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All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

The metric of the cosmos from luminosity and age data

This paper presents the algorithm for determining the Lemaître-Tolman model that best fits given datasets for maximum stellar ages, and SNIa luminosities, both as functions of redshift. It then applies it to current cosmological data. Special attention must be given to the handling of the origin, and the region of the maximum diameter distances. As with a previous combination of datasets (galaxy number counts and luminosity distances versus redshift), there are relationships that must hold at the region of the maximum diameter distance, which are unlikely to be obeyed exactly by real data. We show how to make corrections that enable a self-consistent solution to be found. We address the questions of the best way to approximate discrete data with smooth functions, and how to estimate the uncertainties of the output — the 3 free functions that determine a specific Lemaître-Tolman metric. While current data does not permit any confidence in our results, we show that the method works well, and reasonable Lemaître-Tolman models do fit with or without a cosmological constant.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Anomaly Detection in Dynamic Networks

Anomaly detection in dynamic communication networks has many important security applications. These networks can be extremely large and so detecting any changes in their structure can be computationally challenging; hence, computationally fast, parallelisable methods for monitoring the network are paramount. For this reason the methods presented here use independent node and edge based models to detect locally anomalous substructures within communication networks. As a first stage, the aim is to detect changes in the data streams arising from node or edge communications. Throughout the thesis simple, conjugate Bayesian models for counting processes are used to model these data streams. A second stage of analysis can then be performed on a much reduced subset of the network comprising nodes and edges which have been identified as potentially anomalous in the first stage. The first method assumes communications in a network arise from an inhomogeneous Poisson process with piecewise constant intensity. Anomaly detection is then treated as a changepoint problem on the intensities. The changepoint model is extended to incorporate seasonal behavior inherent in communication networks. This seasonal behavior is also viewed as a changepoint problem acting on a piecewise constant Poisson process. In a static time frame, inference is made on this extended model via a Gibbs sampling strategy. In a sequential time frame, where the data arrive as a stream, a novel, fast Sequential Monte Carlo (SMC) algorithm is introduced to sample from the sequence of posterior distributions of the change points over time. A second method is considered for monitoring communications in a large scale computer network. The usage patterns in these types of networks are very bursty in nature and don’t fit a Poisson process model. For tractable inference, discrete time models are considered, where the data are aggregated into discrete time periods and probability models are fitted to the communication counts. In a sequential analysis, anomalous behavior is then identified from outlying behavior with respect to the fitted predictive probability models. Seasonality is again incorporated into the model and is treated as a changepoint model on the transition probabilities of a discrete time Markov process. Second stage analytics are then developed which combine anomalous edges to identify anomalous substructures in the network.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Atacama Cosmology Telescope: Constraints on prerecombination early dark energy

The early dark energy (EDE) scenario aims to increase the value of the Hubble constant (H0) inferred from cosmic microwave background (CMB) data over that found in the standard cosmological model (Λ CDM ), via the introduction of a new form of energy density in the early Universe. The EDE component briefly accelerates cosmic expansion just prior to recombination, which reduces the physical size of the sound horizon imprinted in the CMB. Previous work has found that nonzero EDE is not preferred by Planck CMB power spectrum data alone, which yield a 95% confidence level (C.L.) upper limit f EDE < 0.087 on the maximal fractional contribution of the EDE field to the cosmic energy budget. In this paper, we fit the EDE model to CMB data from the Atacama Cosmology Telescope (ACT) data release 4. We find that a combination of ACT, large-scale Planck TT (similar to WMAP), Planck CMB lensing, and BAO data prefers the existence of EDE at >99.7 % C .L . : f EDE = 0.091$^{+0.020}_{-0.036}$, with H 0 = 70.9$^{+1.0}_{-2.0}$ km/s/Mpc (both 68% C.L.). From a model-selection standpoint, we find that EDE is favored over Λ CDM by these data at roughly 3 σ significance. In contrast, a joint analysis of the full Planck and ACT data yields no evidence for EDE, as previously found for Planck alone. We show that the preference for EDE in ACT alone is driven by its TE and EE power spectrum data. The tight constraint on EDE from Planck alone is driven by its high-ℓ TT power spectrum data. Understanding whether these differing constraints are physical in nature, due to systematics, or simply a rare statistical fluctuation is of high priority. Here, the best-fit EDE models to ACT and Planck exhibit coherent differences across a wide range of multipoles in TE and EE, indicating that a powerful test of this scenario is anticipated with near-future data from ACT and other ground-based experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Neutron-proton pairing correction in the extended isovector and isoscalar pairing model

