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At least 235 records · Page 13

Rotational symmetry relation for efficient response function generation in the coarse mesh transport method COMET

The coarse mesh transport code COMET is a continuous energy hybrid stochastic-deterministic neutronics solver with high fidelity and formidable computation speed in solving reactor core problems. Its method is based on the incident flux expansion theory. In this work, we take advantage of the local geometric symmetry in many reactor cores lattices (e.g., fuel lattices and reflector blocks) to develop relations among the flux response expansion coefficients for symmetric surfaces to further improve the computational efficiency of the COMET response function generation tool (method). This is done by a rigorous derivation of the transformation matrices for the angular and spatial expansion moments resulting from a rotation of a coarse mesh by an arbitrary angle. The relations for the response coefficients for the symmetric surfaces can be then written as the Kronecker product of those transformation matrices. The method is implemented into COMET and tested on two advanced high temperature reactor (AHTR) full-length single assembly benchmark problems. The COMET results using the response function library based on the symmetry relations were compared to those using the library directly generated by continuous energy Monte Carlo for all surfaces. It was found that the eigenvalues and stripe-wise fission densities using the two libraries are in statistical agreement as expected. This indicates that the new method maintains the high fidelity of the original COMET method while improving the computational efficiency in the response function generation by 270% to 400%, depending on the local geometric symmetry. This method also reduces the size of the response function library by the same magnitude (270% to 400%). (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Assessment of software methods for estimating protein-protein relative binding affinities

A growing number of computational tools have been developed to accurately and rapidly predict the impact of amino acid mutations on protein-protein relative binding affinities. Such tools have many applications, for example, designing new drugs and studying evolutionary mechanisms. In the search for accuracy, many of these methods employ expensive yet rigorous molecular dynamics simulations. By contrast, non-rigorous methods use less exhaustive statistical mechanics, allowing for more efficient calculations. However, it is unclear if such methods retain enough accuracy to replace rigorous methods in binding affinity calculations. This trade-off between accuracy and computational expense makes it difficult to determine the best method for a particular system or study. Here, eight non-rigorous computational methods were assessed using eight antibody-antigen and eight non-antibody-antigen complexes for their ability to accurately predict relative binding affinities (ΔΔG) for 654 single mutations. In addition to assessing accuracy, we analyzed the CPU cost and performance for each method using a variety of physico-chemical structural features. This allowed us to posit scenarios in which each method may be best utilized. Most methods performed worse when applied to antibody-antigen complexes compared to non-antibody-antigen complexes. Rosetta-based JayZ and EasyE methods classified mutations as destabilizing (ΔΔG < -0.5 kcal/mol) with high (83–98%) accuracy and a relatively low computational cost for non-antibody-antigen complexes. Some of the most accurate results for antibody-antigen systems came from combining molecular dynamics with FoldX with a correlation coefficient (r) of 0.46, but this was also the most computationally expensive method. Overall, our results suggest these methods can be used to quickly and accurately predict stabilizing versus destabilizing mutations but are less accurate at predicting actual binding affinities. This study highlights the need for continued development of reliable, accessible, and reproducible methods for predicting binding affinities in antibody-antigen proteins and provides a recipe for using current methods.

59 BASIC BIOLOGICAL SCIENCES↗

Qutrit Circuits and Algebraic Relations: A Pathway to Efficient Spin-1 Hamiltonian Simulation

Quantum information processing has witnessed significant advancements through the application of qubit- based techniques within universal gate sets. Recently, exploration beyond the qubit paradigm to d-dimensional quantum units or qudits has opened new avenues for improving computational efficiency. This paper delves into the qudit-based approach, particularly addressing the challenges presented in the high-fidelity implementation of qudit-based circuits due to increased complexity. As an innovative approach towards enhancing qudit circuit fidelity, we explore algebraic relations, such as the Yang-Baxter-like turnover equation, which may enable circuit compression and optimization. The paper introduces the turnover relation for the three-qutrit time propagator and its potential use in reducing circuit depth. We further investigate whether this relation can be generalized for higher-dimensional quantum circuits, including a focused study on the one-dimensional spin-1 Heisenberg model. Our paper outlines both rigorous and numerically efficient approaches to potentially achieve this generalization, providing a foundation for further explorations in the field of qudit-based quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Climate-Related Indices for Agricultural Production

This document summarizes common indices used to characterize climate-related impacts to agricultural production. In particular, we consider indices for three phenomena: 1) drought, 2) growing period, and 3) heat stress (Table 1). It should be noted that these indices are far from exhaustive. Instead, they reflect common concerns related to production of agriculture that are emerging across multiple regions (Gunda et al., 2024). Other indices such as rate of return (Shand et al., 2024) can also be leveraged to support agriculture-related climate analyses as well.

