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At least 775 records · Page 43

Development of Lattice-Mismatched GaInAsP for Radiation Hardness

We develop lattice-mismatched GaInAsP as an alternative alloy to pure As-based alloys currently used in III-V multijunction solar cells. Increasing the alloy phosphorous and indium content while maintaining an optimal bandgap may allow high efficiency multijunction devices with increased radiation hardness. Here, 1.0-eV GaInAsP is developed and implemented into single and multijunction solar cell devices. The lattice-mismatched GaInAsP must be grown strain free, and the subcell thickness must be maintained below the thickness where surface-driven phase separation occurs. As observed in transmission electron microscopy and cathodoluminescence imaging, phase separation strengthens in the GaInAsP layer and leads to interfacial defect formation when the cell thickness is too great. We show single junction 1.0-eV Ga 0.5 In 0.5 As 0.7 P 0.3 with excellent carrier collection and a bandgap-voltage offset of 0.40 V. This material quality approaches that of 1.0-eV Ga 0.7 In 0.3 As used in inverted metamorphic multijunction devices, but has increased phosphorus content and consequently is expected to have a higher radiation resistance. We incorporate the 1.0-eV GaInAsP subcell into a 3-junction inverted metamorphic solar cell to test the performance of the subcell in a multijunction. No additional loss is observed upon integration into a multijunction cell: both the carrier collection and voltage of the GaInAsP subcell are unchanged from single junction devices. While further materials development and radiation testing is still required, these preliminary results indicate that lattice-mismatched GaInAsP can be effectively used in multijunction solar cells to replace radiation-soft materials.

14 SOLAR ENERGY↗

Exploring composition mixing in kilonova ejecta with ray-by-ray simulations

Binary neutron star merger (BNSM) ejecta are considered a primary repository of r-process nucleosynthesis and a source of the observed heavy-element abundances. We implement composition mixing into ray-by-ray radiation-hydrodynamic simulations of BNSM ejecta, coupled with an online nuclear network (NN). We model mixing via a gradient-based mixing approximation that evolves simultaneously with the hydrodynamics. Here, we find that mixing occurs in regions where the electron fraction changes rapidly. While mixing smooths composition gradients in transition regions, it has a negligible impact on the heavy-element yields. This is because the primary r-process site (the equatorial ejecta) is initially homogeneous in free neutrons, leaving no strong gradients for mixing to act upon. In each angular ray, the abundances of the most produced elements are robust under mixing, while the less abundant ones are more affected. The total global abundances change only slightly from mixing, since each angular ray contributes its most abundant elements. Furthermore, the predicted kilonova light curves show only minor reddening, with differences below the detectability of state-of-the-art telescopes. In general, we do not observe significant effects from mixing in the time span of the r-process. Consequently, mixing only leads to minor variations in abundances and light curves in ray-by-ray simulations.

Explosive burning↗

Metal ion dopant-induced famatinite to chalcostibite phase transformation of copper antimony sulphide colloidal nanostructures: effect on photophysical and pseudocapacitance properties

