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At least 1,531 records · Page 85

Iron oxide nanoparticles: the Influence of synthesis method and size on composition and magnetic properties

Iron oxide nanoparticles with mean diameter ranging from 7 to 20 nm were synthesized using two routes: the precipitation method in controlled atmosphere and a reduction–precipitation method under air, in some cases followed by a hydrothermal treatment. The smallest nanoparticles were obtained by the reduction–precipitation method. In order to establish the composition of the iron oxide nanoparticles and its relation with size, the morphological, structural and magnetic properties of the prepared samples were investigated using X-ray diffraction, transmission electron microscopy, Mössbauer spectroscopy and SQUID magnetometry. The results allow to conclude that the nanoparticles can be essentially described as Fe 3–x O₄, x decreasing with the particle size increase. The composition and magnetic behavior of the synthesized iron oxide nanoparticles are directly related with their size. The overall results are compatible with a core@shell structure model, where a magnetite core is surrounded by an oxidized magnetite layer (labeled as maghemite), the magnetite core dimension depending on the average particle size. - Graphical abstract: TEM images and Mössbauer spectroscopy spectra of Fe 3–x O₄ samples with different sizes. Highlights: • Fe 3–x O₄ nanoparticles with a mean size between 7 and 20 nm were synthesized. • The smallest nanoparticles were obtained by a reduction precipitation method, under air. • The increase of particles size was succeeded using a hydrothermal treatment at 150 °C. • The magnetic properties of the nanoparticles are directly related with their size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sampling Approaches for Multi-Domain Internet Performance Measurement Infrastructures

The next-generation of high-performance networks being developed in DOE communities are critical for supporting current and emerging data-intensive science applications. The goal of this project is to investigate multi-domain network status sampling techniques and tools to measure/analyze performance, and thereby provide “network awareness” to end-users and network operators in DOE communities. We leverage the infrastructure and datasets available through perfSONAR, which is a multi-domain measurement framework that has been widely deployed in high-performance computing and networking communities; the DOE community is a core developer and the largest adopter of perfSONAR. Our investigations include development of semantic scheduling algorithms, measurement federation policies, and tools to sample multi-domain and multi-layer network status within perfSONAR deployments. We validate our algorithms and policies with end-to-end measurement analysis tools for various monitoring objectives such as network weather forecasting, anomaly detection, and fault-diagnosis. In addition, we develop a multi-domain architecture for an enterprise-specific perfSONAR deployment that can implement monitoring-objective based sampling and that adheres to any domain-specific measurement policies.

97 MATHEMATICS AND COMPUTING↗

Magnetic properties of two-dimensional nanodots: Ground state and phase transition

We study the effect of perpendicular single-ion anisotropy, −As{sub z}{sup 2}, on the ground-state structure and finite-temperature properties of a two-dimensional magnetic nanodot in presence of a dipolar interaction of strength D. By a simulated annealing Monte Carlo method, we show that in the ground state a vortex core perpendicular to the nanodot plane emerges already in the range of moderate anisotropy values above a certain threshold level. In the giant-anisotropy regime the vortex structure is superseded by a stripe domain structure with stripes of alternate domains perpendicular to the surface of the sample. We have also observed an intermediate stage between the vortex and stripe structures, with satellite regions of tilted nonzero perpendicular magnetization around the core. At finite temperatures, at small A, we show by Monte Carlo simulations that there is a transition from the the in-plane vortex phase to the disordered phase characterized by a peak in the specific heat and the vanishing vortex order parameter. At stronger A, we observe a discontinuous transition with a large latent heat from the in-plane vortex phase to perpendicular stripe ordering phase before a total disordering at higher temperatures. In the regime of perpendicular stripe domains, namely with giant A, there is no phase transition at finite T: the stripe domains are progressively disordered with increasing T. Finite-size effects are shown and discussed.

36 MATERIALS SCIENCE↗

Assembly and seasonality of core phyllosphere microbiota on perennial biofuel crops

Abstract Perennial grasses are promising feedstocks for biofuel production, with potential for leveraging their native microbiomes to increase their productivity and resilience to environmental stress. Here, we characterize the 16S rRNA gene diversity and seasonal assembly of bacterial and archaeal microbiomes of two perennial cellulosic feedstocks, switchgrass ( Panicum virgatum L.) and miscanthus ( Miscanthus x giganteus ). We sample leaves and soil every three weeks from pre-emergence through senescence for two consecutive switchgrass growing seasons and one miscanthus season, and identify core leaf taxa based on occupancy. Virtually all leaf taxa are also detected in soil; source-sink modeling shows non-random, ecological filtering by the leaf, suggesting that soil is an important reservoir of phyllosphere diversity. Core leaf taxa include early, mid, and late season groups that were consistent across years and crops. This consistency in leaf microbiome dynamics and core members is promising for microbiome manipulation or management to support crop production.

