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At least 649 records · Page 36

Rational design of mechanically robust Ni-rich cathode materials via concentration gradient strategy

Mechanical integrity issues such as particle cracking are considered one of the leading causes of structural deterioration and limited long-term cycle stability for Ni-rich cathode materials of Li-ion batteries. Indeed, the detrimental effects generated from the crack formation are not yet entirely addressed. Here, applying physicochemical and electrochemical ex situ and in situ characterizations, the effect of Co and Mn on the mechanical properties of the Ni-rich material are thoroughly investigated. As a result, we successfully mitigate the particle cracking issue in Ni-rich cathodes via rational concentration gradient design without sacrificing the electrode capacity. Our result reveals that the Co-enriched surface design in Ni-rich particles benefits from its low stiffness, which can effectively suppress the formation of particle cracking. Meanwhile, the Mn-enriched core limits internal expansion and improve structural integrity. The concentration gradient design also promotes morphological stability and cycling performances in Li metal coin cell configuration.

36 MATERIALS SCIENCE↗

Single-cell RNA sequencing reveals plasmid constrains bacterial population heterogeneity and identifies a non-conjugating subpopulation

Transcriptional heterogeneity in isogenic bacterial populations can play various roles in bacterial evolution, but its detection remains technically challenging. Here, we use microbial split-pool ligation transcriptomics to study the relationship between bacterial subpopulation formation and plasmid-host interactions at the single-cell level. We find that single-cell transcript abundances are influenced by bacterial growth state and plasmid carriage. Moreover, plasmid carriage constrains the formation of bacterial subpopulations. Plasmid genes, including those with core functions such as replication and maintenance, exhibit transcriptional heterogeneity associated with cell activity. Notably, we identify a cell subpopulation that does not transcribe conjugal plasmid transfer genes, which may help reduce plasmid burden on a subset of cells. Our study advances the understanding of plasmid-mediated subpopulation dynamics and provides insights into the plasmid-bacteria interplay.

59 BASIC BIOLOGICAL SCIENCES↗

Confinement-controlled selective CO 2 insertion into a dicopper dihydride core: A multiscale mechanistic study

CO 2 is an abundant C 1 feedstock for fuel and chemical synthesis. We have previously demonstrated experimentally a stepwise insertion of CO 2 into a [Cu 2 H 2 ] core via a solid–gas in crystallo reaction, forming formate species that are unstable and inaccessible under solution-phase conditions. This work elucidates how structural confinement within the crystal lattice enables such selective reactivity. In particular, co-crystallized tetrahydrofuran molecules induce site asymmetry around the [Cu 2 H 2 ] unit, modulating both the local electronic environment and CO 2 diffusion pathways. Using a multiscale computational approach that combines classical molecular mechanics, hybrid quantum mechanics/molecular mechanics molecular dynamics, and enhanced-sampling free energy calculations, we demonstrate how site asymmetry affects CO 2 binding affinities and reaction pathways. These results provide detailed mechanistic insight into CO 2 insertion and hydride transfer, highlighting key differences between crystal- and solution-phase pathways and offering a general framework for understanding how lattice confinement shapes chemical reactivity.

Chemical bonding↗

Nested solitons in two-field fuzzy dark matter

ABSTRACT Dark matter as scalar particles consisting of multiple species is well motivated in string theory where axion fields are ubiquitous. A two-field fuzzy dark matter (FDM) model features two species of ultralight axion particles with different masses, m1 ≠ m2, which is extended from the standard one-field model with $m_a \sim 10^{-22} \, {\rm eV}$. Here we perform numerical simulations to explore the properties of two-field FDM haloes. We find that the central soliton has a nested structure when m2 ≫ m1, which is distinguishable from the generic flat-core soliton in one-field haloes. However, the formation of this nested soliton is subject to many factors, including the density fraction and mass ratio of the two fields. Finally, we study non-linear structure formation in two-field cosmological simulations with self-consistent initial conditions and find that the small-scale structure in two-field cosmology is also distinct from the one-field model in terms of DM halo counts and soliton formation time.

79 ASTRONOMY AND ASTROPHYSICS↗

N-body simulations of disks

The methods used in large-scale n-body simulations are discussed. However, the present review concentrates on results already obtained in n-body simulations using systems containing up to 200,000 simulation stars. Results are presented which show that the stability criterion developed for flattened systems applies only to truly axisymmetric instabilities. Purely stellar disks acquire rather large velocity dispersions, generally two or more times the velocity dispersion required by Toomre (1964) for axisymmetric stability. In computer simulations, the bar-forming instability can be prevented only by comparatively large velocity dispersions. However, simulations including the effects of the galactic halo and core as a fixed background field show that bar formation can be prevented for fixed halo components as large or larger than the self-consistent disk component. Experiments performed to determine the collisional relaxation time for large-scale gravitational n-body calculations show that these models are indeed 'collisionless'.