54 ENVIRONMENTAL SCIENCES↗

Timestamp Error Detection and Estimation for PMU Data based on Linear Correlation between Relative Phase Angle and Frequency

Time synchronization is essential to synchro-phasor-based applications. However, Timestamp Error (TE) in synchrophasor data can result in application failures. This paper proposes a method for TE detection based on the linear correlation between frequency and relative phase angle. The TE converts the short-term relative phase angle from noise-like signal to one that linear with the frequency. Pearson Correlation Coefficient (PCC) is applied to measure the linear correlation and then detect the timestamp error. The time error is estimated based on the variation of frequency and relative phase angle. Case studies with actual synchrophasor data demonstrate the effectiveness of TE detection and excellent accuracy of TE estimation.

Yu, Wenpeng↗

COVID-19–Related School Closures, United States, July 27, 2020–June 30, 2022

As part of a multiyear project that monitored illness-related school closures, we conducted systematic daily online searches during July 27, 2020–June 30, 2022, to identify public announcements of COVID-19–related school closures (COVID-SCs) in the United States lasting ≥1 day. We explored the temporospatial patterns of COVID-SCs and analyzed associations between COVID-SCs and national COVID-19 surveillance data. COVID-SCs reflected national surveillance data: correlation was highest between COVID-SCs and both new PCR test positivity (correlation coefficient [r] = 0.73, 95% CI 0.56–0.84) and new cases (r = 0.72, 95% CI 0.54–0.83) during 2020–21 and with hospitalization rates among all ages (r = 0.81, 95% CI 0.67–0.89) during 2021–22. The numbers of reactive COVID-SCs during 2020–21 and 2021–22 greatly exceeded previously observed numbers of illness-related reactive school closures in the United States, notably being nearly 5-fold greater than reactive closures observed during the 2009 influenza (H1N1) pandemic.

60 APPLIED LIFE SCIENCES↗

Baltic Sea coastal sediment-bound eukaryotes have increased year-round activities under predicted climate change related warming

Climate change related warming is a serious environmental problem attributed to anthropogenic activities, causing ocean water temperatures to rise in the coastal marine ecosystem since the last century. This particularly affects benthic microbial communities, which are crucial for biogeochemical cycles. While bacterial communities have received considerable scientific attention, the benthic eukaryotic community response to climate change remains relatively overlooked. In this study, sediments were sampled from a heated (average 5°C increase over the whole year for over 50 years) and a control (contemporary conditions) Baltic Sea bay during four different seasons across a year. RNA transcript counts were then used to investigate eukaryotic community changes under long-term warming. The composition of active species in the heated and control bay sediment eukaryotic communities differed, which was mainly attributed to salinity and temperature. The family level RNA transcript alpha diversity in the heated bay was higher during May but lower in November, compared with the control bay, suggesting altered seasonal activity patterns and dynamics. In addition, structures of the active eukaryotic communities varied between the two bays during the same season. Hence, this study revealed that long-term warming can change seasonality in eukaryotic diversity patterns. Relative abundances and transcript expression comparisons between bays suggested that some taxa that now have lower mRNA transcripts numbers could be favored by future warming. Furthermore, long-term warming can lead to a more active metabolism in these communities throughout the year, such as higher transcript numbers associated with diatom energy production and protein synthesis in the heated bay during winter. In all, these data can help predict how future global warming will affect the ecology and metabolism of eukaryotic community in coastal sediments.