09 BIOMASS FUELS↗

Radio observations of a sample of broad-line type Ic supernovae discovered by PTF/IPTF: a search for relativistic explosions

Long duration γ-ray bursts are a rare subclass of stripped-envelope core-collapse supernovae (SNe) that launch collimated relativistic outflows (jets). All γ-ray-burst-associated SNe are spectroscopically Type Ic, with broad-lines, but the fraction of broad-lined SNe Ic harboring low-luminosity γ-ray bursts remains largely unconstrained. Some SNe should be accompanied by off-axis γ-ray burst jets that initially remain invisible, but then emerge as strong radio sources (as the jets decelerate). However, this critical prediction of the jet model for γ-ray bursts has yet to be verified observationally. Here, we present K. G. Jansky Very Large Array observations of 15 broad-lined SNe of Type Ic discovered by the Palomar Transient Factory in an untargeted manner. Most of the SNe in our sample exclude radio emission observationally similar to that of the radio-loud, relativistic SN 1998bw. We constrain the fraction of 1998bw-like broad-lined SNe Ic to be ≲41% (99.865% confidence). Most of the events in our sample also exclude off-axis jets similar to GRB 031203 and GRB 030329, but we cannot rule out off-axis γ-ray bursts expanding in a low-density wind environment. Three SNe in our sample are detected in the radio. PTF11qcj and PTF14dby show late-time radio emission with average ejecta speeds of ≈0.3–0.4 c, on the dividing line between relativistic and “ordinary” SNe. The speed of PTF11cmh radio ejecta is poorly constrained. We estimate that ≲85% (99.865% confidence) of the broad-lined SNe Ic in our sample may harbor off-axis γ-ray bursts expanding in media with densities in the range probed by this study.

79 ASTRONOMY AND ASTROPHYSICS↗

The NaK Population: A 2019 Status

The statistical debris measurement campaigns conducted by the Haystack Ultrawideband Satellite Imaging Radar (HUSIR) on behalf of the NASA Orbital Debris Program Office are used to characterize the long-term behavior of the small, low Earth orbit (LEO) orbital debris environment. A long-recognized, unique component of the LEO environment is composed of small Sodium-Potassium (NaK) eutectic nuclear reactor coolant droplets associated with the Soviet Radar Ocean Reconnaissance Satellite (RORSAT) program. Beginning with the flight of Cosmos 1176, RORSAT vehicles would nominally separate their reactor core at end of mission, thereby venting the NaK coolant and producing the NaK droplet population. In this paper, we describe the methodology by which NaK are segregated from the statistically sampled general debris population and their sizes inferred; the current NaK environment; how it has changed over time; and a potential new source of NaK: RORSAT vehicles that did not separate their reactor core by either design or apparent malfunction.

Matney, Mark↗

IAEA Coordinated Research Project on HTGR Physics, Thermal Hydraulics, and Depletion Uncertainty Analysis: PHISICS/RELAP5-3D Results for the Phase III Coupled Core Exercises

