Atomistic simulation of the effect of trace elements on grain boundary of aluminum

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)387-392
Journal / PublicationMaterials Science Forum
Volume357-359
Publication statusPublished - 2001
Externally publishedYes

Conference

TitleSuperplasticity in Advanced Materials (ICSAM-2000)
PlaceUnited States
CityOrlando, FL
Period1 - 4 August 2000

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.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review