59 BASIC BIOLOGICAL SCIENCES↗

Cell Wall Compositions of Sorghum bicolor Leaves and Roots Remain Relatively Constant Under Drought Conditions

Renewable fuels are needed to replace fossil fuels in the immediate future. Lignocellulosic bioenergy crops provide a renewable alternative that sequesters atmospheric carbon. To prevent displacement of food crops, it would be advantageous to grow biofuel crops on marginal lands. These lands will likely face more frequent and extreme drought conditions than conventional agricultural land, so it is crucial to see how proposed bioenergy crops fare under these conditions and how that may affect lignocellulosic biomass composition and saccharification properties. We found that while drought impacts the plant cell wall of Sorghum bicolor differently according to tissue and timing of drought induction, drought-induced cell wall compositional modifications are relatively minor and produce no negative effect on biomass conversion. This contrasts with the cell wall-related transcriptome, which had a varied range of highly variable genes (HVGs) within four cell wall-related GO categories, depending on the tissues surveyed and time of drought induction. Further, many HVGs had expression changes in which putative impacts were not seen in the physical cell wall or which were in opposition to their putative impacts. Interestingly, most pre-flowering drought-induced cell wall changes occurred in the leaf, with matrix and lignin compositional changes that did not persist after recovery from drought. Most measurable physical post-flowering cell wall changes occurred in the root, affecting mainly polysaccharide composition and cross-linking. This study couples transcriptomics to cell wall chemical analyses of a C4 grass experiencing progressive and differing drought stresses in the field. As such, we can analyze the cell wall-specific response to agriculturally relevant drought stresses on the transcriptomic level and see whether those changes translate to compositional or biomass conversion differences. Our results bolster the conclusion that drought stress does not substantially affect the cell wall composition of specific aerial and subterranean biomass nor impede enzymatic hydrolysis of leaf biomass, a positive result for biorefinery processes. Coupled with previously reported results on the root microbiome and rhizosphere and whole transcriptome analyses of this study, we can formulate and test hypotheses on individual gene candidates’ function in mediating drought stress in the grass cell wall, as demonstrated in sorghum.

59 BASIC BIOLOGICAL SCIENCES↗

Stellar Mass and Stellar Mass-to-light Ratio–Color Relations for Low Surface Brightness Galaxies

We estimate the stellar mass for a sample of low surface brightness galaxies (LSBGs) by fitting their multiband spectral energy distributions (SEDs) to the stellar population synthesis model. The derived stellar masses (log M {sub *}/M {sub ⊙}) span from 7.1 to 11.1, with a mean of log M {sub *}/M {sub ⊙} = 8.5, which is lower than that for normal galaxies. The stellar mass-to-light ratio (γ*) in each band varies little with the absolute magnitude but increases with higher M {sub *}. This trend of γ* with M {sub *} is even stronger in bluer bands. In addition, the γ* for our LSBGs slightly declines from the r band to the longer-wavelength bands. The log γ{sub ∗}{sup j} (j = g, r, i, and z) have relatively tight relations with optical colors of g − r and g − i. Compared with several representative γ*–color relations (MLCRs) from the literature, our MLCRs based on LSBG data are consistently among those literature MLCRs previously defined on diverse galaxy samples, and the existing minor differences between the MLCRs are caused by the differences in the SED model ingredients (including initial mass function, star formation history, and stellar population model), line fitting techniques, galaxy samples, and photometric zero-point, rather than the galaxy surface brightness itself, which distinguishes LSBGs from high surface brightness galaxies. Our LSBGs would be very likely to follow those representative MLCRs previously defined in diverse galaxy populations, if those main ingredients were taken into account.

79 ASTRONOMY AND ASTROPHYSICS↗

Dust Reverberation of 3C 273: Torus Structure and Lag–Luminosity Relation

We monitored the z = 0.158 quasar 3C 273 between 2015 and 2019 in the optical (BVrz) and near-infrared (JHK) with the aim to perform dust reverberation mapping. Accounting for host galaxy and accretion disk contributions, we obtained pure dust light curves in JHK. Cross correlations between the V band and the dust light curves yield an average rest-frame delay for the hot dust of τ {sub cent} ∼ 410 days. This is a factor of two shorter than that expected from the the dust ring radius R {sub x} ∼ 900 lt-day reported from interferometric studies. The dust covering factor (CF) is about 8%, much smaller than that predicted from the half covering angle of 45° found for active galactic nuclei (AGNs). We analyze the asymmetric shape of the correlation functions and explore whether an inclined biconical bowl-shaped dust torus geometry could bring these findings (τ {sub cent}, R {sub x} and CF) into a consistent picture. The hot varying dust emission originates from the edge of the bowl rim with a small covering angle 40° < θ < 45°, and we see only the near side of the biconus. Such a dust gloriole with R {sub x} = 900 ± 200 lt-day and an inclination 12° matches the data remarkably well. Comparing the results of 3C 273 with literature for less luminous AGN, we find a lag–luminosity relation τ ∝ L {sup α} with α = 0.33–0.40, flatter than the widely adopted relation with α ∼ 0.5. We address several explanations for the new lag–luminosity relation.

