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At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Integration of Rucio Metadata in Belle II

Rucio is a Data Management software that has become a de-facto standard in the HEP community and beyond. It allows the management of large volumes of data over their full lifecycle. The Belle II experiment located at KEK (Japan) recently moved to Rucio to manage its data over the coming decade (O(10) PB/year). In addition to its Data Management functionalities, Rucio also provides support for storing generic metadata. Rucio metadata already provides accurate accounting of the data stored all over the sites serving Belle II. Annotating files with generic metadata opens up possibilities for finer-grained metadata query support. We will first introduce some of the new developments aimed at providing good performance that were done to cover Belle II use-cases like bulk insert methods, metadata inheritance, etc. We will then describe the various tests performed to validate Rucio generic metadata at Belle II scale (O(100M) files), detailing the import and performance tests that were made.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Novel superposed kinklike and pulselike solutions for several nonlocal nonlinear equations

In this work, we show that a number of nonlocal nonlinear equations, including the Ablowitz–Musslimani and Yang variant of the nonlocal nonlinear Schrödinger (NLS) equation, the nonlocal modified Korteweg de Vries (mKdV) equation, and the nonlocal Hirota equation, admit novel kinklike and pulselike superposed periodic solutions. Furthermore, we show that the nonlocal mKdV equation also admits the superposed (hyperbolic) kink–antikink solution. In addition, we show that while the nonlocal Ablowitz–Musslimani variant of the NLS admits complex parity-time reversal-invariant kink and pulse solutions, neither the local NLS nor the Yang variant of the nonlocal NLS admits such solutions. Finally, except for the Yang variant of the nonlocal NLS, we show that the other three nonlocal equations admit both the kink and pulse solutions in the same model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Nonlinear spectral analysis of ion acoustic solitons arising from a streaming charged object using the numerical inverse scattering transform

Observations of nonlinear coherent plasma phenomena in spacecraft and terrestrial experiments often rely on visual identification of solitary modes because nonlinear coherent modes are broadband in a Fourier transform based analysis. We implement an alternative spectral decomposition known as the inverse scattering transform and demonstrate its ability to successfully isolate nonlinear modes on the homogeneous and forced Korteweg–De Vries equation which models these nonlinear modes. We also demonstrate for the first time that this decomposition is useful when forcing is applied. This is because the stable modes generated by localized forcing are similar to the homogeneous solutions where the inverse scattering transform is a rigorous decomposition. This spectral technique is then applied to simulations of ion acoustic waves generated by a 10 mm spherical debris object interacting with the ionospheric plasma orbiting at 2000 km altitude. The algorithm is found to successfully detect the resultant solitons. This demonstrates the feasibility of using this spectral technique as a real time analysis tool for screening spacecraft data for nonlinear solitary modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Nonlinear evolution, propagation, electron-trapping, and damping effects of ion-acoustic solitons using fully kinetic PIC simulations

We investigate ion acoustic solitary waves (solitons) of varying amplitudes in a one-dimensional plasma using fully kinetic particle-in-cell simulations. The initial soliton conditions are based on the Korteweg–de Vries (KdV) equation, treating ions as a cold species and electrons with finite temperature. Our findings reveal that KdV solitons evolve nonlinearly to a saturated state at higher amplitude, deviating from KdV predictions for ion density and electric potential, and from the Boltzmann relation for electron density. At this saturated state, the KdV model cannot accurately describe the soliton behavior. For small amplitudes, Sagdeev's model describes the saturated state, but not the soliton width; for larger amplitudes, it models the width accurately, but not the amplitude. These discrepancies arise from assuming a Boltzmann relation for electron density, while electron trapping creates non-Boltzmann densities—a deviation that increases with soliton amplitude. Additionally, we observe that the soliton amplitude oscillates roughly at the electron bounce frequency. The soliton is better described by Schamel's electron density formulation and a modified KdV equation incorporating electron trapping. The soliton velocity matches best with predictions from Sagdeev's and Schamel's models. Moreover, the soliton speed–amplitude relationship differs from existing theoretical predictions. Finally, we find minimal ion and electron Landau damping effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential

