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At least 433 records · Page 24

KATRIN background due to surface radioimpurities

The goal of the KArlsruhe TRItrium Neutrino (KATRIN) experiment is the determination of the effective electron antineutrino mass with a sensitivity of 0.2 eV/c 2 at 90 % C.L. 1 . This goal can only be achieved with a very low background level in the order of 10 mcps 2 in the detector region of interest. A possible background source are α-decays on the inner surface of the KATRIN Main Spectrometer. Rydberg atoms, produced in sputtering processes accompanying the α-decays, are not influenced by electric or magnetic fields and freely propagate inside the vacuum of the Main Spectrometer. Here, they can be ionized by thermal radiation and the released electrons directly contribute to the KATRIN background. Two α-sources, 223 Ra and 228 Th, were installed at the Main Spectrometer with the purpose of temporarily increasing the background in order to study α-decay induced background processes. In this paper, we present a possible background generation mechanism and measurements performed with these two radioactive sources. Our results show a clear correlation between α-activity on the inner spectrometer surface and background from the volume of the spectrometer. Two key characteristics of the Main Spectrometer background – the dependency on the inner electrode offset potential, and the radial distribution – could be reproduced with this artificially induced background. These findings indicate a high contribution of α-decay induced events to the residual KATRIN background.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impact of high-dose gamma-ray irradiation on electrical characteristics of N-polar and Ga-polar GaN p–n diodes

We investigate the impact of high-dose gamma-ray irradiation on the electrical performance of Ga-polar and N-polar GaN-based p-n diodes grown by metalorganic chemical vapor deposition. We compare the current density-voltage (J-V), capacitance-voltage (C-V), and circular transfer length method (CTLM) characteristics of the p-n diodes fabricated on Ga-polar and N-polar orientations before and after irradiation. The relative turn-on voltage increases for the Ga-polar diodes with increasing irradiation dose, while it increases initially and then starts to decrease for the N-polar diodes. The p-contact total resistance increases for Ga-polar and decreases for N-polar samples, which we attribute to the formation of point defects and additional Mg activation after irradiation. The J-V characteristics of most of the tested diodes recovered over time, suggesting the changes in the J-V characteristics are temporary and potentially due to metastable occupancy of traps after irradiation. X-ray photoelectron spectroscopy (XPS) and photoluminescence (PL) measurements reveal the existence of different types of initial defects and surface electronic states on Ga-polar and N-polar samples. Gallium vacancies (V Ga ) are dominant defects in Ga-polar samples, while nitrogen vacancies (V N ) are dominant in N-polar samples. The presence of a higher concentration of surface states on Ga-polar surfaces compared to N-polar was confirmed by calculating the band bending and the corresponding screening effect due to opposite polarization bound charge and ionized acceptors at the surface. The difference in surface stoichiometry in these two orientations is responsible for the different behavior in electrical characteristics after gamma-ray interactions.

36 MATERIALS SCIENCE↗

Resonant scattering at the center of the galaxy cluster PKS 0745-191 with XRISM

We report evidence of the resonant scattering effect at the center of the galaxy cluster PKS 0745-191 with XRISM. We analyzed XRISM/Resolve commissioning-phase observations of the distant cluster PKS 0745-191 ($z = 0.103$) with a $54$ ks exposure. The gain drift was corrected using the onboard modulated X-ray source (MXS), and spectra were extracted from all the pixels that were well illuminated by MXS, the core region (four central pixels, $\sim$100 kpc), and the surrounding region. A single-temperature collisional ionization equilibrium (CIE) model fits the full field-of-view spectrum with $kT \approx 6$ keV and a turbulent velocity of ${\approx}120$ km s$^{-1}$. From the core ($r < 50$ kpc) spectrum, we detected a ${\approx}22\%$ suppression of the Fe xxv He$\alpha$ resonance (w) line relative to the CIE prediction. We performed a Monte Carlo simulation to calculate the resonant scattering (RS) effect using radial profiles from Chandra data. The RS-inferred turbulence agrees with that by Resolve line-broadening, demonstrating that RS provides an independent and consistent constraint on ICM turbulence. These results highlight XRISM/Resolve’s potential for turbulence studies in galaxy clusters.