Here, the strategic doping of transition metal ions into copper antimony sulphide (CAS) semiconducting nanostructures can significantly influence their photophysical and pseudocapacitive properties, for which there are few reports and therefore is the focus of this study. Accordingly, highly crystalline metal ion (Mn 2+ , Fe 2+ , Co 2+ , Ni 2+ and Zn 2+ ) doped off-stoichiometric copper rich/poor, antimony-rich/poor, and sulphur-poor CAS nanostructures (10–23 nm) were grown via colloidal (hot-injection) synthesis using metal diethyldithiocarbamate precursors. Importantly, metal ion doping significantly influences the structure and composition of the off-stoichiometric CAS nanostructures. Data from powder X-ray diffraction, Raman spectroscopy, high-resolution scanning/transmission electron microscopy, and energy dispersive X-ray spectroscopy confirm that the heavier metal ion dopants induce a novel phase transformation from famatinite (fCAS) to chalcostibite (cCAS) nanostructures. The influence of the metal ion dopants is also observed in the optical properties of as-synthesized nanostructures. This involves blue-shifted ultraviolet-visible absorption, reduced Urbach tailing, and tunable bandgaps between 2.17 and 2.38 eV. Also, the doped nanostructures display broad visible-near infrared photoluminescence via a triple radiative pathway with relatively short decay lifetimes between 0.2 and 6.1 ns. This is mediated by electronic transitions involving intrinsic (copper/antimony/sulphur interstitial) and extrinsic (metal ion interstitial) defect states. Additionally, electrodes prepared from Mn 2+ -doped fCAS nanostructures show enhanced pseudocapacitance via Na+ surface adsorption and intercalation relative to undoped fCAS electrodes, while Zn 2+ -doped cCAS electrodes exhibit pseudocapacitance via a combination of Na+ surface adsorption, intercalation, and redox reactions. These electrodes exhibit reduced charge transfer resistance, improved electronic conductivity and notably enhanced specific capacitance (∼222 F g −1 ), and charge transport, as measured in 1 M Na 2 SO 4 electrolyte via cyclic voltammetry and electrochemical impedance spectroscopy. To this end, the discovery of the metal ion-induced phase transformation presents a new avenue for optimizing the functional properties of fCAS and cCAS nanostructures, highlighting the critical role of metal ion-related defects in controlling the optical and electrochemical properties, towards potential solar absorption and energy storage applications.

25 ENERGY STORAGE↗

The Fermi function and the neutron's lifetime

The traditional Fermi function ansatz for nuclear beta decay describes enhanced perturbative effects in the limit of large nuclear charge Z and/or small electron velocity β. We define and compute the quantum field theory object that replaces this ansatz for neutron beta decay, where neither of these limits hold. We present a new factorization formula that applies in the limit of small electron mass, analyze the components of this formula through two loop order, and resum perturbative corrections that are enhanced by large logarithms. We apply our results to the neutron lifetime, supplying the first two-loop input to the long-distance corrections. Our result can be summarized as τ n x |V ud | 2 [1 + 3λ 2 ] [1 + Δ R ] = $\frac{5263.284(17) s}{1 + 27.04(7) x 10^{-3}}$ with |V ud | the up-down quark mixing parameter, τ n the neutron's lifetime, λ the ratio of axial to vector charge, and Δ R the short-distance matching correction. We find a shift in the long-distance radiative corrections compared to previous work, and discuss implications for extractions of |V ud | and tests of the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Structural basis of transcription: RNA polymerase II substrate binding and metal coordination using a free-electron laser

Catalysis and translocation of multisubunit DNA-directed RNA polymerases underlie all cellular mRNA synthesis. RNA polymerase II (Pol II) synthesizes eukaryotic pre-mRNAs from a DNA template strand buried in its active site. Structural details of catalysis at near-atomic resolution and precise arrangement of key active site components have been elusive. Here, we present the free-electron laser (FEL) structures of a matched ATP-bound Pol II and the hyperactive Rpb1 T834P bridge helix (BH) mutant at the highest resolution to date. The radiation-damage-free FEL structures reveal the full active site interaction network, including the trigger loop (TL) in the closed conformation, bonafide occupancy of both site A and B Mg 2+ , and, more importantly, a putative third (site C) Mg 2+ analogous to that described for some DNA polymerases but not observed previously for cellular RNA polymerases. Molecular dynamics (MD) simulations of the structures indicate that the third Mg 2+ is coordinated and stabilized at its observed position. TL residues provide half of the substrate binding pocket while multiple TL/BH interactions induce conformational changes that could allow translocation upon substrate hydrolysis. Consistent with TL/BH communication, a FEL structure and MD simulations of the T834P mutant reveal rearrangement of some active site interactions supporting potential plasticity in active site function and long-distance effects on both the width of the central channel and TL conformation, likely underlying its increased elongation rate at the expense of fidelity.