79 ASTRONOMY AND ASTROPHYSICS↗

Self-consistent Color–Stellar Mass-to-light Ratio Relations for Low Surface Brightness Galaxies

The color–stellar mass-to-light ratio relation (CMLR) is a widely accepted tool for estimating the stellar mass (M {sub *}) of a galaxy. However, an individual CMLR tends to give distinct M {sub *} for a same galaxy when it is applied in different bands. Examining five representative CMLRs from the literature, we find that the difference in M {sub *} predicted in different bands from optical to near-infrared by a CMLR is 0.1 ∼ 0.3 dex. Based on a sample of low surface brightness galaxies that covers a wide range of color and luminosity, we therefore recalibrated each original CMLR in r, i, z, J, H, and K bands to give internally self-consistent M {sub *} for a same galaxy. The g–r is the primary color indicator in the recalibrated relations, which show little dependence on red (r–z) or near-infrared (J–K) colors. Additionally, the external discrepancies in the originally predicted γ {sub *} by the five independent CMLRs have been greatly reduced after recalibration, especially in the near-infrared bands, implying that the near-infrared luminosities are more robust in predicting γ {sub *}. For each CMLR, the recalibrated relations provided in this work could produce internally self-consistent M {sub *} from divergent photometric bands, and are extensions of the recalibrations from the Johnson–Cousin filter system by the pioneering work of McGaugh & Schombert to the filter system of the Sloan Digital Sky Survey.

79 ASTRONOMY AND ASTROPHYSICS↗

Near-infrared Census of RR Lyrae Variables in the Messier 3 Globular Cluster and the Period–Luminosity Relations

We present new near-infrared (NIR), JHK {sub s}, time-series observations of RR Lyrae variables in the Messier 3 (NGC 5272) globular cluster using the WIRCam instrument at the 3.6 m Canada–France–Hawaii Telescope. Our observations cover a sky area of ∼21′ × 21′ around the cluster center and provide an average of 20 epochs of homogeneous JHK {sub s}-band photometry. New homogeneous photometry is used to estimate robust mean magnitudes for 175 fundamental-mode (RRab), 47 overtone-mode (RRc), and 11 mixed-mode (RRd) variables. Our sample of 233 RR Lyrae variables is the largest thus far obtained in a single cluster with time-resolved, multiband NIR photometry. NIR-to-optical amplitude ratios for RR Lyrae in Messier 3 exhibit a systematic increase moving from RRc to short-period (P < 0.6 day) and long-period (P ≳ 0.6 day) RRab variables. We derive JHK {sub s}-band period–luminosity relations for RRab, RRc, and the combined sample of variables. Absolute calibrations based on the theoretically predicted period–luminosity–metallicity relations for RR Lyrae stars yield a distance modulus, μ=15.041±0.017 (statistical)±0.036 (systematic) mag, to Messier 3. When anchored to trigonometric parallaxes for nearby RR Lyrae stars from the Hubble Space Telescope and the Gaia mission, our distance estimates are consistent with those resulting from the theoretical calibrations, albeit with relatively larger systematic uncertainties.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiparameter Constraints on Empirical Infrasound Period-Yield Relations for Bolides and Implications for Planetary Defense

How effective are methods for estimating bolide energies from infrasound signal period-yield relationships? A single global period–energy relation can obscure significant variability introduced by parameters such as the atmospheric Doppler wind profile and the bolide’s energy deposition profile as a function of altitude. Bolide speed, entry angle, burst altitude, and multiepisode fragmentation may all play a role in defining the detected period of the shockwave. By leveraging bolide light-curve data from the Center for Near Earth Object Studies, we re-examined the period–energy relation as a function of these parameters. Through a bootstrap approach, we show that various event subsets can deviate from widely cited period–energy models and we identify which specific conditions most strongly reshape the period–energy scaling. The results define both the fidelity and reliability of period–energy relations when no additional data beyond the infrasound record is available and improve the outcome when supporting data from bolide trajectories and light curves are included. Ultimately, these findings expand the scope of earlier models, providing a nuanced and robust framework for infrasound-only yield estimation under a range of bolide scenarios.

