Deformation paths and atomistic mechanis
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R.F. Zhang; S. Veprek
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Article
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2009
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Elsevier Science
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English
⚖ 454 KB
Two homogeneous deformation paths under uniaxial tension and shear are modeled for the wurtzite (B4) to rocksalt (B1) phase transformation of AlN by ab initio density functional theory. The B4 ? B1 transition is a two-stage process along the deformation paths: an anti-parallel vertical movement of A