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At least 1,081 records · Page 60

Measurements of the thermal and ionization state of the intergalactic medium during the cosmic afternoon

We perform the first measurement of the thermal and ionization state of the intergalactic medium (IGM) across 0.9 < z < 1.5 using 301 Ly α absorption lines fitted from 12 archival Hubble Space Telescope Space Telescope Imaging Spectrograph quasar spectra. We employ the machine-learning-based inference method that uses joint Doppler parameter–column density (⁠b-N HI ⁠) distributions obtained from Ly α forest decomposition. Our results show that the Γ HI photoionization rates, ⁠, agree with recent ultraviolet background synthesis models, with log(Γ HI /s -1 ) = $-11.79^{+0.18}_{-0.15}$, $-11.98^{+0.09}_{-0.09}$⁠, and $-12.32^{+0.10}_{-0.12}$⁠, at z = 1.4, 1.2, and 1, respectively. We obtain the IGM temperature at the mean density, T 0 ⁠, and the adiabatic index, γ⁠, as [log(T 0 /K), γ] = $[4.13^{+0.12}_{-0.10}, 1.34^{+0.10}_{-0.15}]$, $[3.79^{+0.11}_{-0.11}, 1.70^{+0.09}_{-0.09}]$, and $[4.12^{+0.15}_{-0.25}, 1.34^{+0.21}_{-0.26}]$ at z = 1.4⁠, 1.2, and 1. Our measurements of T 0 at z = 1.4 and 1.2 are consistent with the trend predicted from previous z < 3 temperature measurements and theoretical expectations, where the IGM cools down after $He\tiny{II}$ reionization in the absence of any non-standard heating. However, our T 0 measurement at z = 1 unexpectedly high IGM temperature. Given the relatively large uncertainty in these measurements, where σ T$_0$ ~ 5000 K, mostly emanating from the limited size of our data set, we cannot conclude whether the IGM cools down as expected. Lastly, we generate mock data sets to test the constraining power of future measurement with larger data sets. The results demonstrate that, with redshift path-length Δz ~ 2 for each redshift bin, three times the current data set, we can constrain the T 0 of IGM within 1500 K, which would be sufficient to constrain the IGM thermal history at z < 1.5 conclusively.

79 ASTRONOMY AND ASTROPHYSICS↗

Los Alamos National Laboratory: SULI Appointment

We use COSMIC, a galaxy population synthesis code, to investigate how metallicity affects the rate of formation of massive stars with a closely orbiting compact object companion, the suggested progenitors of radio loud gamma-ray bursts. We show the evolution time of these systems at different metallicities, and how the formation rates of these systems are anti-correlated with metallicity. In particular, these systems occur about 10 times more frequently in at metallicities between 0.0002 and 0.002, compared to those between 0.002 and 0.02. This work serves as a prerequisite to predicting the global rates of these systems as a function of redshift, ultimately giving crucial insight into our understanding of the progenitors of gamma-ray bursts and their evolution over cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗

Endotaxial stabilization of 2D charge density waves with long-range order

Charge density waves are emergent quantum states that spontaneously reduce crystal symmetry, drive metal-insulator transitions, and precede superconductivity. In low-dimensions, distinct quantum states arise, however, thermal fluctuations and external disorder destroy long-range order. Here we stabilize ordered two-dimensional (2D) charge density waves through endotaxial synthesis of confined monolayers of 1T-TaS 2 . Specifically, an ordered incommensurate charge density wave (oIC-CDW) is realized in 2D with dramatically enhanced amplitude and resistivity. By enhancing CDW order, the hexatic nature of charge density waves becomes observable. Upon heating via in-situ TEM, the CDW continuously melts in a reversible hexatic process wherein topological defects form in the charge density wave. From these results, new regimes of the CDW phase diagram for 1T-TaS 2 are derived and consistent with the predicted emergence of vestigial quantum order.