Science & Technology - Other Topics↗

A Measurement of the Eta Meson Radiative Decay Width via the Primakoff Effect

The ? meson is an interesting tool to study fundamental symmetries in Quantum Chromodynamics (QCD). In particular, its radiative decay width, ? p? Ñ ??q, is an important quantity that can be predicted in the framework of Chiral Perturbation Theory. A precision measurement of this quantity would provide critical inputs to understanding the mixing of the ? and ?1 mesons and extracting constants with wide-ranging applications in low-energy QCD. This decay width has been measured in the past using two different experimental techniques. The more popular technique utilized e`e´ collisions to produce ? mesons through electromagnetic interactions. Today, the Particle Data Group (PDG) averages the results of five such experiments to obtain their currently-accepted value of the decay width as: 0.515?0.018 keV. However the first measurement of this quantity was obtained from a fixed-target experiment that measured the cross section for photoproduction of ? mesons on a nuclear target via the Primakoff effect. Their result of 0.324?0.046 keV shows strong tension with the average of the collider measurements, motivating a new, high precision measurement using the Primakoff method. For this purpose, the PrimEx-eta experiment was conducted in Hall D of the Thomas Jefferson National Accelerator Facility (Jefferson Lab or JLab). The data is currently being analyzed to measure the differential cross section for the photoproduction of ? mesons on a liquid, 4He target. Preliminary results obtained from the analysis of the first phase of the PrimEx-eta experiment show reasonable agreement with the currently-accepted PDG value of the radiative decay width. However, as will be discussed, there are many challenges to this precision measurement which must be studied before any results can be finalized and compared with previous measurements. In parallel to the ? decay width measurement, the PrimEx-eta experiment measured the total cross section for the fundamental, Quantum Electrodynamics (QED) process of Compton scattering from the atomic electrons inside the target. The results obtained from this measurement are in strong agreement with the next-to-leading order QED calculations, and the total combined uncertainties are below 3% for incident photon energies between 7-10 GeV. In addition to providing the first precision measurement of the total Compton scattering cross section within this beam energy range, this measurement verifies the capability of the PrimEx-eta experimental setup to perform absolute cross section measurements at forward angles, and serves as a reference process for the calibration of systematic uncertainties.

Smith, Andrew↗

Nuclear two point correlation functions on a quantum computer

The calculation of dynamic response functions is expected to be an early application benefiting from rapidly developing quantum hardware resources. The ability to calculate real-time quantities of strongly correlated quantum systems is one of the most exciting applications that can easily reach beyond the capabilities of traditional classical hardware. Response functions of fermionic systems at moderate momenta and energies corresponding roughly to the Fermi energy of the system are a potential early application because the relevant operators are nearly local, and the energies can be resolved in moderately short real time, reducing the spatial resolution and gate depth required. This is particularly the case in quasielastic electron and neutrino scattering from nuclei, a topic of great interest in the nuclear and particle physics communities and directly related to experiments designed to probe neutrino properties. In this paper we use current quantum hardware and error mitigation protocols to calculate response functions for a highly simplified nuclear model through calculations of a 2-point real time correlation function for a modified Fermi-Hubbard model in two dimensions with three distinguishable nucleons on four lattice sites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls $d$ and $f$

Far-red light (FRL) photoacclimation (FaRLiP) in cyanobacteria provides a selective growth advantage for some terrestrial cyanobacteria by expanding the range of photosynthetically active radiation to include far-red/near-infrared light (700 to 800 nm). During this photoacclimation process, photosystem II (PSII), the water:plastoquinone photooxidoreductase involved in oxygenic photosynthesis, is modified. The resulting FRL-PSII is comprised of FRL-specific core subunits and binds chlorophyll (Chl) d and Chl f molecules in place of several of the Chl a molecules found when cells are grown in visible light. These new Chls effectively lower the energy canonically thought to define the “red limit” for light required to drive photochemical catalysis of water oxidation. Changes to the architecture of FRL-PSII were previously unknown, and the positions of Chl d and Chl f molecules had only been proposed from indirect evidence. Here, we describe the 2.25-Å resolution cryo-EM structure of a monomeric FRL-PSII core complex from Synechococcus sp. PCC 7335 cells that were acclimated to FRL. We identify one Chl d molecule in the Chl D1 position of the electron transfer chain, and four Chl f molecules in the core antenna. We also make observations that enhance our understanding of PSII biogenesis, especially on the acceptor side of the complex where a bicarbonate molecule is replaced by a glutamate sidechain in the absence of the assembly factor Psb28. In conclusion, these results provide a structural basis for the lower energy limit required to drive water oxidation, which is the gateway for most solar energy utilization on Earth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

