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At least 631 records · Page 35

High repetition-rate 0.5 Hz broadband neutron source driven by the Advanced Laser Light Source

Neutron beams are an essential tool to investigate material structure and perform nondestructive analysis, as they give unique access to element composition, thus ideally complementing density analysis allowed by standard x-rays investigation. Laser-driven neutron sources, though compact and cost-effective, currently have lower average flux than conventional neutron sources, due to the limited repetition rate of the lasers used so far. However, advancements in laser technology allow nowadays to address this challenge. Here, we report results obtained at the Advanced Laser Light Source characterizing stable production of broadband (0.1–2 MeV) neutrons produced at a high repetition rate (0.5 Hz). The interaction of laser pulses of 22 fs duration and 3.2 J on-target energy with 2-μm-thick tantalum targets produced protons in the Target Normal Sheath Acceleration (TNSA) regime up to 7.3 MeV. These protons were subsequently converted into neutrons by (p,n) reactions in lithium fluoride (LiF). Activation measurements and bubble detectors were used to characterize neutron emissions, with a neutron fluence of up to ∼1.4×105 neutrons/shot/sr and energies mainly between a few hundred of kilo-electron volt and 2 MeV. The total neutron yield was ∼5×105 neutrons/shot. This paves the way for numerous applications, e.g., in homeland security, materials science, or cultural heritage.

Physics↗

Structural, biophysical, and biochemical insights into C–S bond cleavage by dimethylsulfone monooxygenase

Sulfur is an essential element for life. Bacteria can obtain sulfur from inorganic sulfate; but in the sulfur starvation–induced response,Pseudomonadsemploy two-component flavin-dependent monooxygenases (TC-FMOs) from themsuandsfnoperons to assimilate sulfur from environmental compounds including alkanesulfonates and dialkylsulfones. Here, we report binding studies of oxidized FMN to enzymes involved within theP. fluorescensenzymatic pathway responsible for converting dimethylsulfone (DMSO 2 ) to sulfite. In this catabolic pathway, SfnG serves as the initial TC-FMO for sulfur assimilation, which is investigated in detail by solving the 2.6-Å resolution crystal structure of unliganded SfnG and the 1.75-Å resolution crystal structure of the SfnG ternary complex containing FMN and DMSO 2 . We find that SfnG adopts a (β/α) 8 barrel fold with a distinct quaternary configuration from other tetrameric class C TC-FMOs. To probe the unexpected tetramer arrangement, structural heterogeneity is assessed by chromatography and light scattering to confirm ligand binding correlates with a tetramer. Binding of FMN and DMSO 2 accompanies ordering of the active site, with DMSO 2 bound on thesi-face of the flavin. A previously unobserved protein backbone conformation is found within the oxygen-binding site on there-face of the flavin. Functional assays and the positioning of ligands with respect to the oxygen-binding site are consistent with use of an N5-(hydro)peroxyflavin pathway. Biochemical endpoint assays and docking studies reveal SfnG breaks the C–S bond of a range of dialkylsulfones.

Science & Technology - Other Topics↗

Structural and magnetic properties of CoTeMo⁢O 6

Here, we have conducted a comprehensive investigation into the magnetic properties of the chiral multiferroic material CoTeMo⁢O 6 . In contrast with the previous claim of canted antiferromagnetic order with ferromagnetic components [Y. Doi et al., J. Solid State Chem. 182, 3232 (2009)], our investigation reveals an antiferromagnetic ground state with compensated moments, providing an interesting platform for exploring exotic material properties. Through careful measurements of magnetization under a series of applied fields, we demonstrate that there exist two sequential field-induced magnetic transitions in CoTeMo⁢O 6 , with one occurring at 𝐻 𝑐⁢1 =460 Oe along the 𝑎 axis, and the other at 𝐻 𝑐⁢2 =1.16 T with the field along the 𝑏 axis. The values of 𝐻 𝑐⁢1 and 𝐻 𝑐⁢2 exhibit strong angular dependence and diverge with different rates as the applied field is rotated 90 ° within the 𝑎⁢𝑏 plane. This reflects the distinct nature of these transitions, which is further supported by the different critical behavior of 𝐻 𝑐⁢1 and 𝐻 𝑐⁢2 , characterized by the values of 𝛾, in the function of 𝐻 𝑐 =𝐻 0 ⁡(1−𝑇/𝑇 𝑐 ) 𝛾 . Furthermore, we have demonstrated that there exist structural and magnetic twin domains in CoTeMo⁢O 6 that strongly affect the experimental measurement of their macroscopic properties. Intriguingly, these twin domains can be related to the orthorhombicity/chirality of the crystal structure with the space group 𝑃⁢2 1 ⁢2 1⁢ 2. We further explored the magnetic and structural domains with uniaxial pressure and polarized light microscopy. Our results suggest that CoTeMo⁢O 6 could be used as a unique platform for investigating the intriguing physics involving intertwined degrees of freedom. The tunability of the underlying domain distribution and its strong anisotropy could also be useful for developing functional devices and applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dark matter microhalos from simplified models