36 MATERIALS SCIENCE↗

Model predictive control for voltage restoration in microgrids using temporal logic specifications

Power system operation will encounter numerous voltage variabilities as the proliferation of renewable energy continues. Real-time monitoring and communication technologies can potentially improve voltage stability by enabling the rapid detection of voltage deviations and the implementation of corrective actions. These corrective actions will only be effective in restoring stability if they are chosen in a timely and scalable manner. This paper considers the problem of power systems’ load voltage control in order to simultaneously address both magnitude and time voltage specifications. In order to comply with grid codes and avoid unnecessary relay protection actions, a model predictive control (MPC)-based control strategy employing temporal logic specifications (TLSs) is proposed. The TLSs strategy is introduced as a formalism to control the voltage variation at a critical load bus against operational bounds over time. The control objective is to schedule optimal control input signals from the available supportive energy storage systems, which provide reactive power injections, leading to satisfying the specified finite-time restoration described by the TLSs with minimal control efforts. The simulation results display that the TLSs strategy for power systems’ voltage control synthesis is extremely significant.

24 POWER TRANSMISSION AND DISTRIBUTION↗

GapMind: Automated Annotation of Amino Acid Biosynthesis

ABSTRACT GapMind is a Web-based tool for annotating amino acid biosynthesis in bacteria and archaea ( http://papers.genomics.lbl.gov/gaps ). GapMind incorporates many variant pathways and 130 different reactions, and it analyzes a genome in just 15 s. To avoid error-prone transitive annotations, GapMind relies primarily on a database of experimentally characterized proteins. GapMind correctly handles fusion proteins and split proteins, which often cause errors for best-hit approaches. To improve GapMind’s coverage, we examined genetic data from 35 bacteria that grow in defined media without amino acids, and we filled many gaps in amino acid biosynthesis pathways. For example, we identified additional genes for arginine synthesis with succinylated intermediates in Bacteroides thetaiotaomicron , and we propose that Dyella japonica synthesizes tyrosine from phenylalanine. Nevertheless, for many bacteria and archaea that grow in minimal media, genes for some steps still cannot be identified. To help interpret potential gaps, GapMind checks if they match known gaps in related microbes that can grow in minimal media. GapMind should aid the identification of microbial growth requirements. IMPORTANCE Many microbes can make all of the amino acids (the building blocks of proteins). In principle, we should be able to predict which amino acids a microbe can make, and which it requires as nutrients, by checking its genome sequence for all of the necessary genes. However, in practice, it is difficult to check for all of the alternative pathways. Furthermore, new pathways and enzymes are still being discovered. We built an automated tool, GapMind, to annotate amino acid biosynthesis in bacterial and archaeal genomes. We used GapMind to list gaps: cases where a microbe makes an amino acid but a complete pathway cannot be identified in its genome. We used these gaps, together with data from mutants, to identify new pathways and enzymes. However, for most bacteria and archaea, we still do not know how they can make all of the amino acids.

59 BASIC BIOLOGICAL SCIENCES↗

The Chocolate Chip Cookie Model: Dust Geometry of Milky Way–like Disk Galaxies

We present a new two-component dust geometry model, the Chocolate Chip Cookie model, where the clumpy nebular regions are embedded in a diffuse stellar/interstellar medium disk, like chocolate chips in a cookie. By approximating the binomial distribution of the clumpy nebular regions with a continuous Gaussian distribution and omitting the dust scattering effect, our model solves the dust attenuation process for both the emission lines and stellar continua via analytical approaches. Our Chocolate Chip Cookie model successfully fits the inclination dependence of both the effective dust reddening of the stellar components derived from stellar population synthesis and that of the emission lines characterized by the Balmer decrement for a large sample of Milky Way–like (MW-like) disk galaxies selected from the main galaxy sample of the Sloan Digital Sky Survey. Our model shows that the clumpy nebular disk is about 0.55 times thinner and 1.6 times larger than the stellar disk for MW-like galaxies, whereas each clumpy region has a typical optical depth of τ cl,V ~ 0.5 in the V band. After considering the aperture effect, our model prediction on the inclination dependence of dust attenuation is also consistent with observations. Not only that, in our model, the dust attenuation curve of the stellar population naturally depends on the inclination, and its median case is consistent with the classical Calzetti law. As the modeling constraints are from the optical wavelengths, our model is unaffected by the optically thick dust component, which however could bias the model's prediction of the infrared emissions.

