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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Evidence of long-distance dispersal of a gray wolf from the Chernobyl Exclusion Zone

The Chernobyl Exclusion Zone (CEZ) is a ~ 4300 km 2 area in Belarus and Ukraine that remains heavily contaminated with radiation from the nuclear accident of 1986. Long standing controversy persists on the fate of wildlife within the CEZ following human abandonment of the area. Human residency remains extremely sparse, and the CEZ has become a refuge for some populations of wildlife, including gray wolves (Canis lupus). Here, using GPS telemetry, we documented the first long-distance movements of a young (1-2 years) male wolf from the CEZ into the surrounding landscape. The wolf travelled 369 km from its home range center over a 21-day period in February 2015. In the 95 days prior to dispersal, the wolf maintained a home range of ~ 28 km 2 , with daily displacements rarely exceeding 5 km. With the onset of dispersal, daily displacement increased to a mean of 16.8 km. The dispersal of a young wolf is an important observation because it suggests that the CEZ may serve as a source for some wildlife populations outside of the CEZ, and raises questions about the potential spread of radiation-induced genetic mutations to populations in uncontaminated areas.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Dispersive X-ray absorption spectroscopy using independent grazing-incidence focusing and convexly bent Bragg-crystal dispersing optics

We present a modular instrument for dispersive X-ray absorption spectroscopy (DXAS) developed for the Advanced Spectroscopy Beamline at Sector 25 of the Advanced Photon Source. The setup employs a double-multilayer monochromator to provide X-rays with a broad energy bandwidth, Kirkpatrick–Baez mirrors for focusing, a convexly bent Bragg-crystal polychromator for energy dispersion, and a pixel-array detector to resolve all X-ray energies and collect their intensity simultaneously, thereby enabling acquisition of a full X-ray absorption spectrum in a single shot. The use of separate optics for X-ray focusing and energy dispersion provides high spatial resolution and avoids chromatic aberrations inherent in focusing bent-crystal optics, and a modular design makes implementation of the technique at other beamlines possible without requiring modifications to the upstream beamline configurations. Theoretical calculations are performed to determine optimal instrument operating parameters and demonstrate that an energy resolution better than the K-edge core-hole lifetime broadening can be maintained while providing a sufficient bandwidth for X-ray absorption near-edge structure spectroscopy through the full operating range of 5–11 keV. Additionally, instrument design, data analysis methods, and initial DXAS results on lithium–manganese–nickel oxide laminates are presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Single‐Particle Tracking for Understanding Polydisperse Nanoparticle Dispersions

Abstract Colloidal dispersions of nanomaterials are often polydisperse in size, significantly complicating their characterization. This is particularly true for materials early in their historical development due to synthetic control, dispersion efficiency, and instability during storage. Because a wide range of system properties and technological applications depend on particle dimensions, it remains an important problem in nanotechnology to identify a method for the routine characterization of polydispersity in nanoparticle samples, especially changes over time. Commonly employed methods such as dynamic light scattering or analytical ultracentrifugation (AUC) accurately estimate only the first moment of the distribution or are not routine. In this work, the use of single‐particle tracking (SPT) to probe size distributions of common nanoparticle dispersions, including polystyrene nanoparticles, single‐walled carbon nanotubes, graphene oxide, chitosan‐tripolyphosphate, acrylate, hexagonal boron nitride, and poly(lactic‐ co ‐glycolic acid), is proposed and explored. The analysis of particle tracks is conducted using a newly developed Bayesian algorithm that is called Maximum A posteriori Nanoparticle Tracking Analysis. By combining SPT and AUC techniques, it is shown that it is possible to independently estimate the mean aspect ratio of anisotropic particles, an important characterization property. It is concluded that SPT provides a facile, rapid analytical method for routine nanomaterials characterization.

Gong, Xun↗
DOE OSTI2020

Enhancement of high-temperature selectivity on Cu-SSZ-13 towards NH3-SCR reaction from highly dispersed ZrO2

ZrO2 is introduced as a secondary phase to Cu-SSZ-13 via different approaches and tested for the NH3-SCR reaction. It is shown that the vicinity between the two catalyst phases, i.e., ZrO2 dispersion, influences interaction between copper oxide (CuOx) on Cu-SSZ-13 and ZrO2. A strong interaction is achieved when ZrO2 is formed with high dispersion on Cu-SSZ-13, and leads to the chemical interaction of CuOx and ZrO2 in hydrothermally aged catalysts. The result is formation of a Cu-stabilized t-ZrO2 phase which greatly hinders the non-selective NH3 oxidation due to CuOx. With reduced ZrO2 dispersion and less Cu-SSZ-13 and ZrO2 interaction, the beneficial role of ZrO2 is diminished. This strategy of CuOx passivation is able to significantly enhance the high-temperature selectivity of the state-of-the-art NH3-SCR catalytic system while mitigating the adverse impact of CuOx clusters on the zeolite, potentially enabling higher Cu-content SCR catalysts and improved low-temperature activity.

