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The goal of this project was to conduct an evaluation of F-500 Multi-Purpose Encapsulator Agent for viability as a contamination fixative and fire suppression agent for specific applications related to work performed at the Pantex Plant and Y-12 National Security Complex.
The computational modeling of nearly incompressible materials is a difficult task for many numerical methods, and even after several decades of investigation, it is still an active research area. This report seeks to address the treatment of incompressible materials in meshfree methods using a synergistic combination of two treatments. The first treatment is an $\bar{F}$ method, where the decomposed dilatational and deviatoric parts are calculated over different smoothing domains. The second treatment “activates” additional nodes throughout the domain to increase the flexibility of the model. We implement this synergistic combination in the context of the reproducing kernel particle method (RKPM) and present results for the Cook’s membrane benchmark problem. The results are compared with those using the composite tet10 finite element with a volume-averaged J formulation. We show that the combined treatment is an effective way to deal with nearly incompressible materials in a meshfree framework and compares well with other highly-effective treatments.
Delta Scuti stars, spanning spectral types A to F with masses between 1.5 and 2.5 solar masses, exhibit a complex mix of radial and non-radial pressure modes. This study focuses on 15 Delta Scuti, Gamma Doradus, and Hybrid candidate stars using TESS satellite photometry data with a time series of exposures ranging from 20 to 600 seconds across different sky regions. Employing the prewhitening technique via fast Fourier transforms, significant frequencies are extracted from light curves. Three approximation methods are used to estimate critical stellar parameters such as density, radius, and mass. This research also verifies the variability of these stars, which are currently not classified as variable in databases like SIMBAD.
Fission yield evaluations rely not only on precise measurements, but also on clear documentation of experimental conditions especially the energy of incident neutrons inducing fission. In the EXFOR database, following the convention adopted in past evaluations, the incident neutron energy has traditionally been divided in only three energy groups: thermal, fast and 14 MeV. The information is stored in the EN-DUMMY field, which often serves as a placeholder in the presence of broad-spectrum or reactor-based sources. This work reviews 238 U(n,f) entries in EXFOR that use EN-DUMMY, identifying cases where better energy estimates can be made based on the original publications, facility characteristics, or reconstructed neutron spectra. We assign new cross-section-weighted average energies where possible. The revised independent and cumulative fission yield data are compiled for future use in model development and evaluation efforts.
Abstract We report on highly-scaled Al 0.25 Ga 0.75 N channel high electron mobility transistors. Regrown ohmic contacts covering the sidewall of the compressively strained Al 0.25 Ga 0.75 N channel exhibited a low contact resistance ofR c = 0.23 Ω · mm. Scaled devices with a T-shaped gate showed record high speed for any AlGaN-based transistors,f T /f max = 67/166 GHz, while simultaneously achieving high average breakdown field exceeding 2 MV cm −1 . The load-pull measurements performed at 10 GHz revealed a 20% peak power added efficiency with an output power density of 2 W mm −1 , which is mainly limited by the RF dispersion.
We report the discovery of TOI-677 b, first identified as a candidate in light curves obtained within Sectors 9 and 10 of the Transiting Exoplanet Survey Satellite (TESS) mission and confirmed with radial velocities. TOI-677 b has a mass of M{sub p} = 1.236{sub −0.067}{sup +0.069} M{sub J}, a radius of R{sub P} = 1.170±0.03 R{sub J}, and orbits its bright host star (V = 9.8 mag) with an orbital period of 11.23660±0.00011 d, on an eccentric orbit with e=0.435±0.024. The host star has a mass of M{sub ⋆} = 1.181±0.058 M{sub ⊙}, a radius of R{sub ⋆} = 1.28{sub −0.03}{sup +0.03} R{sub ⊙}, an age of 2.92{sub −0.73}{sup +0.80} Gyr and solar metallicity, properties consistent with a main-sequence late-F star with T{sub eff}=6295±77 K. We find evidence in the radial velocity measurements of a secondary long-term signal, which could be due to an outer companion. The TOI-677 b system is a well-suited target for Rossiter–Mclaughlin observations that can constrain migration mechanisms of close-in giant planets.