79 ASTRONOMY AND ASTROPHYSICS↗

Three pairs of fungal Trametes strains isolated from distinct geographic origins show conserved genomic features and adaptive response to plant biomass

The genomes of white-rot fungi hold extended repertoires of enzymes active on virtually all the chemical bonds that intertwine lignocellulose polymers, and several Trametes species have been identified as powerful tools for biorefinery or bioremediation. However, only few studies have addressed the intra-species polymorphism one would expect from fungal strains collected in contrasted environments. We compared the genome sequence of pairs of strains collected in different geographic areas, for each of three fungal species. Using an updated list of the predicted functions for fungal ligno- and cellulolytic enzymes (CAZymes), we observed a high conservation of the gene repertoires among the six strains. We compared the adaptative response of the fungi grown on crystalline cellulose, wheat straw, aspen or pine sawdust by transcriptomics and secretomics. The gene regulation profiles were determined by the species and the substrates, rather than the strain. The secretomes did not show marked differences in the sets of secreted CAZymes after 3 day-growth on the substrates. We identified five transcription factor genes and two sesquiterpenoid synthesis genes induced during growth on lignocellulose. Wider studies using larger sets of strains will be necessary to evaluate the genericity of our findings, and to assess the phenotype diversity one could expect from geographic diversity as compared to taxonomic diversity in Trametes fungi.

Drula, E. [French National Research Institute for ↗

Vibrational and electronic properties of Np 2 O 5 from experimental spectroscopy and first principles calculations

High-valence actinide oxides are critical to understanding the behavior of 5f-electrons, yet their structural and electronic properties remain poorly understood due to challenges in synthesis and handling. We report the first Raman spectroscopic study of single-crystalline Np 2 O 5 and the first scanning tunneling spectroscopy (STS) measurement on any neptunium-containing material. Hydrothermally synthesized crystals were structurally verified by X-ray diffraction. Raman spectra revealed sharply resolved vibrational features, including previously unreported low-frequency modes. STS measurements revealed a band gap of 1.5 eV. Density functional theory (DFT) enables vibrational mode assignments, reveals neptunium-dominated low-frequency phonons, oxygen-dominated high-frequency modes, and predicts an indirect band gap of 1.68 eV. This predicted value is in excellent agreement with the experimentally measured STS gap. This combined Raman, DFT, and STS approach provides a robust framework for correlating lattice dynamics and electronic structure in actinide materials, providing benchmark data for Np 2 O 5 , and opening new avenues for probing structure–property relationships in complex f-electron materials.

36 - MATERIALS SCIENCE↗

ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a language diffusion model

Through evolution, nature has presented a set of remarkable protein materials, including elastins, silks, keratins and collagens with superior mechanical performances that play crucial roles in mechanobiology. However, going beyond natural designs to discover proteins that meet specified mechanical properties remains challenging. Here, we report a generative model that predicts protein designs to meet complex nonlinear mechanical property-design objectives. Our model leverages deep knowledge on protein sequences from a pretrained protein language model and maps mechanical unfolding responses to create proteins. Via full-atom molecular simulations for direct validation, we demonstrate that the designed proteins are de novo, and fulfill the targeted mechanical properties, including unfolding energy and mechanical strength, as well as the detailed unfolding force-separation curves. Our model offers rapid pathways to explore the enormous mechanobiological protein sequence space unconstrained by biological synthesis, using mechanical features as the target to enable the discovery of protein materials with superior mechanical properties.