Hohl, F.↗

Nature and evolution of the meteorite parent bodies: Evidence from petrology and metallurgy

The physical as well as chemical properties of the meteorite parent bodies are reviewed and it is concluded that many differentiated meteorites were likely formed in asteroidal-sized parents. A new model is developed for the formation of pallasites at the interface between an iron core and olivine mantle in differentiated bodies only about 10 km in diameter, which are later incorporated into a second generation of larger (100 km) parent bodies.

Wood, J. A.↗

The structure and evolution of rich star clusters in the Large Magellanic Cloud

The present evaluation of surface brightness profiles and color-magnitude diagrams for 18 rich star clusters in the LMC, whose ages range from 10 million to 1 billion years, notes that while the profiles of the older clusters are representable by models with King-like cores, those of many younger clusters resist such modeling in virtue of bumps, sharp 'shoulders', and central dips. If the clusters have undergone violent relaxation, then the small cores of the youngest ones may be indicative of formation from relatively 'cool' initial conditions. The sharp shoulders would then point point toward 'warmer' initial conditions, although they are alternatively explainable as signatures of merging subcondensations.

Elson, Rebecca A. W.↗

Accretion and evolution of solar system bodies

We use a combination of analytical and numerical methods to study dynamical processes involved in the formation of planets and smaller bodies in the solar system. Our goal was to identify and understand critical processes and to link them in a numerical model of planetesimal accretion. We study effects of these processes by applying them in the context of the standard model of solar system formation, which involves accretion of the terrestrial planets and cores of the giant planet from small planetesimals. The principal focus of our research effort is the numerical simulation of accretion of a swarm of planetesimals into bodies of planetary size. Our computer code uses a Monte Carlo method to determine collisional interactions within the swarm. These interactions are not determined simply by a relative velocity, but rather by explicit distributions of keplerian orbital elements. The planetesimal swarm is divided into a number of zones in semimajor axis, which are allowed to interact. The present version of our code has the capability of following detailed distributions of size, eccentricity, and inclination in each zone.

Weidenschilling, S. J.↗

Bolometric temperature and young stars in the Taurus and Ophiuchus complexes

We calculated bolometric temperature (T(sub bol)) and luminosity (L(sub bol)) for 128 young stellar objects (YSOs) in Taurus, 74 in the Ophiuchus 'core', and 33 in the Ophiuchus 'off-core' region. We have constructed the bolometric luminosity-temperature (BLT) diagram, the log-log plot of L(sub bol) versus T(sub bol), for the three samples. T(sub bol) is defined as the temperature of a blackbody having the same frequency as the observed continuum spectrum. It measures the redness (or coldness) of an astronomical source. The BLT diagram is analogous to the H-R diagram and allows for a direct and quantitative comparison of YSOs at a wide variety of evolutionary states, ranging from the most deeply embedded stars to T Tauri stars nearly on the main sequence. We found (1) T(sub bol) increases monotonically from embedded sources (approximately 60-500 K) to classical T Tauri stars (approximately 1000-3000 K) to weak-line T Tauri stars (approximately 2000-5000 K); (2) T(sub bol) correlates reasonably well with the age inferred from the evolutionary models of pre-main-sequence stars and protostars for embedded 'protostars' and weak-line T Tauri stars. There is no significant correlation for the classical T Tauri stars. These results can be understood in terms of dissipation of circumstellar dust envelope and disk during the early stages of stellar evolution. Sources in the three regions have different distributions in the BLT diagram. The Ophiuchus core has the highest fraction of cold sources among the three regions. These cold sources are also more luminous than the YSOs in the other regions. The Ophiuchus off-core sample is dominated by the more evolved pre-main-sequence stars. The Taurus sources have distributions intermediate in L(sub bol), T(sub bol), and age between the Ophiuchus core and off-core distributions. These may suggest differences in the star formation history, and possibly in the stellar masses and mass accretion rates in these star-forming regions.

Chen, H.↗

A multi-wavelength analysis of the February 6/7, 1997 coronal mass ejection

The coronal mass ejection (CME) event on 6 to 7 February 1997 that originate from the southwest quadrant of the sun are analyzed. The CME is accelerated from a projected speed of 170 km/s to about 650 km/s at 25 solar radii. The CME is an arcade eruption followed by bright prominence core structures. The CME was accompanied by an arcade formation. The X-ray and extreme ultraviolet observations suggest that the reconnection proceeded from the northwest and the southeast end of a filament channel. The CME event caused interplanetary effects that produced a medium size geomagnetic storm on earth. Issues relating to the origin and propagation of geo-effective solar disturbances are addressed.