In the search for planets orbiting distant stars, the presence of stellar activity in the atmospheres of observed stars can obscure the radial velocity signal used to detect such planets. Furthermore, this stellar activity contamination is set by the star itself and cannot simply be avoided with better instrumentation. Various stellar activity indicators have been developed that may correlate with this contamination. We introduce a new stellar activity indicator called the Stellar Activity F-statistic for Exoplanet surveys (SAFE) that has higher statistical power (i.e., probability of detecting a true stellar activity signal) than many traditional stellar activity indicators in a simulation study of an active region on a Sun-like star with a moderate-to-high signal-to-noise ratio. Also through simulation, the SAFE is demonstrated to be associated with the projected area on the visible side of the star covered by active regions. We also demonstrate that the SAFE detects statistically significant stellar activity in most of the spectra for HD 22049, a star known to have high stellar variability. Additionally, the SAFE is calculated for recent observations of the three low-variability stars HD 34411, HD 10700, and HD 3651, the latter of which is known to have a planetary companion. As expected, the SAFE for these three only occasionally detects activity. Furthermore, initial exploration appears to indicate that the SAFE may be useful for disentangling stellar activity signals from planet-induced Doppler shifts.
This chapter summarizes radiochemistry and its applications with a focus on areas where computational science can be beneficial. This is presented for a target audience of computational scientists and chemists, and the general public who are interested in radiochemistry topics that may benefit from the use of computational methods. Past, present, and future applications of radiochemistry are presented along with a brief examination of the field’s workforce. Discussions of the current state of several radiochemistry specialty areas are also included. These discussions generally exemplify topics that are readily amenable to computational tools. Topics discussed include medical uses for radioactive materials and related computational needs; the current and future trends in the separations of the f-block elements; production and uses of Californium-252; and the need for exascale computing to solve current problems in the chemistry of Americium and Plutonium.
Many compelling models predict dark matter coupling to the electromagnetic current through higher multipole interactions, while remaining electrically neutral. Different multipole couplings have been studied, among them anapole moment, electric and magnetic dipole moments, and millicharge. This study sets limits on the couplings for these photon-mediated interactions using non-relativistic contact operators in an effective field theory framework. Using data from the PICO-60 bubble chamber leading limits for dark matter masses between 2.7 GeV/c$^2$ and 24 GeV/c$^2$ are reported for the coupling of these photon-mediated dark matter-nucleus interactions. The detector was filled with 52 kg of C$_3$F$_8$ operating at thermodynamic thresholds of 2.45 keV and 3.29 keV, reaching exposures of 1404 kg-day and 1167 kg-day, respectively.
The bubble nucleation efficiency of low-energy nuclear recoils in superheated liquids plays a crucial role in interpreting results from direct searches for weakly interacting massive particle (WIMP) dark matter. The PICO Collaboration presents the results of the efficiencies for bubble nucleation from carbon and fluorine recoils in superheated C$_3$F$_8$ from calibration data taken with 5 distinct neutron spectra at various thermodynamic thresholds ranging from 2.1 keV to 3.9 keV. Instead of assuming any particular functional forms for the nuclear recoil efficiency, a generalized piecewise linear model is proposed with systematic errors included as nuisance parameters to minimize model-introduced uncertainties. A Markov-Chain Monte-Carlo (MCMC) routine is applied to sample the nuclear recoil efficiency for fluorine and carbon at 2.45 keV and 3.29 keV thermodynamic thresholds simultaneously. The nucleation efficiency for fluorine was found to be $\geq 50\, \%$ for nuclear recoils of 3.3 keV (3.7 keV) at a thermodynamic Seitz threshold of 2.45 keV (3.29 keV), and for carbon the efficiency was found to be $\geq 50\, \%$ for recoils of 10.6 keV (11.1 keV) at a threshold of 2.45 keV (3.29 keV). Simulated data sets are used to calculate a p-value for the fit, confirming that the model used is compatible with the data. The fit paradigm is also assessed for potential systematic biases, which although small, are corrected for. Additional steps are performed to calculate the expected interaction rates of WIMPs in the PICO-60 detector, a requirement for calculating WIMP exclusion limits.