59 BASIC BIOLOGICAL SCIENCES↗

The Atmosphere Observing System (AOS): Synergistic Aerosol, Cloud, Convection and Precipitation Measurement and Modeling Systems

The 2017 Decadal Survey (DS) highlighted Earth System Science themes, science and application questions, and several high priority objectives that have led to the inclusion of Aerosols (A) and Clouds-Convection-Precipitation (CCP) as Designated Observables (DOs). On June 1, 2018, several NASA centers (GSFC, LaRC, JPL, MSFC, GRC and ARC) submitted a joint Study Plan to the NASA Earth Science Division for the Aerosol (A) and Cloud, Convection, and Precipitation (CCP) Pre-formulation Study (ACCP), with the ACCP Study concluding in early 2021. The new mission now in pre-phase A is being referred to as the Atmosphere Observing System (AOS), an integral part of NASA’s Earth System Observatory (ESO) strategy. The DS and the ACCP team recognized the science merit in combining the A and CCP DOs for both enhancing the ability to address a number of science objectives and also to provide an expanded capability to address additional objectives beyond those of the individual DOs. A critical element of the ACCP observing strategy is to make extensive use of new passive and active sensors as well as of the so-called Program-of-Record (PoR), complemented by a fully integrated sub-orbital component. In order to achieve maximum benefit, all these observations need to be integrated into comprehensive observing and modeling/data assimilation systems. Such an approach requires comprehensive model-data synthesis capabilities that needs to be conceived in conjunction with the space-based and suborbital components of AOS. In this presentation we will summarize the major science goals of AOS including cloud feedbacks, atmospheric convection, emphasizing aerosol processes and aerosol radiative effects, and the synergistic aspects of clouds-precipitation-aerosol interactions. We will describe examples of how AOS data will be used across space and time to better initialize forecasts and train modeling systems, and to infuse models and data assimilation systems with AOS data for advancing operational predictions and to generate expanded hindcasts and reconstruction of the climate record.

Arlindo da Silva↗

Shape Control of Colloidal Semiconductor Nanocrystals through Thermodynamically Driven Aggregative Growth

The optoelectronic properties of colloidal semiconductor nanocrystals (NCs) can be manipulated by changing their geometric shapes. The precise synthetic control over particle morphologies, however, has remained elusive. Conventional growth techniques rely on the kinetic assembly of atomic units, where supersaturation and precipitation processes can lead to a broad distribution of particle shapes. In this paper, we demonstrate that replacing atomic precursors with small-size nanocrystals as building blocks for larger colloids offers an easier, more predictive control over nanoparticle shape evolution. The reported growth strategy is illustrated via shape-selective syntheses of CdSe and CdS NC cubes, spheres, rods, as well as unprecedented “donut” and ring-like structures. Growth of desired particle morphologies was achieved by choosing an appropriate reaction solvent that minimizes the surface free energy through a unique shape formation. This so-called "aggregative growth mechanism" is explained using a thermodynamic model for interacting viscous colloids. We expect that this novel growth strategy will offer a viable platform for shape–selective synthesis of many inorganic colloids, providing pathways to optimizable optoelectronic materials.

36 MATERIALS SCIENCE↗

Sympathetic cooling of positrons to cryogenic temperatures for antihydrogen production

The positron, the antiparticle of the electron, predicted by Dirac in 1931 and discovered by Anderson in 1933, plays a key role in many scientific and everyday endeavours. Notably, the positron is a constituent of antihydrogen, the only long-lived neutral antimatter bound state that can currently be synthesized at low energy, presenting a prominent system for testing fundamental symmetries with high precision. Here, we report on the use of laser cooled Be + ions to sympathetically cool a large and dense plasma of positrons to directly measured temperatures below 7 K in a Penning trap for antihydrogen synthesis. This will likely herald a significant increase in the amount of antihydrogen available for experimentation, thus facilitating further improvements in studies of fundamental symmetries.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Unified Design Theory for Multi-Port Polyphase Transformers Enabling Scalable Power-Multiplexed EV Fleet Charging Systems

