A fast reciprocal space method for image simulation

作者：Cai, Canying; Zeng, Songjun; Liu, Hongrong; Van Dyck, Dirk; Yang, Qibin^*

来源：Ultramicroscopy, 2008, 108(12): 1514-1519.

DOI：10.1016/j.ultramic.2008.04.003

• Image simulation
• Electron crystallography
• Scattering matrix
• Reciprocal space method

In this paper, we introduce a fast reciprocal space method for image simulation. It is well known that the scattering matrix (SM) P with N x N elements consists of N different structure factors and N different excitation errors. However, most structure factors of the SM P are extremely small so that they can be neglected. Therefore, the size of the SM P is reduced drastically. On the other hand, the structure factors have two-dimensional space group symmetries, so that by reducing the symmetry related structure factors to symmetrically independent structure factors, the size of the SM P can be reduced further. The calculation speed based on the simplified SM P will be several hundred times faster than that by other conventional methods. In this paper, we describe the method for how to reduce the SM P in detail and give an example of implementation.

• 出版日期2008-11
• 单位湘潭大学