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Hybrid analysis of radiative corrections to neutron decay with current algebra and effective field theory
We introduce a useful framework for high-precision studies of the neutron beta decay by merging the current algebra description and the fixed-order effective field theory calculation of the electroweak radiative corrections to the neutron axial form factor. We discuss the advantages of this hybrid method and show that it only requires a minimal amount of lattice QCD inputs to achieve a 10 –4 theory accuracy for the Standard Model prediction of the neutron lifetime and the axial-to-vector coupling ratio λ, both important to the search for physics beyond the Standard Model.
High Flux Isotope Reactor (HFIR)
Oak Ridge National Laboratory’s High Flux Isotope Reactor (HFIR) is the highest-flux reactor-based neutron source in the United States. HFIR’s intense neutron flux and state-of-the-art facilities result in world-class capabilities, including neutron scattering, radioisotope production, materials irradiation, and neutron activation analysis. HFIR’s multimission capabilities are attributed to its versatile high-power-density core design consisting of a series of concentric regions, including a flux trap target region, an inner fuel element, an outer fuel element, a control element region, and a beryllium reflector. The pressurized, light-water-cooled research reactor operates at 85 MW and is fueled by 9.4 kg 235U.
Evolution of dislocation loops in irradiated α-Uranium: An atomistically-informed cluster dynamics investigation
An atomistically-informed mean field cluster dynamics model has been developed to investigate the nucleation and growth of prismatic loops in irradiated a-Uranium. TEM analysis of neutron irradiated a-Uranium shows the evolution of self-interstitial atom and vacancy loops on (010) and (100) crystallographic planes, respectively, resulting in an anisotropic lattice swelling of its face-centered orthorhombic crystal. To provide model parameters, the crystallography of loops and the binding energy of point defects to these loops were studied using an angular dependent EAM potential and classical molecular dynamics (MD) simulations. Furthermore, using the bond-boost hyperdynamics method, the anisotropic diffusion of interstitials and vacancies in a-Uranium was investigated. Here, the mechanisms of point defect diffusion and the associated migration energies were reported and compared with previous DFT studies. The energetics and kinetic quantities mentioned above were used in the cluster dynamics model to predict the cluster density as a function of dose rate, dose and temperature and the results were compared to the reported neutron irradiation experiments. The model predictions reveal an accumulation of small sized vacancy loops along with a population of large and growing self-interstitial loops, which closely corresponds to the TEM observations.
Conceptual design of the LHCD system on CFETR
With the capability of saving flux consumption in the current ramp up phase, controlling the safety factor (q) profile, providing the required off-axis current drive (CD), a lower hybrid current drive (LHCD) system was eventually determined to be used on the China Fusion Engineering Test Reactor (CFETR). Here, in this paper, a 20 MW/4.6 GHz system composed of 40 units of 500 kW continuous wave (CW) klystron amplifier is preliminarily designed. The feasibility of the frequency choice of 4.6 GHz in the physical aspect is discussed. In order to minimize the transmission loss, a TE01 over-mode of circular waveguide will be used in the transmission system. Although previous calculations indicates that high field side (HFS) launcher location results in waves damping at inner region than low field side (LFS) launcher, which is favorable for plasma stability, HFS launcher will be extremely difficult in engineering due to the limited space. Calculations show that the tritium breeding ratio (TBR) will be decreased by ~ 1.5% with HFS launcher, while it will be decreased by ~ 0.22% only with LFS launcher. As a result, the LH power will be coupled to plasma from the top port at LFS. The designed passive active multi-junction (PAM) launcher is arranged in an array of 5 rows and 8 columns with the height of 1181 mm and the width of 794 mm. A shielding block with a thickness of 20 cm will be equipped around the feeding waveguides to protect the feeding waveguides and to prevent neutron leakage. A preliminary scheme of the remote maintenance for the LFS launcher is given. The modeling results shows that the density for optimum coupling is ~ 1.8 × 10 17 /m 3 , lower than the 4.6 GHz cut-off density n e_co = 2.6 × 10 17 /m 3 . Around this density, the power directivity (D p ) can be high as 71%.