$κ$monty: a Monte Carlo Compton scattering code including non-thermal electrons

Low-luminosity active galactic nuclei are strong sources of X-ray emission produced by Compton scattering originating from the accretion flows surrounding their supermassive black holes. The shape and energy of the resulting spectrum depend on the shape of the underlying electron distribution function (DF). In this work, we present an extended version of the GRMONTY code, called ΚMONTY. The GRMONTY code previously only included a thermal Maxwell–Jütner electron DF. We extend the GRMONTY code with non-thermal electron DFs, namely the κ and power-law DFs, implement Cartesian Kerr–Schild coordinates, accelerate the code with MPI, and couple the code to the non-uniform adaptive mesh refinement grid data from the general relativistic magnetohydrodynamics code BHAC. For the Compton scattering process, we derive two sampling kernels for both DFs. Finally, we present a series of code tests to verify the accuracy of our schemes. The implementation of non-thermal DFs opens the possibility of studying the effect of non-thermal emission on previously developed black hole accretion models.

79 ASTRONOMY AND ASTROPHYSICS↗

Nuclear-level effective theory of 𝜇 → 𝑒 conversion: Inelastic process

Mu2e and COMET will search for electrons produced via the neutrinoless conversion of stopped muons bound in 1s atomic orbits of 27 Al, improving existing limits on charged lepton flavor violation (CLFV) by roughly four orders of magnitude. Conventionally, 𝜇 → 𝑒 conversion experiments are optimized to detect electrons originating from transitions where the nucleus remains in the ground state, thereby maximizing the energy of the outgoing electron. Clearly, detection of a positive signal in forthcoming experiments would stimulate additional work—including subsequent conversion experiments using complementary nuclear targets—to further constrain the new physics responsible for CLFV. Here we argue that additional information can be extracted without the need for additional experiments, by considering inelastic conversion in 27 Al. Transitions to low-lying nuclear excited states can modify the near-endpoint spectrum of conversion electrons, with the ratio of the elastic and inelastic responses being sensitive to the underlying CLFV operator. We extend the nuclear effective theory of 𝜇 → 𝑒 conversion to the inelastic case, which adds five new response functions to the six that arise for the elastic process. We evaluate these nuclear response functions in 27 Al and calculate the resulting conversion-electron signal, taking into account the resolution anticipated in Mu2e/COMET. We find that 27 Al is an excellent target choice from the perspective of the new information that can be obtained from inelastic 𝜇 → 𝑒 conversion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Light-tight Skipper-CCDs for X-Ray Detection in Space

Skipper Charge-Coupled Devices (skipper-CCDs) are pixelated silicon detectors with deep sub-electron resolution. Their radiation hardness and capability to reconstruct energy deposits with unprecedented precision make them a promising technology for space-based X-ray astronomy. In this scenario, optical and near-infrared photons may saturate the sensor, distorting the reconstructed signal. We present a light-tight shield for skipper-CCDs to suppress optical backgrounds while preserving X-ray detection efficiency. We deposited thin aluminum layers on the CCD surface using an e-beam evaporator and evaluated their blinding performance across wavelengths from 650 to 1000 nm using a monochromator, as well as the X-ray transmission using an 55 Fe source. We find that 50 and 100 nm layers provide >99.6% light suppression, with no efficiency loss for 5.9 and 6.4 keV X-rays. In addition, we used Geant4 simulations to extend these results to a broader energy range and quantify the efficiency loss for different aluminum thicknesses. Results show that thin aluminum coatings are an effective, low-cost solution for optical suppression in skipper-CCDs intended for X-ray detection and space instrumentation.