Here, we perform electronic structure calculations for a set of molecules with degenerate spin-dependent ground states ( 3 CH 2 , 2 CH$^{•}_{3}$, 3 O 2 ) going beyond the Born–Oppenheimer approximation and accounting for nuclear motion. According to a phase space approach that parameterizes electronic states (|Φ⟩) and electronic energies (E) by nuclear position and momentum [i.e., |Φ(R, P)⟩ and E(R, P)], we find that the presence of degenerate spin degrees of freedom leads to broken symmetry ground states. More precisely, rather than a single degenerate minimum at (R, P) = (R min , 0), the ground state energy has two minima at (R,P)=(R' min ,±P min ) (where R' min is close to R min ), dramatically contradicting the notion that the total energy of the system can be written in separable form as E = $\frac{P^2}{2M}$ + V el . Although we find that the broken symmetry solutions have small barriers between them for the small molecules, we hypothesize that the barriers should be macroscopically large for metallic solids, thus offering up a new phase-space potential energy surface for simulating the Einstein–de Haas effect.

Berry connection↗
DOE OSTI2026

Interplay of Kondo physics with incommensurate charge density waves in CeTe 3

CeTe 3 is a 2-dimensional (2D) Van der Waals (VdW) material with incommensurate charge density waves (CDW), extremely high transition temperature (T CDW ), and a large momentum-dependent CDW gap that leaves a significant portion of the Fermi surface intact. It is also considered to be a weak Kondo system, a property unexpected for a material with incommensurate CDW, where each atomic site is slightly different. Here, we study the properties of the CDW state in several RTe3 (R is rare earth) materials and examine the hybridization of itinerant states with the localized Ce 4f multiplet in CeTe 3 by using angle resolved photoemission spectroscopy. We find that the renormalization of the itinerant states originating from the hybridization with the deeper localized 4f states at −260 meV is k−dependent and extends to the Fermi level. As these localized states are far from the Fermi level, the observed hybridization affects the effective masses only marginally and does not lead to heavy fermions. However, since the same renormalizing mechanism normally leads to the heavy fermion physics when the localized 4f states are near the Fermi level, our observation of its strong k−dependence suggests that this could be the reason for discrepancy between the heavy masses in specific heat and light ones in Shubnikov de Haas oscillations, often observed in heavy fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantum oscillations with angular dependence in PdTe 2 single crystals

The layered transition-metal dichalcogenide PdTe 2 has been discovered to possess bulk Dirac points as well as topological surface states. By measuring the magnetization (up to 7 T) and magnetic torque (up to 35 T) in single crystalline PdTe2, we observe distinct de Haas–van Alphen (dHvA) oscillations. Eight frequencies are identified with H||c, with two low frequencies (F α = 8 T and F β = 117 T) dominating the spectrum. The effective masses obtained by fitting the Lifshitz–Kosevich (LK) equation to the data are $m_α^* =0.059m_0$ and $m_β^* =0.067m_0$ where $m_0$ is the free electron mass. The corresponding Landau fan diagrams allow the determination of the Berry phase for these oscillations resulting in values of ~0.67π for the 3D α band (hole-type) (down to the 1st Landau level) and ~0.23π–0.73π for the 3D β band (electron-type) (down to the 3rd Landau level). By investigating the angular dependence of the dHvA oscillations, we find that the frequencies and the corresponding Berry phase (Φ B ) vary with the field direction, with a Φ B ~ 0 when H is 10°–30° away from the ab plane for both α and β bands. Finally, the multiple band nature of PdTe 2 is further confirmed from Hall effect measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Large magnetoresistance and quantum oscillations observed in superconducting β -IrSn 4

Diverse quantum phenomena have been observed in TSn 4 transition metal (T) stannides, including superconductivity, nontrivial topology, and large magnetoresistance (MR) at low temperatures. Here, we report the experimental and theoretical investigation of tetragonal β-IrSn 4 (space group I 4 1 /acd) with the lattice parameters a = 6.362(3) Å and c = 22.723(0) Å. The temperature dependence of the electrical resistivity indicates that β-IrSn 4 is a good metal with Fermi-liquid behavior above the superconducting transition at T c ∼ 0.7 K. Magnetic susceptibility measurements indicate it is non-magnetic. However, positive transverse MR with linear field dependence is observed. At T= 2 K and Μ 0 H = 14 T, the MR reaches 700% without sign of saturation. Shubnikov–de Haas oscillations are observed from proximity detector oscillator measurements up to 60 T. We experimentally extract several frequencies, and through comparison to first-principles calculations, identify corresponding electronic bands. For H // c, two strong oscillations, F 1 ≈ 109 and F 2 ≈ 302 T, allow us to determine effective masses 0.266m 0 and 0.300m 0 (m 0 is the free-electron mass), respectively. The topology of these bands is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deuterium retention in Be-D co-deposits formed over an ITER relevant parameter space