Glass-bonded ceramic waste forms for immobilization of radioiodine from caustic scrubber wastes
Glass-bonded sodalite composite waste forms have been developed for the immobilization of liquid radioactive wastes resulting from off-gas treatment during aqueous reprocessing of used nuclear fuel, with a particular focus on 129I. The proposed composite waste form is comprised of aluminosilicate ceramic phases containing volatile radionuclides bonded with a glassy matrix. In this work, a suite of ten candidate low-temperature glass binders (ZnO-Bi2O3-based glasses and a Na2O-B2O3-SiO2 glass) were examined. Six glasses were mixed with caustic scrubber waste simulant previously converted into a sodalite-rich material (to provide glass fractions of 10 and 20 wt.%), uniaxially pressed into pellets, and sintered at 350 °C or 550 °C for 8 h in air. Iodine retention after heat treatment was assessed by neutron activation analysis, showing retention of 67-100 % of expected iodine. The aqueous durabilities of the resulting materials were then determined, following the ASTM C1308 standard test, showing iodine releases of 1 to 23 g m-2 after 4 d. The cumulative iodine release for the best performing system (a zinc-bismuth-borate glass binder) was <1 g m-2, and its iodine retention from processing was 67 %. The iodine releases compared favorably with other waste forms. In parallel, this best-performing composition was also consolidated via hot isostatic pressing (HIP) in a stainless-steel canister at 550 °C for 2 h under 100 MPa pressure. The HIPed sample was produced at the ~20 g scale and showed improved densification and minimal reaction with the canister.
Real-space visualization of short-range antiferromagnetic correlations in a magnetically enhanced thermoelectric
Short-range magnetic correlations can significantly increase the thermopower of magnetic semiconductors, representing a noteworthy development in the decades-long effort to develop high-performance thermoelectric materials. Here, we reveal the nature of the thermopower-enhancing magnetic correlations in the antiferromagnetic semiconductor MnTe. Using magnetic pair distribution function analysis of neutron scattering data, we obtain a detailed, real-space view of robust, nanometer-scale, antiferromagnetic correlations that persist into the paramagnetic phase above the Neel temperature $T_N$ = 307 K. In this work, the magnetic correlation length in the paramagnetic state is significantly longer along the crystallographic c axis than within the ab plane, pointing to anisotropic magnetic interactions. Ab initio calculations of the spin-spin correlations using density functional theory in the disordered local moment approach reproduce this result with quantitative accuracy. These findings constitute the first real-space picture of short-range spin correlations in a magnetically enhanced thermoelectric and inform future efforts to optimize thermoelectric performance by magnetic means.
Room temperature polar and weak-ferromagnetic oxide with low dielectric loss
Single-phase materials that are simultaneously ferroelectric and ferromagnetic at room temperature are promising for devices such as non-volatile random-access memory. Perovskite BiFeO 3 which crystallizes in the polar rhombohedral structure (R3c) is ferroelectric and antiferromagnetic at room temperature. Here, we report a family of perovskite oxides in the BiFeO 3 – Bi 2/3 TiO 3 – ATiO 3 (where A 2+ is divalent alkaline earth metal ions e.g., Ca 2+ , Sr 2+ , Ba 2+ ) ternary phase diagram that is polar as well as weak ferromagnetic above room temperature. The composition (Bi 0.9167 A 0.075 )(Fe 0.9 Ti 0.1 )O 3 crystallizes in the polar rhombohedral structure space group R3c as corroborated by powder X-ray and neutron diffraction analysis. The nearly pure A-site perovskite possesses a long-range magnetic ordering above room temperature. Finally, these perovskites show a low dielectric loss, and the electrical response is dominated by grain contributions below 723 K.
Beta-delayed gamma spectra compilation and analysis following the thermal-neutron induced fission of 235 U, 239,241 Pu
The integral gamma and electron spectra emitted by fission products, also known as delayed gamma and electron spectra, were measured at Oak Ridge National Laboratory in the 1970s for the thermal-neutron induced fission of 235 U and 239,241 Pu. Scintillator detectors were used to measure these spectra, data used later on to obtain decay heat values - that is, the spectra mean values per unit time as function of time - work that was published in the Nuclear Science and Technology journal; the spectral data, however, was only published in laboratory reports. Here, in this work, we analyze the gamma spectra data using modern methods and nuclear databases to reveal the signature of individual fission products as well as to gauge the performance of the ENDF/B-VIII.0 decay data sub-library, concluding about possible future enhancements in predictive capabilities.