79 ASTRONOMY AND ASTROPHYSICS↗

Impact of Next-to-Leading-Order Weak Standard-Model-Effective-Field-Theory Corrections in e + e − → Z H

We present results from a complete next-to-leading order (NLO) calculation of e + e − → Z H in the standard model effective field theory (SMEFT) framework, including all contributions from dimension-six operators. At NLO, there are novel dependencies on CP violating parameters in the gauge sector, on modifications to the Higgs boson self-couplings, on alterations to the top quark Yukawa couplings, and on four-fermion operators involving the electron and the top quark, among others. We show that including only the logarithms resulting from renormalization group scaling can produce misleading results, and further, we explicitly demonstrate the constraining power of combining measurements from different energy scales. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nuclear Excitation and Fission Studies with Short Pulsed Laser-Driven High Energy Gamma Rays

We propose the development of a platform to study photon excitation of high Z nuclei utilizing a high energy (70 J) short pulsed (500 fs) laser to drive > 5 MeV γ-radiation. The laser beam will be focused onto a specially prepared foam or corrugated conveying target, where it generates relativistic MeV electrons via ponderomotive and wake-field acceleration mechanisms. γ-emission is produced in the form of bremsstrahlung in the same target or in a separated high-Z γ-production target hit by the accelerated MeV electrons. The high energy γ-rays will be utilized to provide nuclear state excitation in the short time domain. The γ platform will allow to investigate photo fission of high Z target material positioned in an auxiliary target chamber in the γ-ray beam path via the established gas transport scheme. The photo fission yield will provide furthermore diagnostic information on the produced γ-yield. In addition, γ-spectroscopy will be used to identify γ-lines for the diagnostic of the excited state population of high Z target nuclei. This research capability is relevant to the understanding of how nuclear excitation effects fission, in relevance to recent astrophysical observations on element nucleosynthesis. These processes involve neutron-rich fragments and processes such as fission recycling (e. g. in neutron stars outer crusts).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Summary Report on Ion Irradiation Study of Ceramic Coating on Suppressing FCCI

Advanced cladding is critical for advanced nuclear reactors with an enhanced performance in radiation tolerance and neutron transparency. Using advanced cladding will ensure the adequate thermal conductivity and mechanical stability of the cladding base material, corrosion resistance, high-temperature coolant compatibility of the cladding surface, and chemical stability in the cladding inner wall against fuel cladding chemical interaction (FCCI). An innovative cladding with a three-layer structure (i.e., a modified surface, a clad base material, and a modified inner wall) promises to meet all these requirements. Initial research and development (R&D) regarding this innovative cladding seek to demonstrate the effectiveness of a thin ceramic coating in suppressing FCCI under ion irradiation to high dose. This United States (U.S.) Department of Energy (DOE)–Office of Nuclear Energy (NE) project report summarizes the results of recent ion irradiation studies of diffusion-couple samples with details of an ion irradiation experiment, the characterization of the interface microstructure of cerium (Ce)/titanium nitride (TiN)/oxide-dispersion strengthened (ODS), Ce/TiN/iron (Fe), Ce/ODS, and Ce/Fe samples irradiated with 80 million electron-volts (MeV) of xenon (Xe) ions to 100 displacements per atom (dpa) at 500?C using the Argonne Tandem Linac Accelerator System (ATLAS) facility at Argonne National Laboratory (ANL). The results of the ODS-substrate sample are encouraging and demonstrate the effectiveness of a thin ceramic coating on FCCI mitigation under irradiation. The results from an Fe-substrate sample revealed a complex microstructure, and the root cause is discussed.

36 MATERIALS SCIENCE↗

Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads

Strong excitonic coupling in photosynthetic systems is believed to enable efficient light absorption and quantitative charge separation, motivating the development of artificial multi-chromophore arrays with equally strong or even stronger excitonic coupling. However, large excitonic coupling strengths have typically been accompanied by fast non-radiative recombination, limiting the potential of the arrays for solar energy conversion as well as other applications such as fluorescent labeling. Here, in this work, we report giant excitonic coupling leading to broad optical absorption in bioinspired BODIPY dyads that have high photostability, excited-state lifetimes at the nanosecond scale, and fluorescence quantum yields of nearly 50%. Through the synthesis, spectroscopic characterization, and computational modeling of a series of dyads with different linking moieties, we show that the strongest coupling is obtained with diethynylmaleimide linkers, for which the coupling occurs through space between BODIPY units with small separations and slipped co-facial orientations. Other linkers allow for broad tuning of both the relative through-bond and through-space coupling contributions and the overall strength of interpigment coupling, with a tradeoff observed in general between the strength of the two coupling mechanisms. These findings open the door to the synthesis of molecular systems that function effectively as light-harvesting antennas and as electron donors or acceptors for solar energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gallium oxide (Ga2O3) as a radiation detector distinguishing neutrons and gammas