This paper presents a unified analytical design theory for multi-port polyphase transformers, targeting scalable and isolated high-power Electric Vehicle (EV) fleet charging systems with power multiplexing capability. As fleet electrification accelerates, conventional one-to-one charger architectures face significant challenges in infrastructure cost, peak power demand, and low utilization of installed power electronics. Power-multiplexed charging architectures, which dynamically distribute power from a shared pool of converter modules across multiple vehicles, have emerged as a promising solution. However, such architectures require scalable, isolated multi-port power interfaces capable of routing energy among multiple inputs and outputs, whose design remains complex and dependent on iterative modeling. To address this gap, the proposed theory provides closed-form expressions for self-inductance, leakage inductance, and mutual coupling terms for arbitrary multi-phase, multi-port transformer structures. The formulation enables direct synthesis of isolated multi-input and multi-output resonant converter systems without reliance on geometry-specific finite-element analysis or extensive parameter extraction. This capability is particularly critical for power-multiplexed systems, where modular converter structures must interface with multiple vehicles while maintaining galvanic isolation and flexible power allocation. The effectiveness of the proposed framework is demonstrated through the design of a 360 kW multi-phase system operating over a 700–900 VDC input and 400–1250 VDC output range. PLECS simulation results confirm accurate prediction of system behavior and validate the applicability of the approach to multi-port, power-multiplexed charging scenarios. The proposed method significantly reduces design complexity while enabling scalable, cost-effective, and fully utilized EV fleet charging infrastructure.

Asa, Erdem [ORNL] (ORCID:0000000190884812)↗

Pulse modulated control synthesis for a flexible spacecraft

The describing function method is employed for the nonlinear control analysis and design of a flexible spacecraft equipped with pulse modulated reaction jets. The method provides a means of characterizing the pulse modulator in terms of its gain and phase for structural mode limit cycle analysis. Although the describing function method is inherently inexact and is not widely used in practice, a new way of utilizing it for practical control design problems is presented. It is shown that the approximations inherent in the method can be accounted as a modeling uncertainty for the nonlinear control robustness analysis. The pulse modulated control system of the Intelsat 5 spacecraft is used as an example to illustrate the concept and methodology developed in the paper. The nonlinear stability margins predicted by the describing function analysis are verified from nonlinear simulations.

Anthony, Tobin C.↗

High Entropy Oxide Relaxor Ferroelectrics

Relaxor ferroelectrics are important in technological applications due to strong electromechanical response, energy storage capacity, electrocaloric effect, and pyroelectric energy conversion properties. Current efforts to discover and design materials in this class generally rely on substitutional doping as slight changes to local compositional order can significantly affect the Curie temperature, morphotropic phase boundary, and electromechanical responses. In this work, we demonstrate that moving to the strong limit of compositional complexity in an ABO 3 perovskite allows stabilization of relaxor responses that do not rely on a single narrow phase transition region. Entropy-assisted synthesis approaches are utilized to synthesize single-crystal Ba(Ti 0.2 Sn 0.2 Zr 0.2 Hf 0.2 Nb 0.2 )O 3 [Ba(5B)O] films. The high levels of configurational disorder present in this system are found to influence dielectric relaxation, phase transitions, nanopolar domain formation, and Curie temperature. Temperature-dependent dielectric, Raman spectroscopy, and second-harmonic generation measurements reveal multiple phase transitions, a high Curie temperature of 570 K, and the relaxor ferroelectric nature of Ba(5B)O films. The first-principles theory calculations are used to predict possible combinations of cations to design relaxor ferroelectrics and quantify the relative feasibility of synthesizing these highly disordered single-phase perovskite systems. Further, the ability to stabilize single-phase perovskites with various cations on the B-sites offers possibilities for designing high-performance relaxor ferroelectric materials for piezoelectric, pyroelectric, and electrocaloric applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fission with Exotic Nuclei (Abbreviated Report)