Astronomy and AstroPhysics↗

Emerging Role of Exosomal Long Non-coding RNAs in Spaceflight-Associated Risks in Astronauts

During spaceflight, astronauts are exposed to multiple unique environmental factors, particularly microgravity and ionizing radiation, that can cause a range of harmful health consequences. Over the past decades, increasing evidence demonstrates that the space environment can induce changes in gene expression and RNA processing. Long non-coding RNA (lncRNA) represent an emerging area of focus in molecular biology as they modulate chromatin structure and function, the transcription of neighboring genes, and affect RNA splicing, stability, and translation. They have been implicated in cancer development and associated with diverse cardiovascular conditions and associated risk factors. However, their role on astronauts’ health after spaceflight remains poorly understood. In this perspective article, we provide new insights into the potential role of exosomal lncRNA after spaceflight. We analyzed the transcriptional profile of exosomes isolated from peripheral blood plasma of three astronauts who flew on various Shuttle missions between 1998–2001 by RNA-sequencing. Computational analysis of the transcriptome of these exosomes identified 27 differentially expressed lncRNAs with a Log 2 fold change, with molecular, cellular, and clinical implications.

59 BASIC BIOLOGICAL SCIENCES↗

Thorium Monosilicide, ThSi: An Experimental and Theoretical Study

The present theoretical and experimental combination study investigates the ThSi molecule in detail. Computationally, we utilized high-level multireference and coupled-cluster levels of theory conjoined with large correlation consistent basis sets to study a series of electronic and spin–orbit states of ThSi. Here, we report potential energy curves (PECs), electron configurations at equilibrium distances, spectroscopic constants, energetics, and spin–orbit coupling effects for 16 electronic states of ThSi. The studied 16 electronic states are arranged tightly within 0.9 eV, highlighting the complexity of the electronic spectrum of ThSi. The ground electronic state of ThSi is a single-reference 1 1 Σ + state that derives from the 1σ 2 2σ 2 1π 4 electronic configuration. The Ω = 0 + spin–orbit ground state of ThSi is composed of 1 1 Σ + (47%) and 13Π (44%) electronic states. Our measured bond energy (D0) of ThSi, obtained using resonant two-photon ionization (R2PI) spectroscopy is 3.146(4) eV, where the assigned error limit is given in parentheses in units of the last quoted digits. The computed D0 of ThSi (Ω = 0 + ) at the CBS-C-CCSD(T)-δT(Q)-δDK-δSO level (3.181 eV) is in good agreement with the experimental value. Our derived enthalpy of formation for ThSi, Δ f H 0K o (ThSi(g)), is 971.8(6.0) kJ/mol. Finally, we have performed density functional theory (DFT) calculations for ThSi(1 1 Σ + ) using 16 exchange correlation functionals that span multiple rungs of “Jacob’s ladder” of density functional approximation (DFA) to assess the DFT errors on D 0 , r e , and ω e of ThSi with respect to experimental and ab initio coupled-cluster values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Valence shell photoelectron angular distributions and vibrationally resolved spectra of imidazole: A combined experimental–theoretical study

Linearly polarized synchrotron radiation has been used to record polarization dependent valence shell photoelectron spectra of imidazole in the photon energy range 21–100 eV. These have allowed the photoelectron angular distributions, as characterized by the anisotropy parameter β, and the electronic state intensity branching ratios to be determined. Complementing these experimental data, theoretical photoionization partial cross sections and β-parameters have been calculated for the outer valence shell orbitals. The assignment of the structure appearing in the experimental photoelectron spectra has been guided by vertical ionization energies and spectral intensities calculated by various theoretical methods that incorporate electron correlation and orbital relaxation. Strong orbital relaxation effects have been found for the 15a', nitrogen lone-pair orbital. The calculations also predict that configuration mixing leads to the formation of several low-lying satellite states. The vibrational structure associated with ionization out of a particular orbital has been simulated within the Franck–Condon model using harmonic vibrational modes. The adiabatic approximation appears to be valid for the X 2A" state, with the β-parameter for this state being independent of the level of vibrational excitation. However, for all the other outer valence ionic states, a disparity occurs between the observed and the simulated vibrational structure, and the measured β-parameters are at variance with the behavior expected at the level of the Franck–Condon approximation. Furthermore, these inconsistencies suggest that the excited electronic states may be interacting vibronically such that the nuclear dynamics occur over coupled potential energy surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring charge transport dynamics in a cryogenic P-type germanium detector

