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Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
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There is a promising future for the use of aluminum-cerium-magnesium alloys in a broad range of applications, including devices that operate at high temperatures. With cerium currently considered a waste product of rare earth mining validation studies of possible applications are essential to reduce the environmental waste. Here, a computational-experimental framework is developed to investigate the role both the intermetallic and matrix have on the mechanical properties of these alloys. A set of experiments, including SEM/EBSD imaging, nanoindentation, in-situ SEM tensile testing, and in-situ SEM-DIC tests are performed to characterize the microstructure and mechanical properties of these alloys. Furthermore, the elastic, plastic, and failure deformation mechanisms of the microstructure, and their correlation with the bulk scale mechanical properties are investigated. Experimental results are also used to calibrate parameters for a crystal plasticity finite element model, by performing a computational framework that minimizes the error between the computational and experimental results. This model is then utilized to investigate how the area percentage of intermetallics and the crystallographic texture control the mechanical properties of the alloy. Simulation results show that an increase in the percentage of intermetallics increase the strength but decrease the ductility of the alloy. Also, a change in material texture improves strength and reduces damage that leads to material failure. The development of the crystal plasticity model, as discussed in this work, opens opportunities for future investigations of similar aluminum-cerium-magnesium alloys.
A novel RCC process using modified CZA DFMs to produce renewable MeOH is presented. K/CZA provides exceptionally high productivity of MeOH compared to previously reported attempts of RCC to MeOH.
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Electromigration experiments, their results at different densities.
Alabama coastal systems have been subjected to increasing pressure from a variety of activities including urban and rural development, shoreline modifications, industrial activities, and dredging of shipping and navigation channels. The impacts on coastal ecosystems are often observed through the use of indicator species. One such indicator species for aquatic ecosystem health is submerged aquatic vegetation (SAV). Watershed and hydrodynamic modeling has been performed to evaluate the impact of land cover land use (LCLU) change in the two counties surrounding Mobile Bay (Mobile and Baldwin) on SAV stressors and controlling factors (temperature, salinity, and sediment) in the Mobile Bay estuary. Watershed modeling using the Loading Simulation Package in C++ (LSPC) was performed for all watersheds contiguous to Mobile Bay for LCLU scenarios in 1948, 1992, 2001, and 2030. Remotely sensed Landsat-derived National Land Cover Data (NLCD) were used in the 1992 and 2001 simulations after having been reclassified to a common classification scheme. The Prescott Spatial Growth Model was used to project the 2030 LCLU scenario based on current trends. The LSPC model simulations provided output on changes in flow, temperature, and sediment for 22 discharge points into the estuary. These results were inputted in the Environmental Fluid Dynamics Computer Code (EFDC) hydrodynamic model to generate data on changes in temperature, salinity, and sediment on a grid throughout Mobile Bay and adjacent estuaries. The changes in the aquatic ecosystem were used to perform an ecological analysis to evaluate the impact on SAV habitat suitability. This is the key product benefiting the Mobile Bay coastal environmental managers that integrates the influences of temperature, salinity, and sediment due to LCLU driven flow changes with the restoration potential of SAVs. Data products and results are being integrated into NOAA s EcoWatch and Gulf of Mexico Data Atlas online systems for dissemination to coastal resource managers and stakeholders.
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