Plunkett, S. P.↗

Liquid Crystals Derived from 2-phenyl-isoindoles: Synthesis and Characterization

2-Phenyl-isoindole was investigated as the rigid core unit in a series of asymmetric mesogenic molecules. When the 2-phenyl-isoindole core was terminated with a hexyl tail, no mesophase formation could be observed. When 4-n-(tridecafluorohexyl) was used, however, we observed both monotropic and enantiotropic phase behavior. We found that most functionalities at the anhydride 5-position results in the formation of smectic A (SmA) phases in the temperature range of 70-180 C. Functionalities at the anhydride 4-position suppress mesophase formation. Large substituents (-Br, -NO2) and symmetric substitution patterns (5,6-dichloro, 4,7-dichloro and 4,5,6,7-tetrachloro) on the anhydride moiety increase the melting point and destabilize the mesophase. Temperature dependent X-ray diffraction experiments suggest an interdigitated SmA packing for this family of compounds.

Jow, Kenny G.↗

Observational and Numerical Diagnostics of Galaxy Cluster Outer Regions

Aims. We present the analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We exploit the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius. We perform a stacking of the density profiles to detect a signal beyond r(sub 200) and measure the typical density and scatter in cluster outskirts. We also compute the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compare our average density and scatter profiles with the results of numerical simulations. Results. As opposed to several recent results, we observe a steepening of the density profiles beyond approximately 0.3r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict too steep density profiles, whereas runs including additional physics and/or gas clumping are in better agreement with the observed gas distribution. We note a systematic difference between cool-core and non-cool core clusters beyond approximately 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond approximately r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only little differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the simulations. Conclusions. The general trend of steepening density around the virial radius indicates that the shallow density profiles found in several recent works were probably obtained along particular directions (e.g., filaments) and are not representative of the typical behavior of clusters. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Therefore, a detailed treatment of gas cooling, star formation, clumping, and AGN feedback is required to construct realistic models of cluster outer regions.

Eckert, D.↗

Segregation induced core-shell structure

A process for synthesis of PtNi high surface area core/shell particles. The processing including formation of PtNi nanoparticles, exposure of the PtNi nanoparticles to oxygen to form a nickel oxide coating on the nanoparticles at the same time the segregation of Ni to surface induces a Pt-skin with PtNi core structure, removal of the nickel oxide coating to form PtNi core/Pt shell (or Pt-skin) structure.

Wang, Rongyue↗

The role of supernova convection for the lower mass gap and the isolated binary formation of gravitational wave sources

Understanding astrophysical phenomena involving compact objects requires an insight about the engine behind core-collapse supernovae (SNe) and the fate of the stellar collapse of massive stars. In particular, this insight is crucial in developing an understanding of the origin and formation channels of the growing populations of detected black hole-black hole, black holeneutron star and neutron star-neutron star mergers. The timescale of convection growth may have a large effect on the strength of SN explosion and therefore also on the mass distribution of stellar remnants. We adopt new formulas for the relation between the pre-SN star properties and their remnants (Fryer et al. 2022) and check how they impact population of double compact object (DCO) mergers formed via isolated binary evolution. The new formulas give one ability to test wide spectrum of assumptions on the convection growth time. In particular, different variants allow for a smooth transition between having a deep mass gap and a remnant mass distribution filled by massive neutron stars and low mass black holes. We present distribution of masses, mass ratios and the local merger rate densities of DCO for different variants of new formulas and test them together with different approaches to other highly uncertain processes. We find that mass distribution of DCO mergers is sensitive to adopted assumption on SN convection growth timescale up to $m_1$ + $m_2$ ≲ 35$M_⊙$. Between two extreme tested variants the probability of compact object formation within the mass gap may differ up to ~ 2 orders of magnitude.

79 ASTRONOMY AND ASTROPHYSICS↗

On the formation and expansion of H II regions

The evolution of H II regions in spherical clouds with small, constant-density cores and power-law density distributions r exp -w outside the core is described analytically. It is found that there is a critical exponent above which the cloud becomes completely ionized. Its value in the formation phase depends on the initial conditions, but it has a well-defined value w(crit) = 3/2 during the expansion phase. For w less than w(crit), the radius of the H II region grows at a given rate, while neutral mass accumulates in the interphase between the ionization and shock fronts. For w = w(crit), the fronts move together without mass accumulation. Cases with w greater than w(crit) lead to the champagne phase: once the cloud is fully ionized, the expansion becomes supersonic. For self-gravitating disks without magnetic fields, the main features include a new 'variable-size' stage. The initial shape of the H II region has a critical point beyond which the disk becomes completely ionized.

