Atomistic simulation of the effect of trace elements on grain boundary of aluminum
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Author(s)
Detail(s)
Original language | English |
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Pages (from-to) | 387-392 |
Journal / Publication | Materials Science Forum |
Volume | 357-359 |
Publication status | Published - 2001 |
Externally published | Yes |
Conference
Title | Superplasticity in Advanced Materials (ICSAM-2000) |
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Place | United States |
City | Orlando, FL |
Period | 1 - 4 August 2000 |
Link(s)
Abstract
Molecular statics simulations are used in conjunction with the Embedded Atom Method to study the segregation tendency of magnesium and the effect of doping on aluminum symmetric tilt grain boundaries (STGB). It is observed that a state of hydrostatic stress exists predominantly near the grain boundary and influences the segregation energy of magnesium. The origin of hydrostatic stress is explained in terms of local geometrical arrangement of atoms at the grain boundary. The energy of a given grain boundary is found to increase with addition of Mg atoms and the increase depends on the normal distance of the atom from the grain boundary.
Research Area(s)
- Grain boundary energy, Hydrostatic stress, Segregation
Bibliographic Note
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Citation Format(s)
Atomistic simulation of the effect of trace elements on grain boundary of aluminum. / Namilae, S.; Shet, C.; Chandra, N. et al.
In: Materials Science Forum, Vol. 357-359, 2001, p. 387-392.
In: Materials Science Forum, Vol. 357-359, 2001, p. 387-392.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review