Here, we introduce simplified models for enhancements in the matter power spectrum at small scales and study their implications for dark matter substructure and gravitational observables. These models capture the salient aspects of a variety of early Universe scenarios that predict enhanced small-scale structure, such as axionlike particle dark matter, light vector dark matter, and epochs of early matter domination. We use a model-independent, semianalytic treatment to map bumps in the matter power spectrum to early forming subsolar mass dark matter halos and estimate their evolution, disruption, and contribution to the substructure of clusters and galaxies at late times. We discuss the sensitivity of gravitational observables, including pulsar timing arrays and caustic microlensing, to both the presence of bumps in the power spectrum and variations in their basic properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sublattice-Dependent Antiferromagnetic Transitions in Rare Earth Nickelates

Perovskite rare earth nickelates exhibit remarkably rich physics in their metal-insulator and antiferromagnetic transitions, and there has been a long-standing debate on whether their magnetic structures are collinear or noncollinear. Through symmetry consideration based on the Landau theory, we discover that the antiferromagnetic transitions on the two nonequivalent Ni sublattices occur separately at different Néel temperatures induced by the O breathing mode. It is manifested by two kinks on the temperature-dependent magnetic susceptibilities with the secondary kink being continuous in the collinear magnetic structure but discontinuous in the noncollinear one. Here, the prediction on the secondary discontinuous kink is corroborated by an existing magnetic susceptibility measurement on bulk single-crystalline nickelates, thus strongly supporting the noncollinear nature of the magnetic structure in bulk nickelates, thereby shedding new light on the long-standing debate.

36 MATERIALS SCIENCE↗

Fermi Surface Nesting Driving the RKKY Interaction in the Centrosymmetric Skyrmion Magnet Gd 2 PdSi 3

The magnetic skyrmions generated in a centrosymmetric crystal were recently first discovered in Gd 2 PdSi 3 . In light of this, we observe the electronic structure by angle-resolved photoemission spectroscopy (ARPES) and unveil its direct relationship with the magnetism in this compound. The Fermi surface and band dispersions are demonstrated to have a good agreement with the density functional theory (DFT) calculations carried out with careful consideration of the crystal superstructure. Most importantly, we find that the three-dimensional Fermi surface has extended nesting which matches well the q vector of the magnetic order detected by recent scattering measurements. Finally, the consistency we find among ARPES, DFT, and the scattering measurements suggests the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction involving itinerant electrons to be the formation mechanism of skyrmions in Gd 2 PdSi 3 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Photon energy and polarization-dependent electronic structure of Cr-doped Bi 2 Se 3

In this article, we report a comparative study of the electronic structure of Cr-doped and pristine Bi 2 Se 3 . Circular dichroism and photon-energy-dependent angle-resolved photoemission experiments were performed. Even though the surface states seen on the Cr-doped samples are gapped, they exhibit strong circular dichroism, for which we provide its origin in accordance with the nontrivial band structure of the bulk. We note the surface electronic structure measurements with linear and circular polarized light show signatures that the orbital composition of the surface states is changed with Cr doping. Our observations not only provide further spectroscopic information about topological materials, but also promotes an alternative experimental tool to control their spin-orbital texture.

36 MATERIALS SCIENCE↗

Orientational analysis of atomic pair correlations in nanocrystalline indium oxide thin films

The application of grazing-incidence total X-ray scattering (GITXS) for pair distribution function (PDF) analysis using >50 keV X-rays from synchrotron light sources has created new opportunities for structural characterization of supported thin films with high resolution. Compared with grazing-incidence wide-angle X-ray scattering, which is only useful for highly ordered materials, GITXS/PDFs expand such analysis to largely disordered or nanostructured materials by examining the atomic pair correlations dependent on the direction relative to the surface of the supporting substrate. A characterization of nanocrystalline In 2 O 3 -derived thin films is presented here with in-plane-isotropic and out-of-plane-anisotropic orientational ordering of the atomic structure, each synthesized using different techniques. The atomic orientations of such films are known to vary based on the synthetic conditions. Here, an azimuthal orientational analysis of these films using GITXS with a single incident angle is shown to resolve the markedly different orientations of the atomic structures with respect to the planar support and the different degrees of long-range order, and hence, the terminal surface chemistries. It is anticipated that orientational analysis of GITXS/PDF data will offer opportunities to extend structural analyses of thin films by providing a means to qualitatively determine the major atomic orientation within nanocrystalline and, eventually, non-crystalline films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancing Diagnosis through AI-driven Analysis of Reflectance Confocal Microscopy

Reflectance Confocal Microscopy (RCM) is a non-invasive imaging technique used in biomedical research and clinical dermatology. It provides virtual high-resolution images of the skin and superficial tissues, reducing the need for physical biopsies. RCM employs a laser light source to illuminate the tissue, capturing the reflected light to generate detailed images of microscopic structures at various depths. Recent studies explored AI and machine learning, particularly CNNs, for analyzing RCM images. Our study proposes a segmentation strategy based on textural features to identify clinically significant regions, empowering dermatologists in effective image interpretation and boosting diagnostic confidence. This approach promises to advance dermatological diagnosis and treatment.

