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Showing 1 to 2 of 2 for “"Bonding Analysis"”.
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First-Principles Study of Metal-Ceramic Interfaces
Submitted by Meng Tao (mengtao2@illinois.edu) on 2012-11-14T18:24:49Z No. of bitstreams: 1 Siegel_Donald.pdf: 7511521 bytes, checksum: 6f8fb323833d73f093cfa2ec9669d742 (MD5)
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Energetics Calculation of {10-12} Twin Nucleation and Growth in Magnesium and Alloys using Density Functional Theory and Atomistic Simulation
… twinning behavior is due to the change in atomic bonding between Mg and solute atoms in terms of electron distribution. The charge density distribution results indicate that the addition of alloying atoms can change the charge density surrounding the alloying atoms. Electrons are more localized …