Surfaces
CaRIne 4.0 includes new interactive tools to create and visualize surfaces. A surface is defined from a unit cell, a (hkl) reference plane and some geometric properties. A surface is built in a volume (right-angled parallelepiped). The length and the width of the volume V are taken in the (hkl) reference plane, and both thickness (upper and bottom) are taken respectively along the normal of the (hkl) reference plane and the inverted normal.
The (hkl) reference plane set automatically the orientation of the unit cell reference frame in the volume V, but it is always possible to rotate the unit cell along the normal of the (hkl) reference plane.
A surface can also be calculated with a cut defect. A cut axis must be given, this cut axis can be every [uvw] direction taken in the (hkl) reference frame. During the building of the surface for which the cut defect is activated , the atoms and the lattice points are rotated around the cut axis.
A surface is automatically updated, by a refresh event or a building event, if its associated unit cell (the one from which the surface is defined) is modified. In a project, several surfaces can be created from the same unit cell.
Interfaces
Interfaces, grain boundaries and multilayer specimens of a single or multi-phased material can be studied with the surface stackings module.
This module allows to associate several crystals (defined as surfaces in this case) in the same 3D graphic representation by giving orientation relationships (epitaxial relationships : (hkl) reference plane of the surfaces are parallel, and eventually, the [uvw] directions used for the orientation of the surfaces can be set parallel).