked Nanoparticles: A Nucleosome-like Model for the Condensed State

Inspired by the conventional use of ethanol to induce DNA precipitation, ethanol condensation has been applied as a routine method to dynamically tune “bond” lengths (i.e., the surface-to-surface distances between adjacent nanoparticles that are linked by DNA) and thermal stabilities of colloidal crystals involving DNA-linked nanoparticles. However, the underlying mechanism of how the DNA bond that links gold nanoparticles changes in this class of colloidal crystals in response to ethanol remains unclear. Here, we conducted a series of all-atom molecular dynamic (MD) simulations to explore the free energy landscape for DNA condensation and decondensation. Our simulations confirm that DNA condensation is energetically much more favorable under 80% ethanol conditions than in pure water, as a result of ethanol’s role in enhancing electrostatic interactions between oppositely charged species. Moreover, the condensed DNA adopts B-form in pure water and A-form in 80% ethanol, which indicates that the higher-order transition does not affect DNA’s conformational preferences. We further propose a nucleosome-like supercoiled model for the DNA condensed state, and we show that the DNA end-to-end distance derived from this model matches the experimentally measured DNA bond length of about 3 nm in the fully condensed state for DNA where the measured length is 16 nm in water. Altogether, this study provides an atomistic understanding of the mechanism underlying ethanol-induced condensation and water-induced decondensation, while our proposed nucleosome-like model allows the design of new strategies for interpreting experimental studies of DNA condensation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A mathematical model of solid-state dewetting of barium thin films on W (112)

Solid state dewetting occurs when a thin solid film is heated. The temperature of dewetting depends on the thickness of the film; dewetting can be observed in the range of 1/3 to 1/2 of the bulk melting temperature. While remaining solid, the film behaves in a manner similar to liquids dewetting and agglomerating to forming islands or droplets. One of the possible mechanisms is the conversion of a metastable thin film geometry into a more stable form. Heating the metastable film gives the film atoms higher mobility, and the films retract, dewetting the surface. This atomic motion can be restricted due to surface anisotropy. Herein we present in situ emission microscopy observations of barium thin films deposited onto W (112) by thermal evaporation. From the modeling viewpoint, the evolution of the film in this system could be divided in four stages: (i) the nucleation and growth of the thin film as a simply connected region; (ii) formation of droplets/islands/hillocks; (iii) nucleation of holes; (iv) evolution of the components of the disconnected film to their equilibrium state. We present a continuum model that is qualitatively consistent with the evolution of the film observed at the initial stage of the experiment and discuss the later stages of the evolution of surface structures.

36 MATERIALS SCIENCE↗

Direct current microplasma formation around microstructure arrays

We demonstrate the formation and transition behaviors of a microplasma around microstructure arrays at different gas pressures via two-dimensional particle-in-cell/Monte Carlo collision simulations. It is found that the microdischarge occurs outside the cathode microcavities at the lowest pressure and starts penetrating the microcavities with a curved sheath edge as the pressure increases. At higher pressure, coupled periodic microhollow cathode discharges (MHCDs) are formed inside the microcavities. Further increasing the gas pressure results in the disappearance of the MHCDs, and the dominant discharge shifts outside of the microcavity, locating above the protrusion tips. The effect of the space charge shielding on the discharge and the conditions for MHCD formation are discussed. The macroscopic discharge parameter scalings with the gas pressure and the electron kinetics are also examined. The results are helpful for deeply understanding the microplasma formation with nonplanar electrodes, which inform the scaling, design, and optimization of microplasma array devices across a wide range of pressure regimes in practical applications.

42 ENGINEERING↗