Be-D co-deposit samples are produced over an extended range of plasma-material interaction parameters reflective of the conditions expected in ITER deposition dominant locations. Deposition temperature, D impact energy, atomic Be deposition rate, and D2 neutral pressure were varied in the ranges 373–623 K, ~2–100 eV, 1–10 × 10 19 m 2 s –1 , and 0.27–13.3 Pa respectively. Thermal desorption spectrometry was carried out on samples, subsequently, to measure the D release profile and retention. In this work, it was found that the D retention in samples agrees well with the existing GDT D/Be scaling over the extended parameter space, and that increased D impact energy and D2 pressure can lead to the observation of a sharp low-temperature release peak at ~440 K in desorption data. Desorption data without the presence of the sharp release mechanism are modeled with TMAP-7 utilizing three traps of de-trapping energies, 0.8, 0.9 and 1.0 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The DAMIC-M Low Background Chamber

The DArk Matter In CCDs at Modane (DAMIC-M) experiment isdesigned to search for light dark matter (m$_{χ}$ < 10 GeV/c$^{2}$)at the Laboratoire Souterrain de Modane (LSM) in France. DAMIC-Mwill use skipper charge-coupled devices (CCDs) as a kg-scale activedetector target. Its single-electron resolution will enable eV-scaleenergy thresholds and thus world-leading sensitivity to a range ofhidden sector dark matter candidates. A DAMIC-M prototype, the LowBackground Chamber (LBC), has been taking data at LSM since2022. The LBC provides a low-background environment, which has beenused to characterize skipper CCDs, study dark current, and measureradiopurity of materials planned for DAMIC-M. It also allows testingof various subsystems like readout electronics, data acquisitionsoftware, and slow control. This paper describes the technicaldesign and performance of the LBC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Chapter 4: Vibrational Spectroscopy for Batteries

Dr. Sang-Don Han and Dr. Bertrand Tremolet de Villers describe infrared (IR) and Raman spectroscopy studies. Not only are the fundamental principles and measurement methods or FTIR and Raman presented, but also in situ spectroscopic analysis during battery cycling. The advantage of the in situ method is the additional insight into the chemical, thermal, and electrical mechanisms underlying the battery performance that are largely inaccessible with traditional ex situ measurements. The future perspectives on the continuing evolution of IR spectroscopy in electrochemical energy storage research are also presented.

battery↗
DOE OSTI2022

High-quality genome of the basidiomycete yeast Dioszegia hungarica PDD-24b-2 isolated from cloud water

The genome of the basidiomycete yeast Dioszegia hungarica strain PDD-24b-2 isolated from cloud water at the summit of puy de $D\hat{o}me$ (France) was sequenced using a hybrid PacBio and Illumina sequencing strategy. The obtained assembled genome of 20.98 Mb and a GC content of 57% is structured in 16 large-scale contigs ranging from 90 kb to 5.56Mb, and another 27.2 kb contig representing the complete circular mitochondrial genome. In total, 8,234 proteins were predicted from the genome sequence. The mitochondrial genome shows 16.2% cgu codon usage for arginine but has no canonical cognate tRNA to translate this codon. Detected transposable element (TE)-related sequences account for about 0.63% of the assembled genome. A dataset of 2,068 hand-picked public environmental metagenomes, representing over 20 Tbp of raw reads, was probed for D. hungarica related ITS sequences, and revealed worldwide distribution of this species, particularly in aerial habitats. Growth experiments suggested a psychrophilic phenotype and the ability to disperse by producing ballistospores. The high-quality assembled genome obtained for this D. hungarica strain will help investigate the behavior and ecological functions of this species in the environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The X-ray view of optically selected dual AGN

