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Discovery and Timing of Three Millisecond Pulsars in Radio and Gamma-Rays with the Giant Metrewave Radio Telescope and Fermi Large Area Telescope
In this work, we performed deep observations to search for radio pulsations in the directions of 375 unassociated Fermi Large Area Telescope γ-ray sources using the Giant Metrewave Radio Telescope (GMRT) at 322 and 607 MHz. In this paper we report the discovery of three millisecond pulsars (MSPs), PSR J0248+4230, PSR J1207–5050, and PSR J1536–4948. We conducted follow-up timing observations for ~5 yr with the GMRT and derived phase-coherent timing models for these MSPs. PSR J0248+4230 and J1207–5050 are isolated MSPs having periodicities of 2.60 ms and 4.84 ms. PSR J1536–4948 is a 3.07 ms pulsar in a binary system with an orbital period of ~62 days about a companion of a minimum mass of 0.32 M⊙. We also present multifrequency pulse profiles of these MSPs from the GMRT observations. PSR J1536–4948 is an MSP with an extremely wide pulse profile having multiple components. Using the radio timing ephemeris we subsequently detected γ-ray pulsations from these three MSPs, confirming them as the sources powering the γ-ray emission. For PSR J1536–4948 we performed combined radio–γ-ray timing using ~11.6 yr of γ-ray pulse times of arrival (TOAs) along with the radio TOAs. PSR J1536–4948 also shows evidence for pulsed γ-ray emission out to above 25 GeV, confirming earlier associations of this MSP with a ≥10 GeV point source. The multiwavelength pulse profiles of all three MSPs offer challenges to models of radio and γ-ray emission in pulsar magnetospheres.
Saturated Bioenergy Buffers: Site Suitability Classification and Estimated Areas of Candidate Sites in the U.S. Midwest Under Three Scenarios
The loss of nutrients applied to tile-drained row-crop fields is a critically important component of agriculture’s impact on surface water quality, because drain tiles provide a short circuit to ditches and creeks, resulting in rapid nutrient loss. This nutrient loss ultimately advances eutrophication and hypoxia, i.e., the creation of dead zones in bodies of water, both locally and regionally (for example, in western Lake Erie and the Gulf of Mexico). Saturated buffers help address the tile-drainage water quality problem, and incorporating bioenergy crops into saturated bioenergy buffers could provide both environmental protection and an additional source of income for farmers.
Evaluation of DED and LPBF Fe-based Alloys Process Application Envelopes based on Performance, Process Economics, Supply Chain Risks, and Reactor-specific Targeted Components
The U.S. Department of Energy (DOE), Office of Nuclear Energy (NE), Advanced Materials and Manufacturing Technologies (AMMT) program aims to develop extreme-environment materials solutions for use in the deployment of advanced nuclear reactors and the sustainment of the current fleet. To achieve this objective, a combination of experiment, a computational tool, and machine learning (ML) for the design of materials is adopted for the maturation of materials for nuclear technology. Through advanced manufacturing techniques such as laser powder bed fusion (LPBF) and laser powder direct energy deposition (LP-DED), components with complex geometries can be fabricated with reduced time and effort. Such advanced manufacturing methods can also provide the opportunity to improve materials performance through optimized microstructures and mechanical properties. However, existing engineering alloys are not always well suited for fabrication with additive manufacturing (AM), as their compositions have been tuned to optimize fabrication via conventional methods. Thus, similar alloys with modified compositions that are better suited for AM can be studied for improved performance. Over the past three years, the AMMT teams from Argonne National Laboratory (ANL) and Pacific Northwest National Laboratory (PNNL) studied various known Fe-based alloys by evaluating their initial printability using LPBF, and an AMMT-developed down-selection and decision matrix reduced the number of alloys to be studied from six to three in fiscal year (FY) 2024. Additionally, in FY 2024, for parallel evaluation, these three alloys were studied using LPDED. While LPBF is better for small- to medium-sized components with high detail and internal features, LP-DED combines a material feed system to place the powder onto the exact spot where the laser will melt the material. This AM method can be easily scaled to extremely large components and provides high build rate speeds compared to those of conventional LPBF systems. Additionally, DED is a better choice for complex geometries and compositional gradients.
