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Atomistic Simulation of Grain Boundaries of the Twin Limited Structure in Ni3Al

Published online by Cambridge University Press:  22 February 2011

Maria-Lynn Turi ,
R. Zugic ,
B. Szpunar ,
U. Erb ,
G. Palumbo  and
V. Krstic
Maria-Lynn Turi
Affiliation:
Department of Materials and Metallurgical Engineering, Queen’s University, Kingston, Ontario, CANADA, K7L 3N6
R. Zugic
Affiliation:
Department of Materials and Metallurgical Engineering, Queen’s University, Kingston, Ontario, CANADA, K7L 3N6
B. Szpunar
Affiliation:
Department of Materials and Metallurgical Engineering, Queen’s University, Kingston, Ontario, CANADA, K7L 3N6
U. Erb
Affiliation:
Department of Materials and Metallurgical Engineering, Queen’s University, Kingston, Ontario, CANADA, K7L 3N6
G. Palumbo
Affiliation:
Department of Materials and Metallurgical Engineering, Queen’s University, Kingston, Ontario, CANADA, K7L 3N6
V. Krstic
Affiliation:
Department of Materials and Metallurgical Engineering, Queen’s University, Kingston, Ontario, CANADA, K7L 3N6
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Abstract

Embedded atom method molecular dynamics simulations of low Σ grain boundaries in Ni3Al are presented. The results show that the grain boundary plane has a larger effect on grain boundary energy than the Σ value, rigid body translations and stoichiometry. Assessment of the energies of Σ3n (n ≥ 1) grain boundaries in Ni3Al for various grain boundary planes indicates that only the Σ3 grain boundary is energetically preferred. The implications of this result for the development of the twin limited structure based on energetic considerations are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 737
Copyright
Copyright © Materials Research Society 1995

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