Yoon, Hong-Jun↗

Mesoscale simulations of High Burnup Fuel Fragmentation: Applying phase-field modeling to understand high burnup fuel fragmentation during loss of coolant accident conditions

During a loss-of-coolant accident (LOCA) in a nuclear power plant, a rapid increase in temperature is experienced in the fuel. In commercial light water reactors (LWRs), the high burnup structure (HBS) forms in regions of the UO 2 fuel where local burnup is high, characterized by smaller grain sizes and large, overpressurized bubbles. During a LOCA transient, fuel in the HBS region is susceptible to fine fragmentation, where the fuel breaks up into micron-size fragments (sometimes referred to as pulverization). To better understand the mechanisms behind this phenomenon, mesoscale computational modeling using the Idaho National Laboratory code Marmot has been employed to simulate the process of HBS formation and response to a LOCA transient. The process of complete and partial HBS formation was demonstrated in prototypical LWR conditions. The simulated HBS microstructures from these simulations were passed to a phase-field model of fracture. To provide a more direct comparison with experiments, a set of experiments conducted by Studsvik on fine fragmentation/pulverization during LOCA conditions was simulated using the BISON fuel performance code. The temperature profiles from the BISON simulations were passed to a phase-field model to determine the gas bubble pressure as a function of time. These pressure histories were used in a phase-field model of fracture to determine under what conditions and in which types of bubbles fine fragmentation was likely to occur.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

APS Science 2020 (Vol. 2)

The U.S. Department of Energy's Advanced Photn Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

01 COAL, LIGNITE, AND PEAT↗

APS Science 2020 (Vol. 1)

The U.S. Department of Energy's Advanced Photon Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

25 ENERGY STORAGE↗

Molecular level insight into non-bilayer structure formation in thylakoid membranes: a molecular dynamics study

In oxygenic photosynthetic organisms, the light reactions are performed by protein complexes embedded in the lipid bilayer of thylakoid membranes (TMs). The organization of the bulk lipid molecules into bilayer structures provide optimal conditions for the build-up of the proton motive force (pmf) and its utilization for ATP synthesis. However, the lipid composition of TMs is dominated by the non-bilayer lipid species monogalactosyl diacylglycerol (MGDG), and functional plant TMs, besides the bilayer, contain large amounts of non-bilayer lipid phases. Bulk lipids have been shown to be associated with lumenal, stromal-side and marginal-region proteins and proposed to play roles in the self-assembly and photoprotection of the photosynthetic machinery. Furthermore, it has recently been pointed out that the generation and utilization of pmf for ATP synthesis according to the ‘protet’ or protonic charge transfer model Kell (Biochim Biophys Acta Bioenerg 1865(4):149504, 2024), requires high MGDG content Garab (Physiol Plant 177(2):e70230, 2025). In this study, to gain better insight into the structural and functional roles of MGDG, we employed all atom and coarse-grained molecular dynamics simulations to explore how temperature, hydration levels and varying MGDG concentrations affect the structural and dynamic properties of bilayer membranes constituted of plant thylakoid lipids. Our findings reveal that MGDG promotes increased membrane fluidity and dynamic fluctuations in membrane thickness. MGDG-rich stacked bilayers spontaneously formed inverted hexagonal phases; these transitions were enhanced at low hydration levels and at elevated but physiologically relevant temperatures. It can thus be inferred that MGDG plays important roles in heat and drought stress mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗

X-ray diffraction of metastable structures from supercooled liquid hydrogen

We report time resolved observations of the crystallization from liquid hydrogen, supercooled to temperatures below the melting point, using 11.2 keV X-ray diffraction from the Linac Coherent Light Source (LCLS). Changes to the metastable solid and liquid structure factors have been dynamically measured. This allows for a direct determination of the lowest energy crystal polymorphs, the stacking probabilities, as well as the liquid and solid densities and temperatures. Such measurements provide experimental evidence of an Arrhenius-like growth kinetics along the stacking direction during supercooling.