p -Coumaroylated Lignins Are Natively Produced in Three Rosales Families
Carbon-rich plant cell walls contain biopolymers that, with some processing, could replace fossil fuels as a major component of the current petrochemical production. To realize this, biorefineries need to be paired with biomass that during the deconstruction and fractionation processes transforms into the desired products. One component of interest is p-coumarate that, in some species, can account for up to 1% of the biomass’ dry weight. When p-coumarate is present in eudicot cell walls, it is mostly part of the suberin (bark and root), acylates the γ-hydroxy group of the lignin, in part of the tannins, or is a metabolite. The current understanding of eudicot plant cell wall composition is that the lignin is sometimes acylated with acetate and rarely with hydroxycinnamates (p-coumarate or ferulate). This study identified a clear division in the Rosales in which three families produce p-coumaroylated lignins whereas the other six families showed no evidence of the trait.
How to calculate the rate constants for nonradiative transitions between the M S components of spin multiplets?
Predicting the rates of spin-dependent processes characterized by nonradiative transitions between electronic states with different spin multiplicities is important for understanding the mechanisms of many photochemical and catalytic reactions. To calculate these rates, it is necessary to define the spin state representation and the couplings between these states that drives the interstate transitions. In this work, we describe three different approaches to calculating the spin-orbit coupling (SOC), transition probabilities, and rate constants between the MS components of the electronic states with different spin multiplicities. We implemented these approaches in our nonadiabatic statistical theory (NAST) software package, which predicts the transition probabilities and rate constants of spin-dependent processes using information obtained from electronic structure calculations. Here, we discuss the advantage and drawbacks of each approach and, as an example, calculate the rate constants for transitions between the spin states in the active site model of the protein rubredoxin.
Three-loop soft function for heavy-to-light quark decays
We compute the 1-jettiness soft function for the decay of a heavy quark into a light quark jet plus colorless particles at three-loop order in soft-collinear effective theory. The 1-jettiness measurement fixes the total small light-cone momentum component of the soft radiation with respect to the jet direction. This soft function is a universal ingredient to the factorization of heavy-to-light quark decays in the limit of small 1-jettiness. Our three-loop result is required for resummation at the N 3 LL' level, e.g. near the endpoint in the photon energy spectrum of the B → X s γ decay. It is also a necessary ingredient for future calculations of fully-differential heavy-to-light quark decay rates at N 3 LO using the N -jettiness subtraction method, e.g. for semileptonic top decays. Using our result for the soft anomalous dimension we confirm predictions on the universal infrared structure of QCD scattering amplitudes with a massive external quark at three loops.
Wild Isolates of Neurospora crassa Reveal Three Conidiophore Architectural Phenotypes
The vegetative life cycle in the model filamentous fungus, Neurospora crassa, relies on the development of conidiophores to produce new spores. Environmental, temporal, and genetic components of conidiophore development have been well characterized; however, little is known about their morphological variation. We explored conidiophore architectural variation in a natural population using a wild population collection of 21 strains from Louisiana, United States of America (USA). Our work reveals three novel architectural phenotypes, Wild Type, Bulky, and Wrap, and shows their maintenance throughout the duration of conidiophore development. Furthermore, we present a novel image-classifier using a convolutional neural network specifically developed to assign conidiophore architectural phenotypes in a high-throughput manner. To estimate an inheritance model for this discrete complex trait, crosses between strains of each phenotype were conducted, and conidiophores of subsequent progeny were characterized using the trained classifier. Our model suggests that conidiophore architecture is controlled by at least two genes and has a heritability of 0.23. Additionally, we quantified the number of conidia produced by each conidiophore type and their dispersion distance, suggesting that conidiophore architectural phenotype may impact N. crassa colonization capacity.