Abstract This study explores the dynamics of charge transport within a cryogenic P-type Ge particle detector, fabricated from a crystal cultivated at the University of South Dakota. By subjecting the detector to cryogenic temperatures and an Am-241 source, we observe evolving charge dynamics and the emergence of cluster dipole states, leading to the impact ionization process at 40 mK. Our analysis focuses on crucial parameters: the zero-field cross-section of cluster dipole states and the binding energy of these states. For the Ge detector in our investigation, the zero-field cross-section of cluster dipole states is determined to be 8.45 × 10 −11 ± 4.22 × 10 −12 cm 2 . Examination of the binding energy associated with cluster dipole states, formed by charge trapping onto dipole states during the freeze-out process, reveals a value of 0.034 ± 0.0017 meV. These findings shed light on the intricate charge states influenced by the interplay of temperature and electric field, with potential implications for the sensitivity in detecting low-mass dark matter.

Physics↗

Protein Vesicles with pH-Responsive Disassembly

We report protein biomaterials offer several advantages over those made from other components because their amino acid sequence can be precisely controlled with genetic engineering to produce a diverse set of material building blocks. In this work, three different elastin-like polypeptide (ELP) sequences were designed to synthesize pH-responsive protein vesicles. ELPs undergo a thermally induced hydrophobic transition that enables self-assembly of different kinds of protein biomaterials. The transition can be tuned by the composition of the guest residue, X, within the ELP pentapeptide repeat unit, VPGXG. When the guest residue is substituted with an ionizable amino acid, such as histidine, the ELP undergoes a pH-dependent hydrophobic phase transition. We used pH-responsive ELPs with different levels of histidine substitution, in combination with leucine zippers and globular, functional proteins, to fabricate protein vesicles. We demonstrate pH-dependent self-assembly, diameter, and disassembly of the vesicles using a combination of turbidimetry, dynamic light scattering, microscopy, and small angle X-ray scattering. As the ELP transition is dependent on the sequence, the vesicle properties also depend on the histidine content in the ELP building blocks. These results demonstrate the tunability of protein vesicles endowed with pH responsiveness, which expands their potential in drug-delivery applications.

59 BASIC BIOLOGICAL SCIENCES↗

Inertial and anisotropic pressure effects on cross-field electron transport in low-temperature magnetized plasmas

In this paper, a one-dimensional (1D) particle-in-cell Monte Carlo collision (PIC-MCC) model is developed to investigate the effects of anisotropic pressure and inertial terms due to non-Maxwellian velocity distribution functions on cross-field electron transport. The conservation of momentum is evaluated by taking the moments of the first-principles gas-kinetic equation. A steady-state discharge is obtained without any low-frequency ionization oscillations by considering an anomalous electron scattering profile. Further, the results obtained from the 1D PIC-MCC model are compared with fluid models, including the quasi-neutral drift-diffusion (DD), non-neutral DD, and full fluid moment models. The discharge current obtained from the PIC-MCC model is in good agreement with the fluid models. The cross-field electron transport due to the inertial terms, i.e. the gradient of axial and azimuthal drift, is evaluated. Moreover, PIC-MCC simulation results show non-zero, anisotropic, off-diagonal pressure tensor terms due to asymmetric non-Maxwellian electron velocity distribution function, potentially contributing to cross-field electron transport.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Resonant propagation of x rays from the linear to the nonlinear regime

