F. J. Perez-Perez and R. Smith, Nuclear Instruments and Methods B 153 (1999) 136.  Home/Search   Document Not in Database   Summary   Related Articles

....initially perfect crystals of # iron via molecular dynamics [6] 7] 8] The natural step to improve the understanding of the role of grain boundaries in defect production is the study of collision cascades near these interfaces. Recently such simulations of radiation damage near interfaces in iron [9] and silver [10] have been reported. This work describes the behaviour of radiation damage on two di#erent grain boundaries in # iron. The two ideal grain boundaries chosen for this study are symmetrical tilt and symmetrical twist boundaries. There are two steps in modelling process. The first ....

....scheme we can create a bi crystal with the boundary required as a starting point for a relaxation molecular dynamics procedure. In the case of a symmetrical tilt boundary we also add a rigid body translation parallel to the boundary to make a more stable initial configuration as is explained in [9]. The unrelaxed structure is assumed to be at 0 K but containing excess potential energy. In order to represent the interaction between iron atoms, a many body potential for # iron has been used. This potential has the Finnis Sinclair form [12] with modifications on the ion ion repulsive part ....

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F. J. Perez-Perez and R. Smith, Nuclear Instruments and Methods B 153 (1999) 136.

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