The National Energy Technology Laboratory (NETL) is updating its study titled “Cost and Performance Baselines for Fossil Energy Plants, Volume 1: Bituminous Coal and Natural Gas to Electricity.” Revision 4 was published in 2019. Pulverized coal (PC) and natural gas combined cycle (NGCC) cases with carbon capture in that study capture carbon dioxide (CO2) at 90% efficiency. Field-testing of post-combustion CO2 capture technology as well as vendor and industry feedback on projects currently in the planning stages (including FEED projects sponsored by DOE) indicate that capture rates as high as 95% are feasible for both coal- and natural gas-fueled electricity generating units. Technology suppliers (as reflected in vendor-supplied information provided to DOE for this study that included cost and performance estimates for both NGCC (97%) and PC (99%) study cases) as well as subject matter experts acknowledge and support that solvent-based post-combustion CO2 capture technologies are capable of achieving CO2 removal rates beyond 95% on low-purity streams representative of fossil-fueled combustion; however, the relatively limited experience with design and operation of capture systems that can routinely, reliably, and economically achieve very high removal rates (e.g., 97% for NGCC flue gas) requires further study. This presentation will address performance and cost estimates for 90%, 95%, and 97% capture for F- and H-class NGCC plants. This presentation was given at the 2022 Pittsburgh Coal Conference.
Understanding the impact of ionizing radiation on ligands employed and proposed for the separation, recovery, and transport of actinide ions is of vital importance for the innovation of nuclear fuel cycle technologies. In the presence of ionizing radiation fields, complexing ligands are subject to radiolytic processes, that lead to their destruction and the formation of potentially detrimental degradation products. Consequently, mastery of the radiation-induced behavior of these ligands is essential for predicting and optimizing their effectiveness, longevity, and minimizing the negative impacts of radiolysis. Furthermore, this knowledge is critical for the design of more radiation resistant molecules to be incorporated into advanced separation technologies. That said, the radiation chemistry of most actinide complexants have only been studied in the absence of their targeted metal ion complexes, which can lead to inaccurate conclusions on their radiolytic robustness and impacts on performance. With this in mind, we present our findings on the impact of f-element complexation and chemical environment on the radiation-induced chemical reactivity of N,N,N',N'-tetraoctyl diglycolamide (TODGA) and the model octadentate hydroxypyridinone ligand 3,4,3-LI(1,2-HOPO) (abbreviated as HOPO), both promising candidates for actinide separations
Precision tests of the Standard Model (SM) currently show a deficit in first-row Cabibbo-Kobayashi-Maskawa (CKM) unitarity. In this talk, we discuss progress towards a correlated analysis of the lattice-QCD inputs needed to test this relation with kaon data using highly improved staggered quarks (HISQ) on the MILC $N_{f}=2+1+1$ configurations. We present the status of a new analysis of light-meson decay constant data where chiral-continuum fits are guided by staggered chiral perturbation theory (SChPT). The goal of SChPT is twofold: it allows us to use data not only at physical pion mass but also at unphysical masses. Moreover, it provides values of ChPT low energy constants (LECs) as well as their correlations. We also present a reanalysis of our previous kaon semileptonic form factor calculation, aiming to estimate correlations between the form factor and light-meson decay constants. We discuss the new methodology, new data included, and present some preliminary results.
The United States aims to triple its nuclear energy production by 2050, which will result in increased uranium usage and spent nuclear fuel generation. This highlights the need for a comprehensive understanding of actinide coordination chemistry, which is crucial for the extraction, processing, purification, and fabrication of uranium-based fuels. Moreover, it is vital for the reprocessing or safe disposal of nuclear waste and effective remediation efforts. Achieving this successfully requires an in-depth understanding of f-electron behavior, as “the role of 5f electrons in bond formation remains a fundamental topic in actinide chemistry”. Introducing a second metal into the system can increase structural dimensionality and diversify structural architecture. Heterometallic systems can also alter material properties, such as magnetic and spectroscopic characteristics, luminescence, and actinide mobility. Additionally, secondary transition metals, even when present only in the second coordination sphere and not directly coordinated, can influence the electron density at the actinyl metal center. In this study, uranium heterometallic single crystals were synthesized by incorporating transition metals such as iron(III), iron(II), nickel(II), manganese(II), copper(I), and cobalt(II). The crystals were formed using 2,6-pyridine dicarboxylic acid and other structurally similar ligands with varying functional groups. The synthesized crystals were analyzed using an extensive array of analytical and computational characterization techniques, including single crystal X-ray diffraction, Raman and infrared spectroscopy, and density functional theory calculations.