We present a theoretical study of temporal, spectral, and spatial reshaping of intense, ultrafast x-ray pulses propagating through a resonant medium. Our calculations are based on the solution of a three-dimensional time-dependent Schrodinger-Maxwell equation, with the incident x-ray photon energy on resonance with the core-level is-3p transition in neon. We study the evolution of the combined incident and medium-generated field, including the effects of stimulated emission, absorption, ionization, and Auger decay, as a function of the input pulse energy and duration. We find that stimulated Raman scattering between core-excited states 1s -1 3p and 2p -1 3p occurs at high x-ray intensity, and that the emission around this frequency is strongly enhanced when also including the similar 1s -1 -2p -1 response of the ion. We also explore the dependence of x-ray self-induced transparency (SIT) and self-focusing on the pulse intensity and duration, and we find that the stimulated Raman scattering plays an important role in both effects. Finally, we discuss how these nonlinear effects may potentially be exploited as control parameters for pulse properties of x-ray free-electron laser sources.

74 ATOMIC AND MOLECULAR PHYSICS↗

Interfacing Atmospheric Flow Tube to Ion Mobility Spectrometry: FY 2021 Final Report

An atmospheric flow tube (AFT) provides extended ion-molecule reaction times of 2-3 seconds compared to milliseconds in typical mass spectrometers. This results in several orders of magnitude enhanced sensitivity allowing for vapor detection at the parts-per-quadrillion levels when an AFT is coupled to a mass spectrometer (MS). The goal of this project was to demonstrate the feasibility of integrating an AFT ionization source to a more portable ion mobility spectrometer (IMS). This project was successful in integrating AFT to IMS, as shown in Figure ES.1. The PNNL team demonstrated measurable ion signal from an AFT-IMS with a Faraday plate detector. Reasonable ion signals were detectable at low flow rates approaching 1 m/s. This is close to the flow rates used with the AFT-MS, which has demonstrated parts-per-quadrillion vapor detection. Vapor detection enables non-contact detection of a variety of illicit substances for various applications including cargo screening, mail sorting facilities, and checkpoints. With further improvements to enhance detection, AFT-IMS has the potential to allow ultra-trace vapor detection in a more portable device.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SDSS IV MaNGA: characteristics of edge-on galaxies with a counter-rotating gaseous disc

ABSTRACT Counter-rotating components in galaxies are one of the most direct forms of evidence for past gas accretion or merging. We discovered 10 edge-on disc gaseous counter-rotators in a sample of 523 edge-on galaxies identified in the final MaNGA (Mapping Nearby Galaxies at APO) IFU sample. The counter-rotators tend to located in small groups. The gaseous counter-rotators have intermediate stellar masses and and located in the green valley and red sequence of the colour–magnitude diagram. The average vertical extents of the stellar and ionized gas discs are the same as for the rest of the sample while their radial gas and stellar distributions are more centrally concentrated. This may point at angular momentum loss during the formation process of the counter-rotating discs. The counter-rotators have low gas and dust content, weak emission-line strengths, and low star formation rates. This suggests that the formation of counter-rotators may be an efficient way to quench galaxies. One counter-rotator, SDSS J080016.09+292817.1 (Galaxy F), has a post-starburst region and a possible AGN at the centre. Another counter-rotator, SDSS J131234.03+482159.8 (Galaxy H), is identified as a potential ongoing galaxy interaction with its companion satellite galaxy, a gas-rich spiral galaxy. This may be representative case of a gaseous counter-rotator forming through a merger origin. However, tidal distortions expected in mergers are only found in a few of the galaxies and we cannot rule out direct gas accretion as another formation mechanism.

Beom, Minje↗

Feasibility of raised inner strike point equilibria scenario in ITER for detritiation from beryllium co-deposits