An extended O ST (8) model with multi j-orbits is constructed based on the angular momentum decomposition with “pseudo”-spin S for valence nucleons in a j-orbit. It is shown that the isovector S = 0 and T=1 pairs are exactly the J=0 and T=1 pairs in a given j-orbit, while the isoscalar S = 1 pairs are linear combinations of J=odd pairs, with which the pairing Hamiltonian can be used to estimate isovector and isoscalar pairing interactions. As an example of the model application, some low-lying J = 0 + level energies of even-even and odd-odd A=18 – 28 nuclei up to the half-filling in the ds-shell above the 16 O core are fit by the model and compared with the fitting results of the same Hamiltonian in the O LST (8) form. It has been verified from the fitting of both the models that the isoscalar pairing interaction can be neglected in the lower energy part of the spectra of these ds-shell nuclei as far as binding energies and a few J=0 + excited levels of these nuclei are concerned. With the mean-field plus isovector pairing interaction only, neutron-neutron, proton-proton, and neutron-proton pairing contributions at the ground or the lowest J=0 + state of these nuclei are estimated. It is shown that the isovector np-pairing contribution to the binding in the odd-odd N=Z nuclei is systematically larger than that in the even-even nuclei. Furthermore, the isoscalar np-pair content at the lowest J=0+ state of these nuclei is also estimated. In both the O ST (8) and O LST (8) models, it is clearly shown that the isoscalar-pair content in the lowest J=0 + state of the N=Z and N=Z±2 nuclei increases with increasing of the valence nucleons, especially in those even-even nuclei, which indicates the isoscalar pairing correlation to be of importance at low-lying states of N=Z and N=Z±2 nuclei, especially in those even-even nuclei with more valence nucleons up to the half-filling, even though the isoscalar pairing interaction is negligible.

20 ≤ A ≤ 38↗
DOE OSTI2017

Correction of confidence intervals in excess relative risk models using Monte Carlo dosimetry systems with shared errors

Introduction: Measurement errors are ubiquitous in epidemiological studies, especially for doses arising from environmental and occupational exposures, which are difficult to assess. Correction methods for independent measurement errors, have been comprehensively described elsewhere, including regression calibration, simulation extrapolation (SIMEX), etc. However, when exposure estimates are constructed using complicated physical and biological models, uncertainties in the dosimetry system can become very complex. In such systems, uncertainties in some parameters may affect a large group of study participants simultaneously, and hence are “shared” as opposed to independent dosimetric uncertainties. Representing the structure of the uncertainty in the dosimetry by providing multiple realizations of possible dose has been described for several studies. The goal of this paper is to implement, and explore the properties of, a generalized estimating equation-based approach to shared uncertainties based on principles described in an earlier paper. Methods: The effects of shared and unshared dosimetry error on parameter estimates and confidence intervals in a generalized excess relative risk model are examined. A post-hoc correction method is implemented that constructs corrected confidence intervals based on an underlying variance structure described in an earlier paper. In this correction method it is assumed that the estimated slope parameter in a linear excess relative risk model is distributed as a mixture of normal and lognormal components. A simulation study of the behavior of this correction was developed based on multiple realizations provided by the Monte Carlo dosimetry system used for the plutonium exposures in the Mayak Worker Cohort and a risk model with close similarity to that used in analyses of lung cancer data in that cohort. Results: In the simulation study we found that shared dose errors severely degraded the coverage probabilities of confidence limits for the slope parameter in the linear excess relative risk model relating uncertain exposure to lung cancer risk. Using our correction method to adjust the confidence intervals provided much improved coverage probabilities for this parameter. A smaller amount of degradation in confidence interval coverage for other parameters (e.g. those in the baseline and dose modification terms) was noted, and the proposed correction method also improved coverage for these parameters as well. Discussion: Compared to other recently described methods our proposed correction method relies on relatively familiar software to fit dose response models. The basic modeling philosophy described here first uses existing Poisson regression methods to estimate parameters in the excess relative risk model; in this first stage mean dose (computed from the multiple realizations) is used as the independent variable in the regression. Once the model is fit we then correct (widen) the standard errors for all parameters using the proposed correction method. The simulation studies indicate that the methods described here are an important contribution to the available tools for dealing with shared measurement errors in complex risk analysis.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Pore-scale simulation of microbial growth using a genome-scale metabolic model: Implications for Darcy-scale reactive transport