We present a study of optically selected dual Active Galactic Nuclei (AGN) with projected separations of 3–97 kpc. Using multiwavelength (MWL) information (optical, X-ray, mid-IR), we characterized the intrinsic nuclear properties of this sample and compared them with those of isolated systems. Among the 124 X-ray-detected AGN candidates, 52 appear in pairs and 72 as single X-ray sources. Through MWL analysis, we confirmed the presence of the AGN in >80 per cent of the detected targets in pairs (42 out of 52). X-ray spectral analysis confirms the trend of increasing AGN luminosity with decreasing separation, suggesting that mergers may have contributed to triggering more luminous AGN. Through X-ray/mid-IR ratio versus X-ray colours, we estimated a fraction of Compton-thin AGN (with 10 22 cm −2 < N H < 10 24 cm −2 ) of about 80 per cent, while about 16 per cent are Compton-thick sources (with N H > 10 24 cm −2 ). These fractions of obscured sources are larger than those found in samples of isolated AGN, confirming that pairs of AGN show higher obscuration. This trend is further confirmed by comparing the de-reddened [O III ] emission with the observed X-ray luminosity. However, the derived fraction of Compton-thick sources in this sample at the early stages of merging is lower than that reported for late-merging dual-AGN samples. Comparing N H from X-rays with that derived from E(B − V ) from narrow-line regions, we found that the absorbing material is likely to be associated with the torus or broad-line regions. We also explored the X-ray detection efficiency of dual-AGN candidates, finding that, when observed properly (at on-axis positions and with long exposures), X-ray data represent a powerful way to confirm and investigate dual-AGN systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Dark energy survey year 3 results: likelihood-free, simulation-based w CDM inference with neural compression of weak-lensing map statistics

We present simulation-based cosmological wcold dark matter (wCDM) inference using dark energy survey year 3 weak-lensing maps, via neural data compression of weak-lensing map summary statistics: power spectra, peak counts, and direct map-level compression/inference with convolutional neural networks (CNN). Using simulation-based inference, also known as likelihood-free or implicit inference, we use forward-modelled mock data to estimate posterior probability distributions of unknown parameters. This approach allows all statistical assumptions and uncertainties to be propagated through the forward-modelled mock data; these include sky masks, non-Gaussian shape noise, shape measurement bias, source galaxy clustering, photometric redshift uncertainty, intrinsic galaxy alignments, non-Gaussian density fields, neutrinos, and non-linear summary statistics. We include a series of tests to validate our inference results. This paper also describes the Gower Street simulation suite: 791 full-sky pkdgrav3 dark matter simulations, with cosmological model parameters sampled with a mixed active-learning strategy, from which we construct over 3000 mock dark energy survey lensing data sets. For wCDM inference, for which we allow –1 < w < –$\frac{1}{3}$⁠, our most constraining result uses power spectra combined with map-level (CNN) inference. Using gravitational lensing data only, this map-level combination gives Ω m = 0.283$^{+0.020}_{–0.027}$⁠, S 8 = 0.804$^{+0.025}_{–0.017⁠}$, and w < –0.80 (with a 68 per cent credible interval); compared to the power spectrum inference, this is more than a factor of two improvement in dark energy parameter (Ω⁠ DE , w⁠) precision.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5′-monophosphate as the biological substrate

Abstract Eukaryotic life benefits from—and ofttimes critically relies upon—the de novo biosynthesis and supply of vitamins and micronutrients from bacteria. The micronutrient queuosine (Q), derived from diet and/or the gut microbiome, is used as a source of the nucleobase queuine, which once incorporated into the anticodon of tRNA contributes to translational efficiency and accuracy. Here, we report high-resolution, substrate-bound crystal structures of the Sphaerobacter thermophilus queuine salvage protein Qng1 (formerly DUF2419) and of its human ortholog QNG1 (C9orf64), which together with biochemical and genetic evidence demonstrate its function as the hydrolase releasing queuine from queuosine-5′-monophosphate as the biological substrate. We also show that QNG1 is highly expressed in the liver, with implications for Q salvage and recycling. The essential role of this family of hydrolases in supplying queuine in eukaryotes places it at the nexus of numerous (patho)physiological processes associated with queuine deficiency, including altered metabolism, proliferation, differentiation and cancer progression.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

A Viable New Strategy for the Discovery of Peptide Proteolytic Cleavage Products in Plant-Microbe Interactions