Calibration and optimization of Bragg edge analysis in energy-resolved neutron imaging experiments
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First 3D vector tracking of helium recoils for fast neutron measurements at Super$\mathrm{KEKB}$
Here we present results from the first deployment of novel, high definition, compact gas Time Projection Chambers (TPCs) with pixel chip readout as part of the BEAST II beam background measurement project at SuperKEKB. The TPCs provide detailed 3D imaging of ionization from neutron-induced nuclear recoils in a helium and carbon dioxide target gas mixture at standard temperature and pressure. We present the TPC performance and the neutron backgrounds observed during the initial stage of collider commissioning. We find excellent electron background rejection, leading to background-free nuclear recoil measurements above 50 keV ee , despite the extreme high-background environment. We measure an angular resolution better than 20° for recoil tracks longer than 1.7 mm, corresponding to an average ionization energy of approximately 100 keV ee . We also obtain the full 3D vector direction of helium recoils by utilizing charge profile measurements along the recoil axis, with a correct head/tail assignment efficiency of approximately 80%. With this performance, we present comparisons between measured and simulated event rates, recoil energy spectra, and directional distributions originating from beam–gas and Touschek beam losses at SuperKEKB. We utilize head/tail recognition to distinguish neutron components traveling with positive radial velocity in the Belle II coordinate system from those traveling in the opposite direction. Finally, we present a novel method of discriminating beam–gas interactions from Touschek beam losses that can eliminate the need for dedicated accelerator runs for background measurements. This method is still statistics-limited. However, future studies should be able to verify this method, which in turn could lead to neutron background analysis runs symbiotic with normal Belle II operation. The capabilities demonstrated here also suggest that high definition recoil imaging in gas TPCs is applicable to low energy, low-background experiments, such as directional dark matter searches.
To grind or not to grind? The influence of mechanical and thermal treatments on the $\mathrm{Cu/Zn}$ disorder in $\mathrm{Cu}$ 2 $\mathrm{ZnSn}$($\mathrm{S}$ x $\mathrm{Se}$ 1-x ) 4 monograins
We report that Kesterite-type based thin film solar cell technologies are mainly based on polycrystalline absorber layers. A promising low cost alternative technology uses Cu 2 ZnSn(S x Se 1-x ) 4 (CZTSSe) monograins (single crystals of 20–100 μm size) which are fixed in a polymer matrix to form a flexible solar cell. The Cu/Zn disorder is discussed as a possible reason for band tailing causing voltage losses limiting the efficiency of CZTSSe-based devices. The experimental determination of the order parameter Q which is a quantitative measure of Cu/Zn disorder, requires a differentiation between the isoelectronic cations Cu + and Zn 2+ . An in-depth analysis of neutron diffraction data allows the determination of type and concentration of intrinsic point defects including a distinction between Cu and Zn. Neutron diffraction requires large sample volumes, thus monograins offer the unique possibility to correlate structural disorder in CZTSSe with device performance parameters. In this study we tackle the influence of grinding the monograins on stoichiometry deviations, the Cu/Zn disorder as well as intrinsic point defects and optoelectronic properties of CZTSSe monograins. Moreover, an easy methodology based on Raman scattering spectroscopy is proposed for the assessment of Cu/Zn disorder in the CZTSSe compounds.
Effect of Local Structural Distortions on Antiferroelectric–Ferroelectric Phase Transition in Dilute Solid Solutions of K x Na 1– x NbO 3
The fundamental principles that govern antiferroelectric (AFE)–ferroelectric (FE) transitions are not well understood for many solid solutions of perovskite compounds. For example, crystal chemical considerations based on the average Goldschmidt tolerance factor or ionic polarizability do not precisely predict the boundary between the AFE and FE phases in dilute solid solutions of alkali niobates, such as K x Na 1– x NbO 3 ( x ≤ 0.02). Here, based on detailed structural analysis from neutron total scattering experiments, we provide insights about how the relative local distortions around the A- and B-sites of the ABO 3 perovskite structure affect the AFE/FE order of the average crystallographic phases in K x Na 1– x NbO 3 . Specifically, we show that a higher (lower) ratio of B-site-centered distortions over A-site-centered distortions drives transition toward a long-range FE (AFE) phase, which is based on a competition between the long-range polarizing field of the Nb–O dipoles and the disordering effect of local distortions around the A-site. Our study provides a predictive tool for designing complex solid-solution perovskites with tunable (anti)ferroelectric polarization properties, which can be of interest for various energy-related applications such as high-density energy storage and solid-state cooling.