36 MATERIALS SCIENCE↗

Tensor network simulations of quasi-GPDs in the massive Schwinger model

Generalized parton distribution functions (GPDs) are off-diagonal light-cone matrix elements that encode the internal structure of hadrons in terms of quark and gluon degrees of freedom. In this work, we present the first nonperturbative study of quasi-GPDs in the massive Schwinger model, quantum electrodynamics in 1+1 dimensions (QED 2 ), within the Hamiltonian formulation of lattice field theory. Quasidistributions are spatial correlation functions of boosted states, which approach the relevant light-cone distributions in the luminal limit. Using tensor networks, we prepare the first excited state in the strongly coupled regime and boost it to close to the light-cone on lattices of up to 400 lattice sites. We compute both quasiparton distribution functions and, for the first time, quasi-GPDs, and study their convergence for increasingly boosted states. In addition, we perform analytic calculations of GPDs in the two-particle Fock-space approximation and in the Reggeized limit, providing qualitative benchmarks for the tensor network results. Our analysis establishes computational benchmarks for accessing partonic observables in low-dimensional gauge theories, offering a starting point for future extensions to higher dimensions, non-Abelian theories, and quantum simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fracture Failure Analysis for MQXFA Magnet Aluminum Shells

The High-Luminosity LHC Accelerator Upgrade Project (HL-LHC AUP) is approaching the production phase of the US-contributed Q1 and Q3 Interaction Region Quadrupoles (MQXFA). The structures for the MQXFA prototypes were design and inspected by the US-LARP (LHC Accelerator Research Program), AUP developed criteria, which will be used for the pre-series structures. As the first two full-length prototypes with 4.2 m magnetic length, MQXFAP1 and MQXFAP2, were designed and assembled at Lawrence Berkeley National Laboratory (LBNL), and tested at Brookhaven National Laboratory (BNL). The end aluminum short shell of MQXFAP2 was fractured along the shell length during the test, and tests were stopped. Analytical and Finite Element analysis were performed in light of the graded procedure defined in the Structure Design Criteria to investigate the fracture failure for MQXFAP2. In this paper, we report the fracture analysis of the current shell design, including the elasto-plastic simulations with submodel technique, and calculations with Linear Elastic Fracture Mechanics (LEFM). Test material properties are also presented. The results of this analysis explain why the end shell of MQXFAP2 failed, and suggest fillets on the end shell notches to meet the margin specified in the Structural Design Criteria.

43 PARTICLE ACCELERATORS↗

Magnetic domain engineering in SrRuO3 thin films

Abstract Magnetic domain engineering in ferromagnetic thin films is a very important route toward the rational design of spintronics and memory devices. Although the magnetic domain formation has been extensively studied, artificial control of magnetic domain remains challenging. Here, we present the control of magnetic domain formation in paradigmatic SrRuO 3 /SrTiO 3 heterostructures via structural domain engineering. The formation of structural twin domains in SrRuO 3 films can be well controlled by breaking the SrTiO 3 substrate symmetry through engineering miscut direction. The combination of x-ray diffraction analysis of structural twin domains and magnetic imaging of reversal process demonstrates a one-to-one correspondence between structural domains and magnetic domains, which results in multi-step magnetization switching and anomalous Hall effect in films with twin domains. Our work sheds light on the control of the magnetic domain formation via structural domain engineering, which will pave a path toward desired properties and devices applications.

Materials Science↗

Complete spectroscopy in the attosecond regime

Harnessing light waveforms at attosecond time scales provides information of the structure and dynamics of matter on it's natural time scales. For this reason attosecond metrology has been at the forefront of the optical sciences for more than a decade, and it represents the latest time-domain frontier of the quantum world. Attosecond light pulses are commonly generated using higher-order harmonic generation (HHG) , a process capable of generating XUV coherent pulses. In addition to generate attosecond pulses, HHG can be used to study the structure and dynamics of atoms and molecules by analyzing the spectral content of the XUV pulses. This approach is known as HHG spectroscopy and it provides a coherent, time-dependent approach to study structure and dynamics in the quantum world. In this proposal we will generate harmonics from two optical foci produced by a system of a two-dimensional spatial light modulator (SLM) and a lens. In the far eld the train of attosecond pulses will interfere creating harmonic-dependent fringes. The position of such fringes is a direct measurement of the relative phase between the two foci and they also carry information about the quantum state of the target atom or molecule. Therefore, by measuring the amplitude and relative phase of the emitted harmonics we will have access to both, the amplitude and phase of the dipole moments of the studied target. Because the two beams are completely indistinguishable from each other up to a few millimeters from the focus, both driving pulses share the exact beam path. So far we have measured a jitter of 700 zeptoseconds with a 12.5 attosecond resolution in the delay control of the two foci. These two time scales represent some of the best time controls ever achieved to date.

74 ATOMIC AND MOLECULAR PHYSICS↗