This report details the Parallel and Highly Innovative Simulation for INL Code System (PHISICS)/Reactor Excursions and Leak Analysis Program (RELAP5)-3D results obtained for the neutronics stand-alone core exercises defined for Phase II of the International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on high-temperature gas cooled reactor (HTGR) uncertainty analysis in modeling (UAM). The Phase II models and results are linked to the earlier Standardized Computer Analyses for Licensing Evaluation (SCALE)/Sampler/New ESC-based Weighting Transport (NEWT) data generated for the lattice physics (lattice) stage Phase I of the CRP. The focus of this report is the propagation of cross-section uncertainties from the lattice to the core calculation (core) phase of the prismatic 350 megawatt (MW) General Atomics (GA) Modular HTGR (MHTGR). The Phase II neutronics exercises consist of two sub-cases (II-2a and II-2b) specified for the fresh and mixed core loading of the MHTGR-350 prismatic high-temperature reactor design. Exercises II-2a and II-2b are performed without temperature feedback using isothermal temperature profiles. For the nominal lattice physics (i.e., best-estimate) model, a series of fresh and depleted single block and super cell SCALE/KENO and SCALE/NEWT models were developed at Idaho National Laboratory (INL) to assess the impact of spectral effects on the few-group cross sections. A combination of these lattice cells were used in a super cell calculation to construct 8-group cross-section libraries for use in the INL-developed PHISICS/RELAP5-3D code suite. The block-level homogenized libraries were assigned to the 220 fuel zones utilized in the MHTGR-350 PHISICS core model, according to the fresh and mixed fresh/depleted core loading pattern. In order to evaluate the effect of uncertainty propagation, several sets consisting of 1,000 perturbed NEWT lattice and PHISICS/RELAP5-3D core calculations were performed using the SCALE 6.2 ENDF/B-VII.1 cross-section co-variance data and the stochastic sampling module Sampler in SCALE 6.2.0. The Figures of Merit (FOM) investigated include the mean and standard deviation uncertainty values obtained for the eigenvalues, control rod worth values, block-averaged power profiles, power axial offsets, and isothermal temperature feedback coefficients. A sensitivity study on the main nuclide reaction contributors to the FOM uncertainties has not yet been performed since the SCALE/PHISICS/RAVEN coupling with ENDF/B-VII co-variance data is still being developed. It was found that uncertainties in the cross sections lead to uncertainties in the local power values of up to 1.5%. The variances between the fresh and mixed/depleted core models are not as large as the axial variations between the top and bottom within each core model. The core eigenvalue uncertainty is approximately 0.5%, which is significant in comparison to typical eigenvalue difference targets (less than ~0.1% for LWRs). The power peaking and axial offset uncertainties are smaller (0.10% – 0.15%) and probably below the level of significance in typical core design metrics. The use of an 8-group energy structure slightly under-estimates some of the uncertainties, but in absolute terms, the uncertainty results are reasonably close to the 26-group results. The 26- and 8-group mean and nominal results differ by a larger degree, and if it can be afforded in terms of calculation resources, the 26-group structure should be used for HTGR calculations. The 8-group structure can, however, still be useful for reasonably accurate uncertainty assessments of transient cases where computational time is important. It was furthermore found that the use of a super cell during the cross-section generation process for better representation of the spectral environment at the core periphery did not lead to significant changes in the core eigenvalues, axial offset, and power peaking uncertainties. The impact of the super cell cross sections on the nominal and mean eigenvalues is, however, important enough (0.6% – 1.1% lower) to justify the use of these super cells for HTGR core simulation to represent the softer spectral environment in the core peripheral regions for nominal best-estimate calculations. The use of super cells for HTGR uncertainty studies is, therefore, not strictly necessary, but the improvements in nominal results could justify their use.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Predicting Effective Diffusion Coefficients in Mudrocks Using a Fractal Model and Small-Angle Neutron Scattering Measurements

The determination of effective diffusion coefficients of gases or solutes in the water–saturated pore space of mudrocks is time consuming and technically challenging. Yet, reliable values of effective diffusion coefficients are important to predict migration of hydrocarbon gases in unconventional reservoirs, dissipation of (explosive) gases through clay barriers in radioactive waste repositories, mineral alteration of seals to geological CO 2 storage reservoirs and contaminant migration through aquitards. In this study, small angle and very small angle neutron scattering techniques have been utilized to determine a range of transport properties in mudrocks, including porosity, pore size distributions and surface and volume fractal dimensions of pores and grains, from which diffusive transport parameters can be estimated. Using a fractal model derived from Archie's Law, we calculate effective diffusion coefficients from these parameters and compare them to laboratory–derived effective diffusion coefficients for CO 2 , H 2 , CH 4 and HTO on either the same or related mudrock samples. The samples include Opalinus Shale from the underground laboratory in Mont Terri, Switzerland; Boom Clay from a core drilled in Mol, Belgium and a marine claystone cored in Utah, USA. The predicted values were compared to laboratory diffusion measurements. The measured and modeled diffusion coefficients show good agreement, differing generally by less than factor 5. Furthermore, neutron or X–ray scattering analysis is therefore proposed as a novel method for fast, accurate estimation of effective diffusion coefficients in mudrocks, together with simultaneous measurement of multiple transport parameters including porosity, pore size distributions and surface areas, important for (reactive) transport modelling.