Planetary science↗

Conditional H I Mass Functions and the H I -to-halo Mass Relation in the Local Universe

We present a new H I mass estimator that relates log 10 (M HI /M * ) to a linear combination of four galaxy properties: stellar surface mass density, color index u - r, stellar mass, and concentration index, with the scatter of individual galaxies around the mean H I mass modeled with a Gaussian distribution function. We calibrate the estimator using the xGASS sample, including both H I detection and nondetection, and constrain the model parameters through Bayesian inferences. Tests with mock catalogs demonstrate that our estimator provides unbiased H I masses for optical samples like SDSS. We apply our estimator to the SDSS spectroscopic sample to estimate the H I mass function (HIMF) of local galaxies, as well as the conditional H I mass function in galaxy groups and the H I –halo mass relation. Our HIMF agrees with the ALFALFA measurements at M HI ≳ 5 × 10 9 M ⊙ , but with higher amplitude and a steeper slope at lower masses. We show that this discrepancy is caused primarily by the cosmic variance, which is corrected for the SDSS sample but not for ALFALFA. The total CHIMFs for all halo masses can be described by a single Schechter function, while those of central galaxies show a double-Gaussian profile. The total H I mass in a group increases monotonically with halo mass, but for central galaxies, the H I mass shows weak dependence on halo mass when M h ≳ 10 12 M ⊙ . The observed H I –halo mass relation is not reproduced by current hydrodynamic simulations and semianalytic models of galaxy formation.

79 ASTRONOMY AND ASTROPHYSICS↗

Relation of Observable Stellar Parameters to Mass-loss Rate of AGB Stars in the LMC

Using the data set of Riebel et al. for 6889 pulsating AGB stars in the LMC, we have derived formulae for mass-loss rate as a function of luminosity and pulsation period, or luminosity and mass, in three ways, for each of five subsets of data: fundamental-mode oxygen-rich stars, first-overtone-mode oxygen-rich stars, fundamental-mode carbon stars, first-overtone-mode carbon stars, and extreme carbon stars. Using the distribution of the stars in period versus luminosity and mass versus luminosity, we are able to derive a power-law fit to the dependence of mass-loss rate on those quantities. This results in formulae that reproduce observed mass-loss rates and are in general agreement with the expectation from mass-loss models that the mass-loss rate is highly sensitive to luminosity, mass, and pulsation period. In the process of carrying out this analysis we have found radius–mass–luminosity relations and examined pulsation–mass–radius relations using published evolutionary and pulsation models. These allow us to derive mass and radius from the observed quantities luminosity and pulsation period. We also derived new mass-loss rate versus color relations.

79 ASTRONOMY AND ASTROPHYSICS↗

An extended radar relative calibration adjustment (eRCA) technique for higher-frequency radars and range–height indicator (RHI) scans