Small peptides that are proteolytic cleavage products (PCPs) of less than 100 amino acids are emerging as key signaling molecules that mediate cell-to-cell communication and biological processes that occur between and within plants, fungi, and bacteria. Yet, the discovery and characterization of these molecules is largely overlooked. Today, selective enrichment and subsequent characterization by mass spectrometry–based sequencing offers the greatest potential for their comprehensive characterization, however qualitative and quantitative performance metrics are rarely captured. Herein, we addressed this need by benchmarking the performance of an enrichment strategy, optimized specifically for small PCPs, using state-of-the-art de novo–assisted peptide sequencing. As a case study, we implemented this approach to identify PCPs from different root and foliar tissues of the hybrid poplar Populus × canescens 717-1B4 in interaction with the ectomycorrhizal basidiomycete Laccaria bicolor . In total, we identified 1,660 and 2,870 Populus and L. bicolor unique PCPs, respectively. Qualitative results supported the identification of well-known PCPs, like the mature form of the photosystem II complex 5-kDa protein (approximately 3 kDa). A total of 157 PCPs were determined to be significantly more abundant in root tips with established ectomycorrhiza when compared with root tips without established ectomycorrhiza and extramatrical mycelium of L. bicolor . These PCPs mapped to 64 Populus proteins and 69 L. bicolor proteins in our database, with several of them previously implicated in biologically relevant associations between plant and fungus.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Population Genomics of Pseudocercospora griseola Reveals New Groups in the Middle American Clade and the Presence of the Endophytic Bacterium Achromobacter xylosoxidans

Angular leaf spot (ALS), caused by Pseudocercospora griseola is an important disease of common beans. P. griseola, is highly variable and has co-evolved with its host. In this study, 48 isolates of P. griseola from Puerto Rico, Guatemala, Honduras and Tanzania were sequenced (3RADseq), resulting in the de novo assembly of 42,214 contigs. Phylogenomic, population genetic structure and principal component analyses using 1,260 SNPs divided these isolates into two populations, Andean and Middle American, while the Middle American population was further divided into three sub-populations. There were moderate to high levels of differentiation between P. griseola populations, with pairwise Fst values ranging from 0.11 to 0.95. The Andean population was composed of isolates from Tanzania, and was separated from the Middle American population (Fst = 0.95). The Middle American population was separated into 3 subpopulations including isolates from: 1. Guatemala and Honduras, 2. Tanzania, and 3. Puerto Rico. Pathogenicity testing of 27 isolates from Puerto Rico, using 12 common bean differential lines, identified ten races, but these races were not associated with SNPs found in virulence genes. DNA of an endophytic bacterium (Achromobacter xylosoxidans) was found in seven mildly virulent isolates suggesting a possible role of the bacterium in the observed virulence patterns. To understand the evolution and diversity of P. griseola, further study of the virulence genes and the interactions among the endophytic bacterium, the fungus, and the host plant is required. Such information is critical to inform breeding strategies for the development of resistant germplasm and cultivars.

Serrato-Diaz, Luz M. [U.S. Department of Agricultu↗
DOE OSTI2025

First principles study of the Fermi surface topology of CeCu 2 ⁢Si 2

Since the discovery of heavy-fermion superconductivity in CeCu 2 ⁢Si 2 , the material has attracted great interest, particularly with regard to the nature of the superconducting pairing and its mechanism. Consequently, it is essential to better understand the electronic Fermi surface topology and its role in strong antiferromagnetic fluctuations. The standard density functional theory method is insufficient to model the interplay of strong on-site Coulomb repulsion in localized 4⁢𝑓 electrons and their hybridization with itinerant ligand-orbital electrons. We have performed electronic ground-state calculations on CeCu 2 ⁢Si 2 using the Gutzwiller wave function approximation. The Gutzwiller approximation captures the quasiparticle band renormalization from the strong on-site Coulomb repulsion. We have performed an analysis of this effect on the electronic structure and the Fermi surface topology by varying the interaction strength and taking into account the crystal-field splitting. Using the de Haas-van Alphen effect, the extremal Fermi surface cross-sectional areas were calculated to quantify the effects of quasiparticle mass renormalization on the Fermi surface. Our results confirm the presence of two Fermi surface sheets corresponding to the heavy (488⁢𝑚 𝑒 ) and light (4.35⁢𝑚 𝑒 ) quasiparticles when the crystal-field splitting is accounted for on equal footing with the electronic correlations. This method gives the best agreement with experimental measurements as well as the renormalized band method.

36 MATERIALS SCIENCE↗