58 GEOSCIENCES↗

A versatile photoelectron spectrometer for pressures up to 30 mbar

High-pressure photoelectron spectroscopy is a rapidly developing technique with applications in a wide range of fields ranging from fundamental surface science and catalysis to energy materials, environmental science, and biology. At present the majority of the high-pressure photoelectron spectrometers are situated at synchrotron end stations, but recently a small number of laboratory-based setups have also emerged. In this paper we discuss the design and performance of a new laboratory based high pressure photoelectron spectrometer equipped with an Al Kα X-ray anode and a hemispherical electron energy analyzer combined with a differentially pumped electrostatic lens. The instrument is demonstrated to be capable of measuring core level spectra at pressures up to 30 mbar. Moreover, valence band spectra of a silver sample as well as a carbon-coated surface (graphene) recorded under a 2 mbar nitrogen atmosphere are presented, demonstrating the versatility of this laboratory-based spectrometer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The rate of core collapse supernovae to redshift 2.5 FROM THE candels and clash supernova surveys

The Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey and Cluster Lensing And Supernova survey with Hubble multi-cycle treasury programs with the Hubble Space Telescope (HST) have provided new opportunities to probe the rate of core-collapse supernovae (CCSNe) at high redshift, now extending to z≈2.5. Here we use a sample of approximately 44 CCSNe to determine volumetric rates, R{sub CC}, in six redshift bins in the range 0.1 95% confidence) with SFRs from IR luminous galaxies, or with SFR models that include simple evolution in the initial mass function over time. This scaling factor is expected if the fraction of the IMF contributing to CCSN progenitors is in the 8–50 M{sub ⊙} range. It is not supportive, however, of an upper mass limit for progenitors at <20 M{sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗

Examining the self-interaction of dark matter through central cluster galaxy offsets

ABSTRACT While collisionless cold dark matter models have been largely successful in explaining a wide range of observational data, some tensions still exist, and it remains possible that dark matter possesses a non-negligible level of self-interactions. In this paper, we investigate a possible observable consequence of self-interacting dark matter: offsets between the central galaxy and the centre of mass of its parent halo. We examine 23 relaxed galaxy clusters in a redshift range of 0.1–0.3 drawn from clusters in the Dark Energy Survey and the Sloan Digital Sky Survey which have archival Chandra X-ray data of sufficient depth for centre and relaxation determination. We find that most clusters in our sample show non-zero offsets between the X-ray centre, taken to be the centroid within the cluster core, and the central galaxy position. All of the measured offsets are larger, typically by an order of magnitude, than the uncertainty in the X-ray position due to Poisson noise. In all but six clusters, the measured offsets are also larger than the estimated, combined astrometric uncertainties in the X-ray and optical positions. A more conservative cut on concentration to select relaxed clusters marginally reduces but does not eliminate the observed offset. With our more conservative sample, we find an estimated median X-ray to central galaxy offset of $\mu = 6.0 ^{+ 1.4}_{- 1.5}$ kpc. Comparing to recent simulations, this distribution of offsets is consistent with some level of dark matter self-interaction, though further simulation work is needed to place constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

Speciation Underpinned by Unexpected Molecular Diversity in the Mycorrhizal Fungal Genus Pisolithus

The mutualistic ectomycorrhizal (ECM) fungal genus Pisolithus comprises 19 species defined to date which colonize the roots of >50 hosts worldwide suggesting that substantial genomic and functional evolution occurred during speciation. To better understand this intra-genus variation, we undertook a comparative multi-omic study of nine Pisolithus species sampled from North America, South America, Asia, and Australasia. We found that there was a small core set of genes common to all species (13%), and that these genes were more likely to be significantly regulated during symbiosis with a host than accessory or species-specific genes. Thus, the genetic “toolbox” foundational to the symbiotic lifestyle in this genus is small. Transposable elements were located significantly closer to gene classes including effector-like small secreted proteins (SSPs). Poorly conserved SSPs were more likely to be induced by symbiosis, suggesting that they may be a class of protein that tune host specificity. The Pisolithus gene repertoire is characterized by divergent CAZyme profiles when compared with other fungi, both symbiotic and saprotrophic. This was driven by differences in enzymes associated with symbiotic sugar processing, although metabolomic analysis suggest that neither copy number nor expression of these genes is sufficient to predict sugar capture from a host plant or its metabolism in fungal hyphae. Our results demonstrate that intra-genus genomic and functional diversity within ECM fungi is greater than previously thought, underlining the importance of continued comparative studies within the fungal tree of life to refine our focus on pathways and evolutionary processes foundational to this symbiotic lifestyle.