Recent advances in microbiology have enabled the quantitative simulation of microbial metabolism and growth based on genome-scale characterization of metabolic pathways and fluxes. We have incorporated a genome-scale metabolic model of the iron-reducing bacteria Geobacter sulfurreducens into a pore-scale simulation of microbial growth based on coupling of iron reduction to oxidation of a soluble electron donor (acetate). In our model, fluid flow and solute transport is governed by a combination of the Navier-Stokes and advection-diffusion-reaction equations. Microbial growth occurs only on the surface of soil grains where solid-phase mineral iron oxides are available. Mass fluxes of chemical species associated with microbial growth are described by the genome-scale microbial model, implemented using a constraint-based metabolic model, and provide the Robin-type boundary condition for the advection-diffusion equation at soil grain surfaces. Conventional models of microbially-mediated subsurface reactions use a lumped reaction model that does not consider individual microbial reaction pathways, and describe reactions rates using empirically-derived rate formulations such as the Monod-type kinetics. We have used our pore-scale model to explore the relationship between genome-scale metabolic models and Monod-type formulations, and to assess the manifestation of pore-scale variability (microenvironments) in terms of apparent Darcy-scale microbial reaction rates. The genome-scale model predicted lower biomass yield, and different stoichiometry for iron consumption, in comparisonto prior Monod formulations based on energetics considerations. We were able to fit an equivalent Monod model, by modifying the reaction stoichiometry and biomass yield coefficient, that could effectively match results of the genome-scale simulation of microbial behaviors under excess nutrient conditions, but predictions of the fitted Monod model deviated from those of the genome-scale model under conditions in which one or more nutrients were limiting. The fitted Monod kinetic model was also applied at the Darcy scale; that is, to simulate average reaction processes at the scale of the entire pore-scale model domain. As we expected, even under excess nutrient conditions for which the Monod and genome-scale models predicted equal reaction rates at the pore scale, the Monod model over-predicted the rates of biomass growth and iron and acetate utilization when applied at the Darcy scale. This discrepancy is caused by an inherent assumption of perfect mixing over the Darcy-scale domain, which is clearly violated in the pore-scale models. These results help to explain the need to modify the flux constraint parameters in order to match observations in previous applications of the genome-scale model at larger scales. These results also motivate further investigation of quantitative multi-scale relationships between fundamental behavior at the pore scale (where genome-scale models are appropriately applied) and observed behavior at larger scales (where predictions of reactive transport phenomena are needed).

bioremediation↗
DOE OSTI2023

Adjoint Waveform Tomography for Crustal and Upper Mantle Structure the Middle East and Southwest Asia for Improved Waveform Simulations Using Openly Available Broadband Data

