Structures and energies of Σ 3 asymmetric tilt grain boundaries in copper and aluminium
- 19 June 2007
- journal article
- research article
- Published by Informa UK Limited in Philosophical Magazine
- Vol. 87 (22), 3147-3173
- https://doi.org/10.1080/14786430701255895
Abstract
The objective of this research is to use atomistic simulations to investigate the energy and structure of symmetric and asymmetric Σ3 ⟨110⟩ tilt grain boundaries. A nonlinear conjugate gradient algorithm was employed along with an embedded atom method potential for Cu and Al to generate the equilibrium 0 K grain boundary structures. A total of 25 ⟨110⟩ grain boundary structures were explored to identify the various equilibrium and metastable structures. Simulation results show that the Σ3 asymmetric tilt grain boundaries in the ⟨110⟩ system are composed of only structural units of the two Σ3 symmetric tilt grain boundaries. The energies for the Σ3 grain boundaries are similar to previous experimental and calculated grain boundary energies. A structural unit and faceting model for Σ3 asymmetric tilt grain boundaries fits all of the calculated asymmetric grain boundary structures. The significance of these results is that the structural unit and facet description of all Σ3 asymmetric tilt grain boundaries may be predicted from the structural units of the Σ3 coherent twin and incoherent twin boundaries for both Cu and Al.Keywords
This publication has 76 references indexed in Scilit:
- A study on the effect of cold rolling and annealing on special grain boundary fractions in commercial-purity nickelMaterials Science and Engineering: A, 2005
- Calorimetric study of multiple-step transformation in TiNi shape memory alloy with partial transformation cycleMaterials Letters, 2004
- Theoretical and experimental investigations of structures and energies of Σ = 3, [112] tilt grain boundaries in copperPhilosophical Magazine A, 1998
- Faceting transformation and energy of a Σ3 grain boundary in silverActa Metallurgica et Materialia, 1995
- The influence of grain boundary inclination on the structure and energy of σ = 3 grain boundaries in copperPhilosophical Magazine A, 1992
- Low-energy configurations of symmetric and asymmetric tilt grain boundariesPhilosophical Magazine A, 1992
- Grain boundary design and control for intergranular stress-corrosion resistanceScripta Metallurgica et Materialia, 1991
- Structure-energy correlation for grain boundaries in f.c.c. metals—IV. Asymmetrical twist (general) boundariesActa Metallurgica et Materialia, 1990
- Structure-energy correlation for grain boundaries in F.C.C. metals—III. Symmetrical tilt boundariesActa Metallurgica et Materialia, 1990
- A coincidence — Ledge — Dislocation description of grain boundariesScripta Metallurgica, 1968