Competing Magnetic Interactions and the Role of Unpaired 4 f Electrons in Oxygen-Deficient Perovskites Ba 3 R Fe 2 O 7.5 ( R = Y, Dy)
Oxygen-deficient perovskite compounds with the general formula Ba 3 RFe 2 O 7.5 present a good opportunity to study competing magnetic interactions between Fe 3+ 3d cations with and without the involvement of unpaired 4f electrons on R 3+ cations. From analysis of neutron powder diffraction data, complemented by ab initio density functional theory calculations, we determined the magnetic ground states when R 3+ = Y 3+ (non-magnetic) and Dy 3+ (4f 9 ). They both adopt complex long-range ordered antiferromagnetic structures below T N = 6.6 and 14.5 K, respectively, with the same magnetic space group C a 2/c (BNS #15.91). However, the dominant influence of f-electron magnetism is clear in temperature dependence and differences between the size of the ordered moments on the two crystallographically independent Fe sites, one of which is enhanced by R–O–Fe superexchange in the Dy compound, while the other is frustrated by it. We report the Dy compound also shows evidence for temperature- and field-dependent transitions with hysteresis, indicating a field-induced ferromagnetic component below TN.
Correction to Unveiling the Role of Al 2 O 3 in Preventing Surface Reconstruction During High-Voltage Cycling of Lithium-Ion Batteries
A correction to this article was necessary to replace the original Figure 2 with the actual data in the revised Figure 2 shown here. An error was made while preparing the graphs from the neutron diffraction analysis software, and panel a was accidentally inserted into the panel b–d spots, such that all four panels were replicates. Since the original analysis of the data collected was made correctly, the conclusions and key points related to this section and the whole article remain unchanged. The revised goodness factors are slightly different because the refinements were repeated with small changes to the refinement conditions. The corresponding author has obtained approval from all coauthors in the article prior the submission of the Correction. The authors apologize for any inconveniences caused.
Kinetically Controlled Linker Binding in Rare Earth-2,5-Dihydroxyterepthalic Acid Metal–Organic Frameworks and Its Predicted Effects on Acid Gas Adsorption
In the pursuit of highly stable and selective metal–organic frameworks (MOFs) for the adsorption of caustic acid gas species, an entire series of rare earth MOFs have been explored. Each of the MOFs in this series (RE-DOBDC; RE = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu; DOBDC = 2,5-dihydroxyterepthalic acid) was synthesized in the tetragonal space group I4/m. Crystallized MOF samples, specifically Eu-DOBDC, were seen to have a combination of monodentate and bidentate binding when synthesized under typical reaction conditions, resulting in a contortion of the structure. However, extended crystallization times determined that this binding is kinetically controlled and that the monodentate binding option was crystallographically eliminated by extended reaction times at higher temperatures. Furthermore, this series allows for the direct study of the effect of the metal center on the structure of the of the MOF; herein, the lanthanide metal ionic radii contraction across the periodic table results in a reduction of the MOF pore size and lattice parameters. Scanning electron microscopy–energy-dispersive spectroscopy was used to investigate the stages of crystal growth for these RE-DOBDC MOFs. All MOFs, except Er-DOBDC had a minimum of two stages of growth. These analogues were demonstrated by analysis of neutron diffraction (PND) to exhibit a cooperative rotational distortion of the secondary building unit, resulting in two crystallographically distinct linker sublattices. Computational modeling efforts were used to show distinct differences on acid gas (NO 2 and SO 2 ) binding energies for RE-DOBDC MOFs when comparing the monodentate/bidentate combined linker with the bidentate-only linker crystal structures.
Analysis of Small-Angle Neutron Scattering from Blends of Charged and Neutral Polymers Based on Rod–Coil Random Phase Approximation
Blends of charged and neutral polymers are of interest due to potential applications in rechargeable batteries. In this study, concentration fluctuations in blends of charged poly[lithium 3-(methacryloyloxy)propylsulfonyl-1-(trifluoromethanesulfonyl)imide] (PLiMTFSI) and neutral poly(ethylene oxide) (PEO) were investigated by small-angle neutron scattering (SANS). The scattering data were analyzed in the framework of the random phase approximation (RPA). Since ion dissociation can lead to stiffening, the charged polymers were approximated as rods, while the neutral polymers were assumed to be random coils. This approach works reasonably well at low weight fractions of charged polymers. For blends with higher weight fractions of the charged polymer, concentration fluctuations were highly suppressed, resulting in q-independent coherent structure factors that are inconsistent with the rod-coil RPA.