We present a new model of radially anisotropic seismic wavespeeds for the crust and upper mantle of a broad region of the Middle East and Southwest Asia (MESWA) derived from adjoint waveform tomography. We inverted waveforms from 192 Global Centroid Moment Tensor earthquakes (MW 5.5-7.0) recorded by over 1000 openly available broadband seismic stations from permanent and temporary networks in the region. Spatial coverage of the available data is highly uneven due to earthquakes clustered along plate boundaries and sparse coverage of open seismic networks in the region. We considered three possible starting models: the SPiRaL global model (Simmons et al., 2021); MEC-1 (Kaviani et al., 2020); and CSEM2.0 (Noe et al., 2023). Because the SPiRaL model provides good fits to the observed waveforms measured by the time-bandwidth product of selected windows in several period bands, provides all the necessary parameters and covers the entire domain we used it for the starting model with the period band 50-100 seconds. Inversion iterations proceeded using time-frequency phase misfits in six stages and 54 total iterations reducing the minimum period to 30 seconds. Our final model, MESWA, provides improved waveform fits compared to the starting model for both the data used in the inversion and an independent validation data set of 66 events. Two metrics of waveform fit (the time-frequency phase misfit used in the optimization and normalized L2 misfit) were both reduced by nearly 60% for both data sets and MESWA provides significantly larger misfit reductions relative to the SPiRaL model than the MEC-1 or CSEM models. We also find that MESWA provides a larger time-bandwidth product of selected windows indicating that more information content of the observed waveforms is explained by MESWA than the other models. Our new model reveals tectonic features imaged by other studies and methods but in a new holistic model of shear and compressional wavespeeds (v S and v P , respectively) with anisotropy covering the crust and uppermost mantle of a larger domain. MESWA has smaller scale-length features and tends to sharpen some features relative to the SPiRaL starting model. Examples include: low crustal v S in the TurkishIranian Plateau, Zagros Mountains, Afghan Central Blocks and Sulaiman Fold Belt; low mantle vSfollowing divergent (Gulf of Aden, Red Sea) and transform (Dead Sea Fault) margins of the Arabian Plate; low and high v S in the mantle beneath the Arabian Shield and Platform, respectively. Low vS is imaged below Cenozoic volcanic centers of the Arabian Peninsula, the so-called Mecca-Madina-Nafud (MMN) Line. Positive anisotropy (v SH > v SV ) is inferred for asthenospheric depths across the region except where up/downwelling may influence fabric alignment (e.g. Afar, Red Sea, Arabian Shield). Elevated vS tracks Makran subduction under southeast Iran. MESWA resembles the SPiRaL model in its long-wavelength structure, but enhances shorter wavelengths features on the order of 200 km and smaller. The resulting model could be used for as a starting model for further improvements, say using waveforms from in-country seismic networks that are not openly available or smaller-scale studies targeting shorter period waveforms. The model also could be used for source characterization and moment tensor inversion to improve earthquake hazard studies and nuclear explosion monitoring.

58 GEOSCIENCES↗
DOE OSTI2014

Compositional Models of Glass/Melt Properties and their Use for Glass Formulation

Nuclear waste glasses must simultaneously meet a number of criteria related to their processability, product quality, and cost factors. The properties that must be controlled in glass formulation and waste vitrification plant operation tend to vary smoothly with composition allowing for glass property-composition models to be developed and used. Models have been fit to the key glass properties. The properties are transformed so that simple functions of composition (e.g., linear, polynomial, or component ratios) can be used as model forms. The model forms are fit to experimental data designed statistically to efficiently cover the composition space of interest. Examples of these models are found in literature. The glass property-composition models, their uncertainty definitions, property constraints, and optimality criteria are combined to formulate optimal glass compositions, control composition in vitrification plants, and to qualify waste glasses for disposal. An overview of current glass property-composition modeling techniques is summarized in this paper along with an example of how those models are applied to glass formulation and product qualification at the planned Hanford high-level waste vitrification plant.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Oxygen Defect Configurations in Single-Phase UO 2.15

Hyperstoichiometric UO 2.15 was characterized by neutron total scattering at high temperature in the single-phase UO 2+x region of the U/O phase diagram. The diffraction data confirmed a single-phase fluorite structure at high temperature. Analysis of the short-range data showed that the same structural model does not fit the pair distribution functions well. Instead, structural models containing specific configurations of oxygen defect clusters best represent the local atomic arrangement. In conclusion, prevalent defect clusters previously proposed were fit to the experimental data, and moderately distorted oxygen cuboctahedra hypothesized by recent molecular dynamics simulations fit the data most accurately.

neutron pair-distribution function analysis↗
DOE OSTI2012

Wildfire Risk Mapping over the State of Mississippi: Land Surface Modeling Approach

