Browse by Subject "Density Functional Theory"
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Density Functional Study of Fullerene-Based Solids: Crystal Structure, Doping, and Electron-Phonon Interaction (2005-10)
(2015-01-21)In our modern scientific society, many new nano-materials are emerging that exhibit outstanding properties, and researchers claim that they have great potential to replace conventional mechanical and electronic devices. ...
(2013-02-03)Magnesium alloys are of great interest in the transportation sector for vehicle weight reduction and improved energy efficiency due to their high specific strength. However, Mg has limited ductility at room temperature ...