Abstract
Employing computer simulation techniques several studies of the relaxation of atoms in coincidence type grain boundaries have been performed in recent years. Often it is difficult to obtain a clear representation of the relaxed boundary structure, especially in the case of small atomic displacements. In this paper a method of representing the relaxed grain boundary structure is described using a Fourier analysis of the atomic configuration after relaxation. Computer experiments were carried out on Σ = 19, 46.8°/[111] in Al. Next, results obtained from computer experiments dealing with the interaction between He and a tilt grain boundary in Mo are presented. Direct motivation for this study stems from the transmission electron microscopic observation of helium trapping at a set of [100] edge dislocations defining a low angle tilt boundary in Mo.
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