Integrated simulations of premagnetized and self-magnetizing dynamic screw pinch-driven MagLIF
Magnetically driven implosions such as in magnetized liner inertial fusion (MagLIF) on the Z accelerator suffer from magneto-Rayleigh–Taylor instabilities (MRTI) that dynamically redistribute liner mass during implosion, limiting fusion fuel compression and confinement, which ultimately degrades performance. Driving the implosion with an initially helical drive field that dynamically shifts the direction of the magnetic field surrounding the liner (i.e., a dynamic screw pinch, DSP) is a method proposed to mitigate MRTI in-flight and improve target performance. In DSPs, the axial drive magnetic field component implodes the liner and diffuses through the shocked, melted liner material into the fuel throughout the implosion. Liners can be designed to enable enough axial magnetic flux to diffuse through the liner material to effectively magnetize the fuel region without the need of an initial axial magnetic field (i.e., from external field coils). We present results from three-dimensional radiation-magnetohydrodynamic simulations of MagLIF implosions employing drive magnetic fields composed of axial and azimuthal components (a helical drive field). These simulated DSP-driven MagLIF targets demonstrate improved fuel conditions and thermonuclear yield compared to a traditional MagLIF target implosion. Synthetic x-ray radiography of the imploding liner material and x-ray emission images of the fuel region at the time of peak neutron yield rate indicate superior implosion morphology for DSP-MagLIF implosions.
Comparative transcriptomics of CAZy enzymes in white- and brown-rot agaricomycetes: Evolutionary insights into lignocellulose degradation and the relevance of GH16 glycoside hydrolase functional divergence
White-rot and brown-rot fungi (WRF and BRF, respectively) decompose lignocellulose, the main structural component of plant biomass, through distinct mechanisms. This study examines the transcriptomic responses of three WRF species (Pleurotus ostreatus, Phanerochaete chrysosporium, and Heterobasidion irregulare) and two BRF species (Fomitopsis schrenkii and Rhodonia placenta) grown on poplar wood (W) and glucose (G) as sole carbon sources. RNA-seq analysis revealed upregulation of carbohydrate-active enzymes (CAZymes) linked to lignocellulose degradation. WRF displayed a broader enzymatic repertoire, whereas BRF employed a more selective approach. Among these responses, GH16 glycoside hydrolases were consistently upregulated across all species, including BRF. Since GH16 enzymes are involved in both plant hemicellulose modification and cell wall remodeling, their wood-induced expression may reflect multiple processes rather than a single conserved wood-decay mechanism. Structural and phylogenetic analyses revealed species-specific divergence, consistent with potential functional specialization. These findings broaden our understanding of fungal enzymatic strategies and highlight GH16 enzymes as candidates for further study. Beyond the immediate context of wood decay, this work has broader implications for fungal ecology, evolutionary biology, and biotechnological applications such as biomass conversion and sustainable bioenergy.
Temperature-Dependent Optical and Structural Properties of Chiral Two-Dimensional Hybrid Lead-Iodide Perovskites
Layered hybrid halide perovskites gain chirality via the incorporation of chiral organic cations in the spacer layer. These so-called chiral two-dimensional (2D) halide perovskites have attracted considerable interest recently for chiral optoelectronic, spintronic, and ferroelectric applications. However, the effect of temperature on these materials, especially how the structure changes with temperature and its impact on the chiral optoelectronic properties, remains an open question. Here, we study the effect of temperature change on chiral optoelectronic and structural properties through temperature-dependent circularly polarized photoluminescence (CPPL) microscopy and synchrotron powder X-ray diffraction as well as pair distribution function analysis to elucidate the intrinsic chiral optoelectronic and structural variations for R-, S-, and racemic-methylbenzylamine lead iodide. Here our results show that the temperature-induced band gap changes indicate a strong electron–phonon coupling compared to the thermal-induced lattice expansion in chiral 2D perovskites. From powder diffraction measurements, a monotonic lattice expansion is observed on heating with no structural phase transitions over 90–360 K detected for the three samples studied herein. Locally, a strongly anisotropic and even negative expansion in some components of the instantaneous Pb–I pair-distance distribution is suggestive of coupling between dynamical intralayer distortions and lattice expansion. This work provides insights into the fundamental understanding of the temperature effect on chiral optoelectronic and structural properties of chiral 2D perovskites, which can lead to new chiral materials design strategies for future chiral optoelectronic applications.
Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Emerging SARS-CoV-2 variants continue to threaten the effectiveness of COVID-19 vaccines, and small-molecule antivirals can provide an important therapeutic treatment option. The viral main protease (Mpro) is critical for virus replication and thus is considered an attractive drug target. We performed the design and characterization of three covalent hybrid inhibitors BBH-1, BBH-2 and NBH-2 created by splicing components of hepatitis C protease inhibitors boceprevir and narlaprevir, and known SARS-CoV-1 protease inhibitors. A joint X-ray/neutron structure of the M pro /BBH-1 complex demonstrates that a Cys145 thiolate reaction with the inhibitor’s keto-warhead creates a negatively charged oxyanion. Protonation states of the ionizable residues in the M pro active site adapt to the inhibitor, which appears to be an intrinsic property of M pro . Structural comparisons of the hybrid inhibitors with PF-07321332 reveal unconventional F···O interactions of PF-07321332 with Mpro which may explain its more favorable enthalpy of binding. BBH-1, BBH-2 and NBH-2 exhibit comparable antiviral properties in vitro relative to PF-07321332, making them good candidates for further design of improved antivirals.
Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs
Pathway complexity results in unique materials from the same components according to the assembly conditions. Here a chiral acyl-semicarbazide gelator forms three different gels of contrasting fibre morphology (termed ‘gelmorphs’) as well as lyotropic liquid crystalline droplets depending on the assembly pathway. The gels have morphologies that are either hyperhelical (HH-Gel), tape-fibre (TF-Gel) or thin fibril derived from the liquid crystalline phase (LC-Gels) and exhibit very different rheological properties. The gelator exists as three slowly interconverting conformers in solution. All three gels are comprised of an unsymmetrical, intramolecular hydrogen bonded conformer. The kinetics show that formation of the remarkable HH-Gel is cooperative and is postulated to involve association of the growing fibril with a non-gelling conformer. This single molecule dynamic conformational library shows how very different materials with different morphology and hence very contrasting materials properties can arise from pathway complexity as a result of emergent interactions during the assembly process.
Implementation of extreme ultraviolet spectroscopy on a sheared-flow-stabilized Z pinch
A diagnostic for extreme ultraviolet spectroscopy was fielded on the sheared-flow-stabilized (SFS) fusion Z-pinch experiment (FuZE-Q) for the first time. The spectrometer collected time-gated plasma emission spectra in the 5–40 nm wavelength (30–250 eV) range for impurity identification, radiative power studies, and for plasma temperature and density measurements. The unique implementation of the diagnostic included fast (10 ns risetime) pulsed high voltage electronics and a multi-stage differential pumping system that allowed the vacuum-coupled spectrometer to collect three independently timed spectra per FuZE-Q shot while also protecting sensitive internal components. Analysis of line emission identifies oxygen (N-, C-, B-, Be-, Li-, and He-like O), peaking in intensity shortly after maximum current (>500 kA). This work provides a foundation for future high energy spectroscopy experiments on SFS Z-pinch devices.