Gallium oxide (Ga2O3) is a promising ultrawide bandgap semiconductor for radiation detection with the potential of integrating electronic and scintillation functions within a single crystal device. This study establishes the scintillation response of β-Ga2O3 gamma irradiation from yttrium-88 (88Y). Then, californium-252 (252Cf) is used as a spontaneous fission source of mixed neutron and gamma radiation field to measure scintillation signals. Pulse shape discrimination and constant fraction discrimination techniques were used to separate neutron and gamma interaction events. Further investigation indicates that the prompt temporal responses of β-Ga2O3 for gammas and neutrons may enable discrimination of the two by prompt pulse fitting methods, focused around the initial peak. For gamma irradiation, we observed a rise time (τr) of 2.1 ns, decay time (τd) of 9.5 ns, and a full width at half maximum (FWHM) of 6.2 ns. For neutrons, it showed a τr of 2.3 ns, a τd of 12.1 ns, 9.4 ns FWHM, and reduced peak intensity. A diamond detector exhibited a more symmetrical τr and τd for both gamma and neutron signals and therefore is less effective at discriminating between the two by this method. This draws attention to β-Ga2O3’s ability to distinguish neutron and gamma particles. These findings showcase Ga2O3’s potential as a next-generation semiconductor for applications in nuclear safety and medical imaging, where precise discrimination between neutron and gamma interactions is essential.

Valdes, D. J. (ORCID:0000000304373720)↗

Helium Bubbles and Blistering in a Nanolayered Metal/Hydride Composite

Helium is insoluble in most metals and precipitates out to form nanoscale bubbles when the concentration is greater than 1 at.%, which can alter the material properties. Introducing controlled defects such as multilayer interfaces may offer some level of helium bubble management. This study investigates the effects of multilayered composites on helium behavior in ion-implanted, multilayered ErD 2 /Mo thin film composites. Following in-situ and ex-situ helium implantation, scanning and transmission electron microscopy showed the development of spherical helium bubbles within the matrix, but primarily at the layer interfaces. Bubble linkage and surface blistering is observed after high fluence ex-situ helium implantation. These results show the ability of metallic multilayers to alter helium bubble distributions even in the presence of a hydride layer, increasing the lifetime of materials in helium environments.

36 MATERIALS SCIENCE↗

Effect of solution concentration on ethylene propylene diene monomer (EPDM) nonmetallic components used in caustic liquid waste transfer lines

The hose-in-hose transfer lines (HIHTL) used to transfer waste at the United States Department of Energy’s Hanford Site Tank Farm are fabricated from an ethylene propylene diene monomer (EPDM) synthetic rubber. During waste transport, these hoses are exposed to several stressors including caustic solutions at high temperatures and high pressures, as well as β and γ radiation. The aging behavior of HIHTL and dog-bone shaped EPDM specimens were evaluated by exposure to solutions at 77 °C containing 0.00, 6.25, 12.50, and 25.00 % (v/v) sodium hydroxide (NaOH) for 12-months. After the exposure, the material properties of the specimens were measured and compared to the unaged samples. The material properties evaluated included the tensile strength of the EPDM dog-bone samples and the burst pressure of the HIHTL. Both the tensile strength of the EPDM dog-bone samples and the burst pressure of the HIHTL specimens exposed to the 6.25 % NaOH solution exhibited the most significant deterioration and those exposed to 25.00 % NaOH solution had the least deterioration. Finally, examination of the HIHTL and the EPDM dog-bone specimens with scanning electron microscopy showed that the deterioration for the specimens exposed to 6.25 % NaOH solution were the most severe and the samples exposed to 25.00 % NaOH solution had the least deterioration.

42 ENGINEERING↗