Abstract In ITER, tritium retention primarily occurs through co-deposition with beryllium. To avoid exceeding the strict tritium inventory limit, efficient tritium recovery techniques are essential. Baking is the ITER baseline for tritium recovery, but its effectiveness in removing tritium from thick beryllium layers is limited. A raised strike point scenario is considered an alternative method for removing tritium from the ITER inner vertical divertor target by heating components via plasma flux. This paper presents SOLPS-ITER code simulations conducted under various conditions, assessing the divertor performance and tritium outgassing of the raised strike point scenario. As the strike point is raised, recycled neutrals are not efficiently baffled by the dome and scrape-off layer, significantly changing the neutral trajectory and ionization source distribution. This improves detachment accessibility but worsens core-edge compatibility compared to the baseline scenario. However, in the partially detached condition, the impact of raising the strike point, perpendicular transport, and q 95 on target heat flux is not significant, as it primarily scales with the input power. Target heat flux is translated to target surface temperature using a simplified heat transfer model that considers the 3D target monoblock geometry and active cooling condition, excluding Be layer thermal properties. For partially detached divertor conditions, the bulk tungsten monoblock surface temperature remains below the baking temperature, which is insufficient for efficient tritium outgassing under the actively cooled ITER divertor condition. However, considering the potential thermal contact resistance between the beryllium and tungsten layers, which may significantly impact temperature distribution, the temperature of the beryllium layer can be raised to a level sufficient for efficient tritium outgassing. Therefore, the raised strike point scenario can be considered as an alternative in-vessel tritium removal technique.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Opacities of singly and doubly ionized neodymium and uranium for kilonova emission modeling

ABSTRACT Even though the electromagnetic counterpart AT2017gfo to the binary neutron star merger GW170817 is powered by the radioactive decay of r-process nuclei, only few tentative identifications of light r-process elements have been made so far. One of the major limitations for the identification of heavy nuclei is incomplete or missing atomic data. While substantial progress has been made on lanthanide atomic data over the last few years, for actinides there has been less emphasis, with the first complete set of opacity data only recently published. We perform atomic structure calculations of neodymium (Z = 60) as well as the corresponding actinide uranium (Z = 92). Using two different codes [flexible atomic code (fac) and hartree–fock-relativistic (hfr)] for the calculation of the atomic data, we investigate the accuracy of the calculated data (energy levels and electric dipole transitions) and their effect on kilonova opacities. For the fac calculations, we optimize the local central potential and the number of included configurations and use a dedicated calibration technique to improve the agreement between theoretical and available experimental atomic energy levels (AELs). For ions with vast amounts of experimental data available, the presented opacities agree quite well with previous estimations. On the other hand, the optimization and calibration method cannot be used for ions with only few available AELs. For these cases, where no experimental nor benchmarked calculations are available, a large spread in the opacities estimated from the atomic data obtained with the various atomic structure codes is observed. We find that the opacity of uranium is almost double the neodymium opacity.

Flörs, A. (ORCID:0000000320242819)↗

Gas-Phase Complexes of Americium and Lanthanides with a Bis-triazinyl Pyridine: Reactivity and Bonding of Archetypes for F-Element Separations

Bis-triazinyl pyridines (BTPs) exhibit solution selectivity for trivalent americium over lanthanides (Ln), the origins of which remain uncertain. Here in this paper, electrospray ionization was used to generate gas-phase complexes [ML 3 ] 3+ , where M = La, Lu, or Am and L is EtBTP 2,6-bis(5,6-diethyl-1,2,4-triazin-3-yl)-pyridine. Collision-induced dissociation (CID) of [ML 3 ] 3+ in the presence of H 2 O yielded a protonated ligand [L(H)] + and hydroxide [ML 2 (OH)] 2+ or hydrate [ML(L–H)(H 2 O)] 2+ , where (L–H) - is a deprotonated ligand. Although solution affinities indicate stronger binding of BTPs toward Am 3+ versus Ln 3+ , the observed CID process is contrastingly more facile for M = Am versus Ln. To understand the disparity, density functional theory was employed to compute potential energy surfaces for two possible CID processes, for M = La and Am. In accordance with the CID results, both the rate determining transition state barrier and the net energy are lower for [AmL 3 ] 3+ versus [LaL 3 ] 3+ and for both product isomers, [ML 2 (OH)] 2+ and [ML(L–H)(H 2 O)] 2+ . More facile removal of a ligand from [AmL 3 ] 3+ by CID does not necessarily contradict stronger Am 3+ –L binding, as inferred from solution behavior. In particular, the formation of new bonds in the products can distort kinetics and thermodynamics expected for simple bond cleavage reactions. In addition to correctly predicting the seemingly anomalous CID behavior, the computational results indicate greater participation of Am 5f versus La 4f orbitals in metal–ligand bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A deep-learning based raw waveform region-of-interest finder for the liquid argon time projection chamber

