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Full-Text Articles in Materials Science and Engineering
Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn
Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn
Doctoral Dissertations
Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …
Mitigation Of Environmental Hazards Of Sulfide Mineral Flotation With An Insight Into Froth Stability And Flotation Performance, Muhammad Badar Hayat
Mitigation Of Environmental Hazards Of Sulfide Mineral Flotation With An Insight Into Froth Stability And Flotation Performance, Muhammad Badar Hayat
Doctoral Dissertations
"Today's major challenges facing the flotation of sulfide minerals involve constant variability in the ore composition; environmental concerns; water scarcity and inefficient plant performance. The present work addresses these challenges faced by the flotation process of complex sulfide ore of Mississippi Valley type with an insight into the froth stability and the flotation performance. The first project in this study was aimed at finding the optimum conditions for the bulk flotation of galena (PbS) and chalcopyrite (CuFeS₂) through Response Surface Methodology (RSM). In the second project, an attempt was made to replace toxic sodium cyanide (NaCN) with the biodegradable chitosan …