کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1593220 | 1002690 | 2011 | 5 صفحه PDF | دانلود رایگان |
In this paper, we use first-principles calculations to study the correlation between mechanical behaviors and electronic structures of Al–Cu intermetallic compounds. We find that in general, the ductility of intermetallic compounds decreases with the increase in Cu content, while the corresponding work function increases but densities of states decrease. Moreover, homogeneous and symmetrical or small anisotropic charge distributions correspond to small brittleness. The present study therefore suggests that the primary origin of brittleness in intermetallic compounds can be well related to their electronic structures.
► Ductility of Al–Cu intermetallics decreases with Cu content.
► Work function increases with Cu content.
► Homogeneous charge distributions correspond to small brittleness.
Journal: Solid State Communications - Volume 151, Issue 18, September 2011, Pages 1270–1274