The liquid argon time projection chamber (LArTPC) detector technology has an excellent capability to measure properties of low-energy neutrinos produced by the sun and supernovae and to look for exotic physics at very low energies. In order to achieve those physics goals, it is crucial to identify and reconstruct signals in the waveforms recorded on each TPC wire. In this work, we report on a novel algorithm based on a one-dimensional convolutional neural network (CNN) to look for the region-of-interest (ROI) in raw waveforms. We test this algorithm using data from the ArgoNeuT experiment in conjunction with an improved noise mitigation procedure and a more realistic data-driven noise model for simulated events. This deep-learning ROI finder shows promising performance in extracting small signals and gives an efficiency approximately twice that of the traditional algorithm in the low energy region of ~0.03–0.1 MeV. This method offers great potential to explore low-energy physics using LArTPCs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

White paper on NIF Discovery Science and frontier regimes of HEDP

Over the past two decades, experimental capabilities at high energy density (HED) facilities such as the National Ignition Facility (NIF), Omega, and Omega EP lasers, and the Z pulsed power facility are able to make precision measurements of fundamental quantities such as equations of state (EOS), material phase, opacities, and ionization levels Z. Flow based quantities are also being studied, such as hydrodynamic instabilities, evolution into turbulence, turbulent dynamo magnetic field amplification, magnetic reconnection; plasma instabilities, plasma wakefield particle acceleration; and relativistic plasma phenomena, such as (e + ,e - ) pair creation. Experimental regimes can be created that reproduce conditions relevant to planetary and exoplanet interiors, stellar interiors, the interiors of brown dwarfs, and the envelope conditions of white dwarf stars. Diagnostic techniques have been developed hand in hand with these new experimental regimes that can be accessed. In this white paper, a brief summary of key experimental achievements from the NIF Discovery Science (basic science) program will be presented; followed by a discussion of current challenges, needs, and potential paths forward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cu-, Co-, and Zn-Based Metal–Organic Framework-Derived Nanoporous Ion Emitters for Picogram Level Analysis of Actinides

Thermal ionization mass spectrometry (TIMS) is often regarded as the preferred technique for trace-level isotopic analysis of actinides owing to its high sensitivity and absence of carry-over effects. However, actinide sample utilization efficiency (SUE) is typically low (<0.05%) without the use of activators or specialized loading approaches which can yield SUEs of >5%. To this effect, we investigate a series of metal–organic framework (MOF)-based nanoporous ion emitters (nano-PIEs) that show enhanced ionization of actinides when used in TIMS loading. We study the impact of physical and chemical properties of MOFs on TIMS SUEs using two families of MOFs that can be synthesized under similar reaction conditions. The structural and chemical properties of these MOFs can be systematically modified one at a time while keeping other features the same. This allows us to strategically investigate their impact on SUEs. The first family of MOFs considered in this study is Zeolitic Imidazole Frameworks (ZIFs) which are made using 2 methyl-imidazole as an organic linker with zinc (ZIF-8) and cobalt (ZIF-67) as metal centers. Additionally, the effect of morphology was also studied using Zn-based ZIF-L with a 2-dimensional structure. The second family of MOFs was synthesized using benzene-1,3,5-tricarboxylate (BTC) with copper (Cu-BTC) and zinc (Zn-BTC) as the metal center. Among the MOFs tested, Cu-BTC showed the highest SUE with an average SUE of 0.27 ± 0.15%, followed closely by Zn-BTC (0.24 ± 0.10%), ZIF-8 (0.17 ± 0.10%), and trailed by the other MOFs. When the MOFs were pyrolyzed in N 2 before loading, an apparent increase in the SUE was observed with ZIF-8 and Cu-BTC showing average SUEs of 0.25 ± 0.08% and 0.34 ± 0.13%, respectively, with the highest measured SUE of 0.53% for pyrolyzed Cu-BTC. In conclusion, this observed increase in SUE by up to an order of magnitude compared to bare filaments demonstrates the efficacy and potential of MOF-derived nano-PIEs for TIMS application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