| 摘要 |
The invention relates to a method and system for analysing a disorderly material. In the method, a scattering cluster is defined, which consists of elementary parallelepipeds, which have defined principal axes and positions in space, one or more atoms from a desired set of atom types are defined for each elementary parallelepiped, for the desired positions, or one or more elementary parallelepipeds are set to be empty, and the desired properties of the cluster are defined as functions of position with the aid of suitable parameters, after which the elementary parallelepipeds form a disorderly cluster. Further, in the method, the scattering power of the cluster is calculated for the desired radiation with the aid of the properties of the cluster. With the aid of the invention, it is possible to model in greater detail disorderly materials, such a crystal-defective materials, or materials comprising various boundary surfaces. |
