Browsing Materials Engineering (MatEng) by Subject "Density Functional Theory"
Now showing items 1-2 of 2
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First Principles Study Of Structure And Stacking Fault Energies In Some Metallic Systems
(2010-08-05)Plastic deformation in crystalline materials largely depends on the properties of dislocations, in particular their mobility. While continuum description of deformation of a crystalline metal can be made reasonably well ... -
First-Principles Studies of Point Defects and Phase Transformations in Materials
(2018-01-18)The functional and mechanical properties of a material are often determined by the defects in them. A thorough understanding of the relationship between the defects and the properties allows for tailoring a material’s ...