59 BASIC BIOLOGICAL SCIENCES↗

Final Search for Short-Baseline Neutrino Oscillations with the PROSPECT-I Detector at HFIR

The PROSPECT experiment is designed to perform precise searches for antineutrino disappearance at short distances (7–9 m) from compact nuclear reactor cores. This Letter reports results from a new neutrino oscillation analysis performed using the complete data sample from the PROSPECT-I detector operated at the High Flux Isotope Reactor in 2018. The analysis uses a multiperiod selection of inverse beta decay neutrino interactions with reduced backgrounds and enhanced statistical power to set limits on electron neutrino disappearance caused by mixing with sterile neutrinos with 0.2–20 eV 2 mass splittings. Inverse beta decay positron energy spectra from six different reactor-detector distance ranges are found to be statistically consistent with one another, as would be expected in the absence of sterile neutrino oscillations. The data excludes at 95% confidence level the existence of sterile neutrinos in regions above 3 eV 2 previously unexplored by terrestrial experiments, including all space below 10 eV 2 suggested by the recently strengthened Gallium Anomaly. The best-fit point of the Neutrino-4 reactor experiment’s claimed observation of short-baseline oscillation is ruled out at more than 5 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Root-soil depth profile in Luquillo Experimental Forest, Puerto Rico, February, 2019

With an objective of associating the distribution of roots in the soil profile with functional attributes related to phosphorus nutrition, 1-m cores were collected from sites in the Luquillo Experimental Forest, Puerto Rico, in February, 2019. The sampled sites were ridge and valley locations at El Verde and Icacos with soils that differ in parent material and phosphorus fertility. Depth profiles of soil physical characteristics (bulk density, moisture content, and particle size distribution), phosphorus content (total phosphorus, organic phosphorus, and resin or available phosphorus), soil and root-associated phosphatase activity, and fine-root traits (biomass, specific root length and area, and phosphorus content) were determined.

54 ENVIRONMENTAL SCIENCES↗

In-situ crystal structure determination of seifertite SiO 2 at 129 GPa: Studying a minor phase near Earth’s core–mantle boundary

Seifertite SiO₂ likely exists as a minor phase near the core–mantle boundary. By simulating the pressure and temperature conditions near the core–mantle boundary, seifertite was synthesized as a minor phase in a coarse-grained, polycrystalline sample coexisting with the (Mg,Fe)SiO₃ post-perovskite (pPv) phase at 129 GPa and 2500 K. Here we report the first in situ single-crystal structure determination and refinement of seifertite at high pressure and after a temperature quench from laser heating. We improved the data coverage of a minor phase from a diamond-anvil cell (DAC) by merging single-crystal data of seifertite from six selected grains that had different orientations. Observed systematic absences of reflections from the six individual grains allowed only one space group: Pbcn . The refined results of seifertite are in good agreement with the predictions from previous first-principles calculations at high pressure. This approach provides a method for structure determination of a minor phase in a mineral assemblage synthesized under P-T conditions representative of the deep Earth.

58 GEOSCIENCES↗

Enabling Explosives and Contraband Detection with Neutron Resonant Attenuation. Year 1 of 3 Summary

Material Identification by Resonant Attenuation is a technique that measures the energy-dependent attenuation of 1-10 MeV neutrons as they pass through a sample. Elemental information is determined from the neutron absorption resonances unique to each element. With sufficient energy resolution, these resonances can be used to categorize a wide range of materials, serving as a powerful discrimination technique between explosives, contraband, and other materials. Our proposed system is unique in that it simultaneously down-scatters and time tags neutrons in scintillator detectors oriented between a d-T generator and sample. This allows not only for energy measurements without pulsed neutron beams, but for sample interrogation over a large range of relevant energies, vastly improving scan times. Our system’s core advantage is a potential breakthrough ability to provide detection discrimination of threat materials by their elemental composition (e.g. water vs. hydrogen peroxide) without opening the container. However, several technical and computational challenges associated with this technique have yet to be addressed. There are several open questions: what is the sensitivity to different materials, what scan times are necessary, what are the sources of background, how do each of these scale as the detector system is made larger, and how can the system be integrated into existing scanning technology to close current detection gaps? In order to prove the applicability of this technology, we will develop a validated model to optimize the design and characterize the uncertainties in the measurement, and then test the system in a real-world scenario. This project seeks to perform R&D and laboratory tests that demonstrate proof of concept (TRL 3) to establishing an integrated system and evaluating its performance (TRL 4) through both laboratory tests and a validated detector model. The validated model will allow us to explore our technology’s benefits to explosive detection in various applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