NH3-SCR, ZrO2, selective catalytic reduction, afte↗
DOE OSTI2018

Dispersion and Mixing in Three-Dimensional Discrete Fracture Networks: Nonlinear Interplay Between Structural and Hydraulic Heterogeneity: DISPERSION AND MIXING-REGULAR VERSUS DISORDERED NETWORKS

We investigate the relative impact of topological, geometric, and hydraulic heterogeneity on transport processes in three-dimensional fracture networks. Focusing on the two largest scales of heterogeneity in these systems, individual fracture and network structure, we compare transport through analogous structured and disordered three-dimensional fracture networks with varying degrees of hydraulic heterogeneity. For the moderate levels of hydraulic heterogeneity we consider, network structure is the dominant control of transport through the networks. Less dispersion, both longitudinal and transverse, is observed in structured networks than in disordered networks, due in part to the higher connectivity in the former, independent of the level of hydraulic heterogeneity. However, increases in dispersion with higher hydraulic heterogeneity are larger in the disordered networks than in the structured networks, thereby indicating that the interplay between structural and hydraulic heterogeneity is nonlinear. Here, we propose a measure of disorder in fracture networks by computing the Shannon entropy of the spectrum of the Laplacian of a weighted graph representation of the networks, where the weights are given by a combination of topological, geometric, and hydraulic properties. Finally, this metric, as a relative indicator by comparison between two networks, is a first approach to the dispersion potential and “mixing capacity” of a fracture network.

58 GEOSCIENCES↗
DOE OSTI2019

Mechanistic insight into the passive NOx adsorption in the highly dispersed Pd/HBEA zeolite

Passive NOx adsorption using zeolite supported Pd catalysts has been considered one of most effective methods for low-temperature NO storage in diesel engine emission control. In the present work, first-principles density functional theory calculations were used to study NO adsorption at the highly dispersed Pd sites, i.e., monomeric PdIIO and dimeric [PdIIOPdII]2+ in the H-BEA zeolite. It has been found that each PdIIO and [PdIIOPdII]2+ sites could bind with three and four NO molecules, respectively. Upon adsorption, NO could be oxidized to NO2, resulting in the reduction of PdII to Pd0 for PdIIO and PdII to PdI, for [PdIIOPdII]2+, respectively. With increasing NO coverage at both sites, NO oxidation becomes more facile with low activation barriers of 13 and 22 kJ/mol. At the PdIIOPdII site, the binding of formed NO2 becomes weak at high NO coverage. Both PdIIO and [PdIIOPdII]2+ sites are protonated to the more stable [PdIIOH]+ and [PdIIOH]+/[PdIIOH]+ sites in the presence of H2O or neighboring BAS sites. Finally, we studied the CO effect on the NO adsorption in Pd/H-BEA. With co-fed CO in the NOx mixture, both PdIIO and [PdIIOPdII]2+ could be reduced to Pd0 and [PdI-PdI]2+ sites. Compared to the NO adsorption, our calculations show that CO adsorption is slightly stronger at the [PdIIOPdII]2+ site while it is slightly weaker at the PdIIO site. CO oxidation, rather than NO oxidation readily occurs if NO and CO co-adsorbed. The reduced PdI site and the [PdIIOH]+/[PdIIOH]+ site enhances NO adsorption.

passive NOx adsorption, density functional theory,↗
DOE OSTI2024

Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model

The addition of dispersion corrections to density functionals is essential for accurate energy and geometry predictions. Among them, the D4 scheme is popular due to its low computational cost and high accuracy. However, due to its design, the D4 correction can occasionally lead to anomalies, such as unphysical curvature and bumps in the potential energy surface. We find these anomalies are common in the D4 model, although observable consequences are rarer than in the D3 model for reasons we explain. Nevertheless, we uncover instances of unphysical local minima and stationary points with the D4 scheme and propose two solutions that yield smoother dispersion energy as a function of nuclear position. One is trivial to implement, based on a smoother reparametrization of Gaussian weighting (D4S) to find the effective coordination number. The other replaces Gaussian weighting with soft linear interpolation (D4SL). These new approaches usually remove artificial extremum points, while maintaining accuracy.

Tkachenko, Nikolay V↗
DOE OSTI2023

Dispersal, habitat filtering, and eco-evolutionary dynamics as drivers of local and global wetland viral biogeography

Abstract Wetlands store 20–30% of the world’s soil carbon, and identifying the microbial controls on these carbon reserves is essential to predicting feedbacks to climate change. Although viral infections likely play important roles in wetland ecosystem dynamics, we lack a basic understanding of wetland viral ecology. Here 63 viral size-fraction metagenomes (viromes) and paired total metagenomes were generated from three time points in 2021 at seven fresh- and saltwater wetlands in the California Bodega Marine Reserve. We recovered 12,826 viral population genomic sequences (vOTUs), only 4.4% of which were detected at the same field site two years prior, indicating a small degree of population stability or recurrence. Viral communities differed most significantly among the seven wetland sites and were also structured by habitat (plant community composition and salinity). Read mapping to a new version of our reference database, PIGEONv2.0 (515,763 vOTUs), revealed 196 vOTUs present over large geographic distances, often reflecting shared habitat characteristics. Wetland vOTU microdiversity was significantly lower locally than globally and lower within than between time points, indicating greater divergence with increasing spatiotemporal distance. Viruses tended to have broad predicted host ranges via CRISPR spacer linkages to metagenome-assembled genomes, and increased SNP frequencies in CRISPR-targeted major tail protein genes suggest potential viral eco-evolutionary dynamics in response to both immune targeting and changes in host cell receptors involved in viral attachment. Together, these results highlight the importance of dispersal, environmental selection, and eco-evolutionary dynamics as drivers of local and global wetland viral biogeography.

Environmental Sciences & Ecology↗