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  1. Predicting Adhesion Energies of Metal Nanoparticles to Support Surfaces, Which Determines Metal Chemical Potential versus Particle Size and Thus Catalyst Performance

    Improved catalysts and electrocatalysts composed of transition metal nanoparticles dispersed on high-area supports are essential for energy and environmental technologies. The chemical potential of the metal atoms in these supported nanoparticles is an important descriptor that correlates with both their catalytic activity and deactivation rate. This descriptor (μM) is predictably determined by the particle size and the adhesion energy per unit area at the metal/support interface (Eadh). We show here that the adhesion energies for different metals on a given support scale linearly with a simple property of the metal: for oxides, it is proportional to the metal oxophilicity, andmore » for the carbon support, it increases linearly with metal carbophilicity (both divided by the area per metal atom). Furthermore, these relationships allow predicting Eadh for other metal/support combinations, thus allowing estimation of μM versus particle size and thereby better structure-based predictions of catalysts’ performance, which can aid in designing improved catalysts.« less
  2. Using taxa-based approaches to delineate stream macroinvertebrate assemblage responses to stressor gradients in modified alluvial agroecosystems

    Alluvial plain landscapes are some of the most agriculturally productive lands in the world but often have modified stream ecosystems due to cultivation history. This context requires consideration when establishing water quality management goals. We analyzed state water quality databases to demonstrate that Mississippi Alluvial Plain (MAP) ecoregion streams have elevated specific conductivity (SC) and nutrients and lower macroinvertebrate local and regional taxa pools compared to streams in other ecoregions, potentially reducing the efficacy of traditional biomonitoring approaches within the region. To overcome these challenges, we used threshold indicator taxa analysis (TITAN) to compare macroinvertebrate assemblage responses to water qualitymore » gradients among ecoregions in Mississippi. We identified individual taxa and assemblage-level responses to increasing water quality degradation in MAP streams. Observed responses occurred at higher concentrations for SC, total organic carbon (TOC) and total phosphorus (TP), but not total nitrogen (TN) relative to other ecoregions. These responses appeared to be driven by a large proportion of indicator taxa considered tolerant or unresponsive in other ecoregions, responding negatively to increasing water quality stressors in MAP streams. Our observed assemblage-level stressor responses to WQ gradients in MAP streams demonstrate shifting tolerance in highly altered ecosystems may require adjustments to recovery expectations but also provide useful measures for monitoring improvements in regional water quality. For example, our observed macroinvertebrate assemblage response to increasing TP identified a management goal similar to guidance based on distributional analysis of water quality data within the MAP ecoregion (0.11 vs 0.128 mg L–1) and thus provide some biological basis for previously identified nutrient goals for the region. Our approach can guide and monitor success of nutrient reduction efforts in MAP watersheds and other alluvial plain agroecosystems where reference conditions do not exist, and local and regional taxa pools are less diverse and may not support full recovery of ecological assemblages. While our results are promising, they should also be compared with more sensitive and less habitat-limited biological assemblages (e.g., algae or bacteria) to better understand complex ecological responses to best management practices designed to increase sustainability of high production agricultural regions.« less
  3. Failure Modes, Mechanisms, Effects, and Criticality Analysis of Ceramic Anodes of Solid Oxide Fuel Cells

    Solid oxide fuel cells (SOFCs) are a highly efficient chemical to electrical energy conversion devices that have potential in a global energy strategy. The wide adoption of SOFCs is currently limited by cost and concerns about cell durability. Improved understanding of their degradation modes and mechanisms combined with reduction–oxidation stable anodes via all-ceramic-anode cell technology are expected to lead to durability improvements, while economies of scale for production will mitigate cost of commercialization. This paper presents an Ishikawa analysis and a failure modes, mechanisms, effects, and criticality analysis (FMMECA) for all-ceramic anode based SOFCs. FMMECA takes into account the lifemore » cycle conditions, multiple failure mechanisms, and their potential effects on fuel-cell health and safety.« less
  4. Adaptive wavelet compression of large additive manufacturing experimental and simulation datasets

    New manufacturing technologies such as additive manufacturing require research and development to minimize the uncertainties in the produced parts. The research involves experimental measurements and large simulations, which result in huge quantities of data to store and analyze. We address this challenge by alleviating the data storage requirements using lossy data compression. We select wavelet bases as the mathematical tool for compression. Unlike images, additive manufacturing data is often represented on irregular geometries and unstructured meshes. Thus, we use Alpert tree-wavelets as bases for our data compression method. We first analyze different basis functions for the wavelets and find themore » one that results in maximal compression and miminal error in the reconstructed data. We then devise a new adaptive thresholding method that is data-agnostic and allows a priori estimation of the reconstruction error. Finally, we propose metrics to quantify the global and local errors in the reconstructed data. One of the error metrics addresses the preservation of physical constraints in reconstructed data fields, such as divergence-free stress field in structural simulations. While our compression and decompression method is general, we apply it to both experimental and computational data obtained from measurements and thermal/structural modeling of the sintering of a hollow cylinder from metal powders using a Laser Engineered Net Shape process. The results show that monomials achieve optimal compression performance when used as wavelet bases. The new thresholding method results in compression ratios that are two to seven times larger than the ones obtained with commonly used thresholds. Overall, adaptive Alpert tree-wavelets can achieve compression ratios between one and three orders of magnitude depending on the features in the data that are required to preserve. Furthermore, these results show that Alpert tree-wavelet compression is a viable and promising technique to reduce the size of large data structures found in both experiments and simulations.« less
  5. Nuclear matter effects on J/ψ production in asymmetric Cu + Au collisions at \(\sqrt{s_{\mathrm{NN}}} = 200\) GeV

    We report on J/ψ production from asymmetric Cu+Au heavy-ion collisions at \(\sqrt{s_{\mathrm{NN}}} = 200\) GeV at the Relativistic Heavy Ion Collider at both forward (Cu-going direction) and backward (Au-going direction) rapidities. The nuclear modification of J/ψ yields in Cu+Au collisions in the Au-going direction is found to be comparable to that in Au+Au collisions when plotted as a function of the number of participating nucleons. In the Cu-going direction, J/ψ production shows a stronger suppression. This difference is comparable in magnitude and has the same sign as the difference expected from shadowing effects due to stronger low-x gluon suppression inmore » the larger Au nucleus. Thus, the relative suppression is opposite to that expected from hot nuclear matter dissociation, since a higher energy density is expected in the Au-going direction.« less

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