Nuclear fission is a key mechanism involved in the synthesis of heavy elements in the Cosmos and is the primary explanation for the stability of superheavy elements. Nevertheless, our knowledge of fission remains extremely fragmented. Most experiments have been conducted only on a tiny number of stable actinide nuclei and are often incomplete, leading to gaps in our basic understanding of the process. For many radioactive isotopes, basic fission data such as the charge or mass distribution of the fragments is unknown. These gaps cannot always be filled by simulation alone. Common fission models contain too many free parameters and lack predictive power. In contrast, the fundamental theory of fission under development at LLNL is much more predictive, but its current computational cost is too high to be used extensively for data evaluations. A unique window of opportunity to resolve these limitations has recently opened: the U.S. nuclear science community is ramping up major experimental programs at the Facility for Rare Isotope Beams (FRIB, the DOE flagship facility in low-energy nuclear science), and techniques from machine learning have shown great potential to simplify the use of a fundamental, quantum-mechanical theory of fission. This project has two components. On the experimental side, we acquired and deployed at the HIGS facility a new dual Frisch-Grid ionization chamber to measure correlated fragment-mass, kinetic energy, and angular distributions of fission fragments from induced fission. This new device was used to perform measurements of charge, mass and total kinetic energy of fission fragments in the photofission of 238 U and eight gamma-ray beam energies between 6.2 and 13 MeV, which allowed extracting high-precision independent yields for this reaction. The device was also used to perform measurements of the same quantities in the neutron-induced fission of 234 U with monoenergetic beams of energy between 5 and 8 MeV. In parallel, we collaborated with a team at Commissariat à l’énergie atomique et aux énergies alternatives (CEA) to perform a series of measurements of fission yields in inverse kinematics for the two isotopes of 236 U and 240 Pu. The experiment took place at the Grand Accélérateur National d’Ions Lourds in France in June 2023. The deployment of the VAMOS spectrometer with a new array called PISTA allowed determining the excitation energy of the fissioning system within 1 Mega-electronvolts. The second component of the project involved using deep neural networks to build fast and reliable emulators of our current fission models. In an invited paper published in Frontier in Physics, we showed that autoencoders could successfully compress nuclear wavefunctions in nuclear density functional theory. We achieved a dimensionality reduction of the order of two orders of magnitude while keeping the error in the total energy to less than 0.01%. In a second paper submitted to Physical Review Letters in June 2023 with our collaborators at CEA, we showed that variational autoencoders can learn the collective degrees of freedom driving the fission process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Inductively Coupled Nonthermal Plasma Synthesis of Size-Controlled γ-Al 2 O 3 Nanocrystals

Gamma alumina (γ-Al 2 O 3 ) is widely used as a catalyst and catalytic support due to its high specific surface area and porosity. However, synthesis of γ-Al 2 O 3 nanocrystals is often a complicated process requiring high temperatures or additional post-synthetic steps. Here, we report a single-step synthesis of size-controlled and monodisperse, facetted γ-Al 2 O 3 nanocrystals in an inductively coupled nonthermal plasma reactor using trimethylaluminum and oxygen as precursors. Under optimized conditions, we observed phase-pure, cuboctahedral γ-Al 2 O 3 nanocrystals with defined surface facets. Nuclear magnetic resonance studies revealed that nanocrystal surfaces are populated with AlO 6 , AlO 5 and AlO 4 units with clusters of hydroxyl groups. Nanocrystal size tuning was achieved by varying the total reactor pressure yielding particles as small as 3.5 nm, below the predicted thermodynamic stability limit for γ-Al 2 O 3 .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The Winds of B Supergiants

We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasizes the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M qi) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in turns of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.

Massa, Derck↗