Three fire risk indexes based on soil moisture estimates were applied to simulate wildfire probability over the southern part of Mississippi using the logistic regression approach. The fire indexes were retrieved from: (1) accumulated difference between daily precipitation and potential evapotranspiration (P-E); (2) top 10 cm soil moisture content simulated by the Mosaic land surface model; and (3) the Keetch-Byram drought index (KBDI). The P-E, KBDI, and soil moisture based indexes were estimated from gridded atmospheric and Mosaic-simulated soil moisture data available from the North American Land Data Assimilation System (NLDAS-2). Normalized deviations of these indexes from the 31-year mean (1980-2010) were fitted into the logistic regression model describing probability of wildfires occurrence as a function of the fire index. It was assumed that such normalization provides more robust and adequate description of temporal dynamics of soil moisture anomalies than the original (not normalized) set of indexes. The logistic model parameters were evaluated for 0.25 x0.25 latitude/longitude cells and for probability representing at least one fire event occurred during 5 consecutive days. A 23-year (1986-2008) forest fires record was used. Two periods were selected and examined (January mid June and mid September December). The application of the logistic model provides an overall good agreement between empirical/observed and model-fitted fire probabilities over the study area during both seasons. The fire risk indexes based on the top 10 cm soil moisture and KBDI have the largest impact on the wildfire odds (increasing it by almost 2 times in response to each unit change of the corresponding fire risk index during January mid June period and by nearly 1.5 times during mid September-December) observed over 0.25 x0.25 cells located along the state of Mississippi Coast line. This result suggests a rather strong control of fire risk indexes on fire occurrence probability over this region.

forest fire risk↗
DOE OSTI2016

Constraining white dwarf structure and neutrino physics in 47 Tucanae

We present a robust statistical analysis of the white dwarf cooling sequence in 47 Tucanae. We combine Hubble Space Telescope UV and optical data in the core of the cluster, Modules for Experiments in Stellar Evolution (MESA) white dwarf cooling models, white dwarf atmosphere models, artificial star tests, and a Markov Chain Monte Carlo sampling method to fit white dwarf cooling models to our data directly. We use a technique known as the unbinned maximum likelihood to fit these models to our data without binning. We use these data to constrain neutrino production and the thickness of the hydrogen layer in these white dwarfs. The data prefer thicker hydrogen layers (q{sub H}=3.2×10{sup −5}) and we can strongly rule out thin layers (q{sub H}=10{sup −6}). The neutrino rates currently in the models are consistent with the data. This analysis does not provide a constraint on the number of neutrino species.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Toward shell model interactions with credible uncertainties

Background: The nuclear shell model is a powerful framework for predicting nuclear structure observables, but relies on interaction matrix elements fit to experimental data as its inputs. Extending the shell model's applicability, particularly toward dripline nuclei, requires efficient fitting methods and credible uncertainty quantification. Traditional approaches face computational challenges and may underestimate uncertainties. Purpose: We develop and test a framework combining eigenvector continuation and Markov chain Monte Carlo to efficiently fit shell model interaction matrix elements and quantify their uncertainties. Methods: Eigenvector continuation is used to emulate shell model calculations, reducing computational costs. The emulator enables Markov chain Monte Carlo sampling to optimize interaction matrix elements and rigorously assess parametric uncertainties. Here, the framework is benchmarked using the USDB interaction in the 𝑠⁢𝑑 shell. Results: The emulator reproduces the USDB interaction with negligible error, validating its use in shell model fitting applications. However, we find that to obtain credible predictive intervals, the model defect of the shell model itself, rather than experimental or emulator error, must be taken into account in order to obtain credible uncertainties. Conclusions: The proposed framework provides an efficient and rigorous approach for fitting shell model interactions and quantifying uncertainties. Further, the normality assumption used in the past appears sufficient to describe the distribution of interaction matrix elements. However, it is crucial to account for model correlations to avoid underestimating uncertainties.