We report the instability of sulfide solid electrolytes to Li anode and high-voltage LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cathodes limits the cyclic performance of all-solid-state lithium battery (ASSLB). Herein, the stability of Li 6 PS 5 Cl against Li anode is enhanced by mixing a small amount (0.32 wt%) of CuF 2 -LiNO 3 (CL) into Li 6 PS 5 Cl electrolyte layer to in-situ form a mixed-conductive-lithiophobic and self-healing LiF-Li 3 N-Cu solid electrolyte interphase (SEI) at Li 6 PS 5 Cl-CL/Li interface. The critical current density (CCD) of Li 6 PS 5 Cl-CuF 2 -LiNO 3 increases to 1.4 mA cm –2 /1.4 mAh cm –2 at room temperature, which is much higher than that of pristine Li 6 PS 5 Cl (0.4 mA cm –2 /0.4 mAh cm –2 ) even though mixing 0.32 wt% CL into Li 6 PS 5 Cl slightly reduces the ionic conductivity from 2.9 × 10 –3 to 1.5 × 10 –3 S cm –1 . The compatibility of Li 6 PS 5 Cl-CL electrolyte to single-crystalline NMC811 (S-NMC811) is further enhanced by adding a small amount (0.02 wt%) of AlF 3 into Li 6 PS 5 Cl-CL forming Li 6 PS 5 Cl-CuF 2- LiNO 3 -AlF 3 (Li 6 >PS 5 Cl-CLA) as a cathode electrolyte and by doing Cl – on S-NMC811 (Cl@S-NMC811) surface. The Cl@S-NMC811-Li 6 PS 5 Cl-CLA|Li 6 PS 5 Cl-CL|Li cells with areal capacity of 2.55 mAh cm -2 achieve a capacity retention of 69.4% after 100 cycles at 1C (1C = 200 mAh g -1 ). Adding a small amount of SEI and cathode/electrolyte interphase (CEI) former into the sulfide electrolytes with minimal reduction (48.3%) of ionic conductivity is an effective method to enhance the performance of ASSLB.
We begin with an E 8 × E 8 Heterotic model broken to an SU(5) gauge × U(1) X and a twin SU(5) gauge × U(1) X , where one SU(5) and its spectrum is identified as the visible sector while the other can be identified as a hidden twin sector. In both cases we obtain the minimal supersymmetric standard model (MSSM) spectrum after Wilson-line symmetry-breaking enhanced by a low energy R-parity and $Z$$^{R}_{4}$ symmetry. We argue that there will not be any observable proton decay in this model.
we report a multi-species linearized collision operator based on the model developed by Sugama et al. has been implemented in the nonlinear gyrokinetic code, GENE. Such a model conserves particles, momentum, and energy to machine precision, and is shown to have negative definite free energy dissipation characteristics, satisfying Boltzmann’s H-theorem, including for realistic mass ratio. Finite Larmor Radius (FLR) effects have also been implemented into the local version of the code. For the global version of the code, the collision operator has been developed to allow for block-structured velocity space grids, allowing for computationally tractable collisional global simulations. The validity of the collision operator has been demonstrated by relaxation and conservation tests, as well as appropriate benchmarks. The newly implemented operator shall be used in future simulations to study magnetically confined fusion plasma turbulence and transport in more extreme regions with higher collisionality.
In this contribution, we have conducted an examination of crystallographic data which includes 184 4f- and 5f-structures containing the M 6 O 8 or M 6 O 9 moiety. Since much of the work in this field has actually been done to explore the formation and properties of metal organic frameworks (MOFs), we hope that this collection can be used by actinide scientists to further investigate structural and mechanistic trends and gain insight into the formation of these compounds. Here we discuss the general trends in coordination, ligands used, and bonding within the M 6 O 8 or M 6 O 9 core in the hope that further computational work can benefit.