Comparison of Two Simulation Methods in Electron Crystallography： BW Method and a Modified Direct Product Method of Scattering Matrix  

作　　者：Yi Yang Canying Cai Qibin Yang 

机构地区：[1]School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, China

出　　处：《Journal of Materials Science & Technology》2017年第2期210-214,共5页材料科学技术（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant Nos. 11274263 and 11274264)

摘　　要：In this paper, a modified direct product method of scattering matrix （DPSM） was presented and the cal- culation formulawas derived as follows： φ（z）=∑n1/n!（Mz）nφ（O）and φ（z＋εj）=∑n1/n!（Mεj）nφ（z）,whereM is the scattering matrix of which the dimension can be reduced by ＇Bethe potential method＇ drastically and therefore the calculation speed can be increased tremendously without losing accuracy very much. The results calculated with the DPSM method are in almost exact agreement with those calculated with BW method. However, the calculation speed for the modified DPSM method is approximately three times faster than that for the BW method. Furthermore, the DPSM is suitable for computing all types of ma- trices without requiring symmetry or conjugate symmetry.In this paper, a modified direct product method of scattering matrix （DPSM） was presented and the cal- culation formulawas derived as follows： φ（z）=∑n1/n!（Mz）nφ（O）and φ（z＋εj）=∑n1/n!（Mεj）nφ（z）,whereM is the scattering matrix of which the dimension can be reduced by ＇Bethe potential method＇ drastically and therefore the calculation speed can be increased tremendously without losing accuracy very much. The results calculated with the DPSM method are in almost exact agreement with those calculated with BW method. However, the calculation speed for the modified DPSM method is approximately three times faster than that for the BW method. Furthermore, the DPSM is suitable for computing all types of ma- trices without requiring symmetry or conjugate symmetry.

关 键 词：Electron crystallography Image simulation Bethe potential method Matrix diagonalization 

分 类 号：O738[理学—晶体学]