Nuclear forces↗
DOE OSTI2012

ORBITS, MASSES, AND EVOLUTION OF MAIN BELT TRIPLE (87) SYLVIA

Sylvia is a triple asteroid system located in the main belt. We report new adaptive optics observations of this system that extend the baseline of existing astrometric observations to a decade. We present the first fully dynamical three-body model for this system by fitting to all available astrometric measurements. This model simultaneously fits for individual masses, orbits, and primary oblateness. We find that Sylvia is composed of a dominant central mass surrounded by two satellites orbiting at 706.5 {+-} 2.5 km and 1357 {+-} 4.0 km, i.e., about 5 and nearly 10 primary radii. We derive individual masses of 1.484{sup +0.016}{sub -0.014} Multiplication-Sign 10{sup 19} kg for the primary (corresponding to a density of 1.29 {+-} 0.39 g cm{sup -3}), 7.33{sup +4.7}{sub -2.3} Multiplication-Sign 10{sup 14} kg for the inner satellite, and 9.32{sup +20.7}{sub -8.3} Multiplication-Sign 10{sup 14} kg for the outer satellite. The oblateness of the primary induces substantial precession and the J{sub 2} value can be constrained to the range of 0.0985-0.1. The orbits of the satellites are relatively circular with eccentricities less than 0.04. The spin axis of the primary body and the orbital poles of both satellites are all aligned within about 2 deg of each other, indicating a nearly coplanar configuration and suggestive of satellite formation in or near the equatorial plane of the primary. We also investigate the past orbital evolution of the system by simulating the effects of a recent passage through 3:1 mean-motion eccentricity-type resonances. In some scenarios this allow us to place constraints on interior structure and past eccentricities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Experimental Electron Density Distribution in Actinide Compounds – an Experimental Atoms in Molecules (AIM) Approach

Understanding the basic chemistry of the actinides, in particular of uranium, is essential to address issues related to nuclear fuels, nuclear waste and environmental concerns. Atoms in general are chemically bound to their neighbors via the distribution of electrons within the intervening space. However, this only represents a small proportion of the total electrons, the others are tightly bound to the atomic nuclei and do not participate in chemical bonding. The distribution of electrons in crystalline materials may be examined using the scattering of X-rays. As all electrons scatter X-rays, obtaining the information about the bonding electrons in the presence of a large excess of “irrelevant” electrons requires extremely accurate scattering measurements. Indeed, until recently this was considered impossible for elements as heavy as uranium. In our current project we have made significant improvements in the data quality obtainable for uranium containing compounds. In order to determine the electron density distribution we fit a mathematical model describing the scattering effect to the observed scattering data. This mathematical model has a number of variable parameters that describe the radial and angular distribution of electrons around an atomic center. We have developed such a model to be particularly useful for elements as heavy as uranium. Given the best fit parameters from this model, we are able to map the electron distribution around all atoms in a chemical compound. The topology of this distribution provides us with important characteristics with regard to the chemical bonds. We have now applied these methods to several uranium compounds. In particular we have studied the bonds made by uranium to oxygen, fluorine and chlorine in a number of different environments. The experimental protocols and data analysis protocols developed during this project will permit others in the field to explore the chemical bonding of other heavy element systems. From the few compounds studied to date, we are already discovering the parameters that are characteristic of bonding in such systems, and providing essential experimental benchmarks for theoreticians.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Cryo_fit : Democratization of flexible fitting for cryo-EM

Cryo-electron microscopy (cryo-EM) is becoming a method of choice for describing native conformations of biomolecular complexes at high resolution. The rapid growth of cryo-EM in recent years has created a high demand for automated solutions, both in hardware and software. Flexible fitting of atomic models to three-dimensional (3D) cryo-EM reconstructions by molecular dynamics (MD) simulation is a popular technique but often requires technical expertise in computer simulation. This work introduces cryo_fit, a package for the automatic flexible fitting of atomic models in cryo-EM maps using MD simulation. Additionally, the package is integrated with the Phenix software suite. The module was designed to automate the multiple steps of MD simulation in a reproducible manner, as well as facilitate refinement and validation through Phenix. Through the use of cryo_fit, scientists with little experience in MD simulation can produce high quality atomic models automatically and better exploit the potential of cryo-EM.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

EXCESS MID-INFRARED FLUX: AN INDICATOR OF MASS LOSS IN CEPHEIDS?