Abstract. This study extends the relative calibration adjustment technique for calibration of weather radars to higher-frequency radars as well as range–height indicator (RHI) scans. The calibration of weather radars represents one of the most dominant sources of error for their use in a variety of fields including quantitative precipitation estimation and model comparisons. While most weather radars are routinely calibrated, the frequency of calibration is often less than required, resulting in miscalibrated time periods. While full absolute calibration techniques often require the radar to be taken offline for a period of time, there have been online calibration techniques discussed in the literature. The relative calibration adjustment (RCA) technique uses the statistics of the ground clutter surrounding the radar as a monitoring source for the stability of calibration but has only been demonstrated to work at S- and C-band for plan-position indicator (PPI) scans at a constant elevation. In this work the RCA technique is modified to work with higher-frequency radars, including Ka-band cloud radars. At higher frequencies the properties of clutter can be much more variable. This work introduces an extended clutter selection procedure that incorporates the temporal stability of clutter and helps to improve the operational stability of RCA for relatively higher-frequency radars. The technique is also extended to utilize range–height scans from radars where the elevation is varied rather than the azimuth. These types of scans are often utilized with research radars to examine the vertical structure of clouds. The newly extended technique (eRCA) is applied to four Department of Energy Atmospheric Radiation Measurement (DOE ARM) weather radars ranging in frequency from C- to Ka-band. Cross comparisons of three co-located radars with frequencies C, X, and Ka at the ARM Cloud, Aerosol, and Complex Terrain Interactions (CACTI) site show that the technique can determine changes in calibration. Using an X-band radar at the ARM Eastern North Atlantic (ENA) site, we show how the technique can be modified to be more resilient to clutter fields that show increased variability, in this case due to sea clutter. The results show that this technique is promising for a posteriori data calibration and monitoring.

47 OTHER INSTRUMENTATION↗

Soil-related developments of the Biome-BGCMuSo v6.2 terrestrial ecosystem model

Terrestrial biogeochemical models are essential tools to quantify climate–carbon cycle feedback and plant–soil relations from local to global scale. In this study, a theoretical basis is provided for the latest version of the Biome-BGCMuSo biogeochemical model (version 6.2). Biome-BGCMuSo is a branch of the original Biome-BGC model with a large number of developments and structural changes. Earlier model versions performed poorly in terms of soil water content (SWC) dynamics in different environments. Moreover, lack of detailed nitrogen cycle representation was a major limitation of the model. Since problems associated with these internal drivers might influence the final results and parameter estimation, additional structural improvements were necessary. In this paper the improved soil hydrology as well as the soil carbon and nitrogen cycle calculation methods are described in detail. Capabilities of the Biome-BGCMuSo v6.2 model are demonstrated via case studies focusing on soil hydrology, soil nitrogen cycle, and soil organic carbon content estimation. Soil-hydrology-related results are compared to observation data from an experimental lysimeter station. The results indicate improved performance for Biome-BGCMuSo v6.2 compared to v4.0 (explained variance increased from 0.121 to 0.8 for SWC and from 0.084 to 0.46 for soil evaporation; bias changed from -0.047 to -0.007 m 3 m -3 for SWC and from -0.68 to -0.2 mm d -1 for soil evaporation). Simulations related to nitrogen balance and soil CO 2 efflux were evaluated based on observations made in a long-term field experiment under crop rotation. The results indicated that the model is able to provide realistic nitrate content estimation for the topsoil. Soil nitrous oxide (N 2 O) efflux and soil respiration simulations were also realistic, with overall correspondence with the observations (for the N 2 O efflux simulation bias was between -0.13 and -0.1 mgNm -2 d -1 , and normalized root mean squared error (NRMSE) was 32.4 %–37.6 %; for CO 2 efflux simulations bias was 0.04–0.17 gCm -2 d -1 , while NRMSE was 34.1 %–40.1 %). Sensitivity analysis and optimization of the decomposition scheme are presented to support practical application of the model. The improved version of Biome-BGCMuSo has the ability to provide more realistic soil hydrology representation as well as nitrification and denitrification process estimation, which represents a major milestone.

58 GEOSCIENCES↗

A new approach to the evaluation and solution of the relativistic kinetic dispersion relation and verification with continuum kinetic simulation

Here, the present work describes a new approach to evaluation and root finding for the kinetic dispersion relation of Langmuir waves, which is central to the analytical understanding of collisionless damping in plasmas. The plasma dispersion function is solved to machine precision using direct integration in the complex plane in combination with an analytic evaluation of the residue to account for the deformation along the Landau contour. To efficiently attain machine precision, the contour is displaced in the complex plane prior to integration, and numerical subtleties related to the placement of the contour are discussed. The approach is generic in that it applies to arbitrary distribution functions, with the present manuscript focused on relativistic cases. Detailed verification of results via direct kinetic simulation in a variety of configuration space dimensions is also presented. Finally, the technique is applied to the challenging case of highly relativistic (i.e. extremely hot) plasmas. Here we show both qualitative agreement with prior work, as well as the disappearance of the Landau root which would have significant implication for real-life observation or experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