Franco, Jose↗

Sequence and structural implications of a bovine corneal keratan sulfate proteoglycan core protein. Protein 37B represents bovine lumican and proteins 37A and 25 are unique

Amino acid sequence from tryptic peptides of three different bovine corneal keratan sulfate proteoglycan (KSPG) core proteins (designated 37A, 37B, and 25) showed similarities to the sequence of a chicken KSPG core protein lumican. Bovine lumican cDNA was isolated from a bovine corneal expression library by screening with chicken lumican cDNA. The bovine cDNA codes for a 342-amino acid protein, M(r) 38,712, containing amino acid sequences identified in the 37B KSPG core protein. The bovine lumican is 68% identical to chicken lumican, with an 83% identity excluding the N-terminal 40 amino acids. Location of 6 cysteine and 4 consensus N-glycosylation sites in the bovine sequence were identical to those in chicken lumican. Bovine lumican had about 50% identity to bovine fibromodulin and 20% identity to bovine decorin and biglycan. About two-thirds of the lumican protein consists of a series of 10 amino acid leucine-rich repeats that occur in regions of calculated high beta-hydrophobic moment, suggesting that the leucine-rich repeats contribute to beta-sheet formation in these proteins. Sequences obtained from 37A and 25 core proteins were absent in bovine lumican, thus predicting a unique primary structure and separate mRNA for each of the three bovine KSPG core proteins.

NASA Discipline Cell Biology↗

Dust Formation and Growth in Supernovae Explosions

Dust is a multi-messenger probe able to explore the dynamics of the Supernova Engine. The yield and composition of grains formed in the supernova explosion are dependent on the initial explosion characteristics of the progenitor and on the explosion mechanism. Using dust as a prove, the dynamics of dust formation and growth is modeled in a diverse set of Core-Collapse Supernovae Explosions (CCSNe). The progenitor mass, explosion energy engine type, and composition are varied across 72 models. The explosion is evolved using a 1-D Lagrangian Hydro-dynamical code (hydrocodes) to roughly 3 years. A multigrain nucleation and dust growth model is used to post process the hydrocode results and model grain formation and growth. The results show an earlier onset of grain formation, a larger silicate grain abundance, and smaller grain sizes in high explosion energy models.

79 ASTRONOMY AND ASTROPHYSICS↗

PIE-Enabled Study of Aqueous Corrosion & Zr Hydriding in Cr-Coated Cladding: M3GV-23PN0101132

Chromium-coated zirconium alloy cladding is under investigation as an accident-tolerant fuel (ATF) concept to extend performance to higher burnups via improved oxidation resistance and reduced hydrogen pickup. However, hydrothermal corrosion behavior and hydrogen transport mechanisms governing in-service hydriding of these coatings remain poorly understood. In a collaborative study between Pacific Northwest National Laboratory (PNNL), Idaho National Laboratory (INL), and the University of Huddersfield, cold spray (CS) and physical vapor deposition (PVD) Cr-coated Optimized ZIRLO™ cladding samples were characterized after exposure to PWR-simulated water chemistry under both in-core (neutron irradiation) and out-of-core (aqueous-only) conditions at the MIT Research Reactor. Multi-scale characterization was performed independently at PNNL and INL to evaluate coating integrity, microstructural evolution, Cr/Zr interface chemistry, and hydride formation. Both laboratories observed a consistent divergence in hydriding behavior: out-of-core CS Cr-coated cladding exhibited elevated hydride concentrations exceeding those of uncoated cladding, whereas in-core CS samples showed substantially suppressed hydriding. In-core specimens also displayed irradiation-specific features, including nanoscale voids within the Cr coating and radiation-induced segregation clusters in the Zr substrate. CS coatings retained an interdiffusion-free Cr/Zr bond with no intermetallic layer, whereas PVD coatings exhibited inferior quality with visible cracks and pores. An automated image-based hydride quantification method systematically overestimated bulk hydrogen content relative to inert gas fusion measurements, underscoring the need for standardized sample preparation and reference standards. Interpretation of hydride nucleation and growth is complicated by the open inner-diameter of the specimens, which provides additional hydrogen pathways. The results motivate further foundational studies to support predictive models of hydrothermal corrosion and hydrogen transport in unirradiated and irradiated Cr-coated cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