Spectral energy distributions for 132 classical and type II Cepheids were searched for evidence of excess flux above the photospheric level in the mid-infrared. Eight of them were found to have unambiguously strong excess emission while a further 13 showed evidence of weak emission. The presence of emission appears to be unrelated to either the pulsational amplitude or the effective temperature while strong emission is limited to stars with periods longer than 11 days, with a single exception. For the stars with strong emission we attempted to fit the energy distribution with a stellar wind model. No acceptable fit could be found for silicate grains. With graphite or iron grains we could only obtain an acceptable fit if the maximum dust temperature was significantly lower than the condensation temperature. We conclude that the excess emission is not evidence of mass loss.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Synthesis of a novel multifunctional organic–inorganic nanocomposite for metal ions and organic dye removals

In this study, we used solvent assisted mechano-synthesis strategies to form multifunctional organic–inorganic nanocomposites capable of removing both organic and inorganic contaminants. A zeolite X (Ze) and activated carbon (AC) composite was synthesized via state-of-the-art mechanical mixing in the presence of few drops of water to form Ze/AC. The second composite (Ze/L/AC) was synthesized in a similar fashion, however this composite had the addition of disodium terephthalate as a linker. Both materials, Ze/AC and Ze/L/AC, were characterized using scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy (EDS), Powdered X-ray diffraction (P-XRD), Fourier-transform infrared spectrometry (FTIR), Accelerated Surface Area and Porosimetry System (ASAP), and thermal gravimetric analysis (TGA). The SEM–EDS displayed the surface structure and composition of each material. The sodium, oxygen and carbon contents increased after linker connected Ze and AC. The P-XRD confirmed the crystallinity of each material as well as the composites, while FTIR indicated the function groups (C=C, O–H) in Ze/L/AC. The contaminant adsorption experiments investigated the effects of pH, temperature, and ionic strength on the adsorption of methylene blue (MB) and Co(II) for each material. In MB adsorption, the first-order reaction rate of Ze/L/AC (0.02 h -1 ) was double that of Ze/AC (0.01 h -1 ). The reaction rate of Ze/L/AC (4.8 h -1 ) was also extraordinarily higher than that of Ze/AC (0.6 h -1 ) in the adsorption of Co(II). Ze/L/AC composite achieved a maximum adsorption capacity of 44.8 mg/g for MB and 66.6 mg/g for Co(II) ions. The MB adsorption of Ze/AC and Ze/L/AC was best fit in Freundlich model with R 2 of 0.96 and 0.97, respectively, which indicated the multilayer adsorption. In the Co(II) adsorption, the data was highly fit in Langmuir model with R 2 of 0.94 and 0.92 which indicated the monolayer adsorption. These results indicated both materials exhibited chemisorption. The activation energy of Ze/L/AC in MB adsorption (34.9 kJ mol -1 ) was higher than that of Ze/L/AC in Co (II) adsorption (26 kJ mol -1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Networked HIL Simulation System for Modeling Large-scale Power Systems

This paper presents a networked hardware-in-the-loop (HIL) simulation system for modeling large-scale power systems. Researchers have developed many HIL test systems for power systems in recent years. Those test systems can model both microsecond-level dynamic responses of power electronic systems and millisecond-level transients of transmission and distribution grids. By integrating individual HIL test systems into a network of HIL test systems, we can create large-scale power grid digital twins with flexible structures at required modeling resolution that fits for a wide range of system operating conditions. This will not only significantly reduce the need for field tests when developing new technologies but also greatly shorten the model development cycle. In this paper, we present a networked OPAL-RT based HIL test system for developing transmission-distribution coordinative Volt-VAr regulation technologies as an example to illustrate system setups, communication requirements among different HIL simulation systems, and system connection mechanisms. Impacts of communication delays, information exchange cycles, and computing delays are illustrated. Simulation results show that the performance of a networked HIL test system is satisfactory.

Xie, Fuhong↗