Results from a synthetic model of the ITER XRCS-Core diagnostic based on high-fidelity x-ray ray tracing
A high-fidelity synthetic diagnostic has been developed for the ITER core x-ray crystal spectrometer diagnostic based on x-ray ray tracing. This synthetic diagnostic has been used to model expected performance of the diagnostic, to aid in diagnostic design, and to develop engineering tolerances. The synthetic model is based on x-ray ray tracing using the recently developed xicsrt ray tracing code and includes a fully three-dimensional representation of the diagnostic based on the computer aided design. The modeled components are: plasma geometry and emission profiles, highly oriented pyrolytic graphite pre-reflectors, spherically bent crystals, and pixelated x-ray detectors. Plasma emission profiles have been calculated for Xe 44+ , Xe 47+ , and Xe 51+ , based on an ITER operational scenario available through the Integrated Modelling & Analysis Suite database, and modeled within the ray tracing code as a volumetric x-ray source; the shape of the plasma source is determined by equilibrium geometry and an appropriate wavelength distribution to match the expected ion temperature profile. All individual components of the x-ray optical system have been modeled with high-fidelity producing a synthetic detector image that is expected to closely match what will be seen in the final as-built system. Particular care is taken to maintain preservation of photon statistics throughout the ray tracing allowing for quantitative estimates of diagnostic performance.
Assessing plasma face component thermal response to rotating 3D magnetic fields for SPARC tokamak
Thermal response simulations of plasma-facing components (PFCs) in the SPARC tokamak, performed with the HEAT code, show that three-dimensional (3D) heat loads resulting from stationary n=1 perturbations require highly radiative scenarios, with up to 95% of the power crossing the separatrix (P SOL ) being radiated, to maintain PFC temperatures within acceptable operational limits, whereas the application of slowly rotating 3D fields substantially reduces the thermal loads. The HEAT module, developed to predict heat loads from non-axisymmetric plasmas, is extended to model time-dependent heat flux patterns generated by rotating 3D fields, and a comprehensive thermal analysis is performed on PFCs subjected to both the maximum and minimum power loads, as well as to rotating heat flux distributions, to evaluate the temperature evolution for varying perturbation amplitudes and rotation frequencies. The extension of this analysis to 3D fields with toroidal mode number n=2 shows that this configuration leads to weaker localized heat flux peaks relative to the n=1 case, enabling safe operation with less than 80% of the power radiated when static 3D fields of low amplitude are applied, while using slowly rotating fields at higher amplitudes. These results indicate that n=2 perturbations are generally less detrimental to divertor power exhaust, emphasizing the strong dependence of divertor power exhaust on the characteristics of the applied 3D fields.
Fluctuating charge-density-wave correlations in the three-band Hubbard model
The high-temperature superconducting cuprates host unidirectional spin- and charge-density-wave orders that can intertwine with superconductivity in nontrivial ways. While the charge components of these stripes have now been observed in nearly all cuprate families, their detailed evolution with doping varies across different materials and at high and low temperatures. We address this problem using nonperturbative determinant quantum Monte Carlo calculations for the three-band Hubbard model. Using an efficient implementation, we can resolve the model’s fluctuating spin and charge modulations and map their evolution as a function of the charge transfer energy and doping. We find that the incommensurability of the charge modulations is decoupled from the spin modulations and decreases with hole doping, consistent with experimental measurements at high temperatures. These findings support the proposal that the high-temperature charge correlations are distinct from the intertwined stripe order observed at low-temperature and in the single-band Hubbard model.
Impact of Additive Manufacturing on Internal Cooling Channels With Varying Diameters and Build Directions
Abstract The use of additive manufacturing (AM) processes, such as direct metal laser sintering, provides the design freedom required to incorporate complex cooling schemes in gas turbine components. Additively manufactured turbine components have a range of cooling feature sizes and, because of the inherent three-dimensionality, a wide range of build angles. Previous studies have shown that AM built directions influence internal channel surface roughness that, in turn, augment heat transfer and pressure loss. This study investigates the impact of AM on channel feature size and builds direction relative to tolerance, surface roughness, pressure losses, and convective cooling. Multiple AM coupons were built from Inconel 718 consisting of channels with different diameters and a variety of build directions. An experimental rig was used to measure pressure drop to calculate friction factor and was used to impose a constant surface temperature boundary condition to collect Nusselt number over a range of Reynolds numbers. Significant variations in surface roughness and geometric deviations from the design intent were observed for distinct build directions and channel sizes. These differences led to notable impacts in friction factor and Nusselt number augmentations, which were a strong function of build angle.