首页 | 本学科首页   官方微博 | 高级检索  
     检索      

遗传算法在EXAFS谱图解析中的应用
引用本文:邵学广,崔光磊.遗传算法在EXAFS谱图解析中的应用[J].光谱学与光谱分析,1998,18(1):106-109.
作者姓名:邵学广  崔光磊
作者单位:中国科技大学化学系
摘    要:扩展X射线吸收精细结构(EXAFS)谱是研究物质原子近邻结构和表面结构的有力工具。EXAFS谱的解析通常采用标准样品比较法或最小二乘曲线拟合方法。但前者对标样的要求很高,而后者则参数初值难以确定,且结果有时不唯一。本文提出一种EXAFS曲线拟合的新方法一遗传算法,并对单配位层Cu样品的EXAFS谱图进行了解析,取得满意的结果。

关 键 词:遗传算法  EXAFS谱图  解析  

AN APPLICATION OF GENETIC ALGORITHMS TO THE ANALYSIS OF EXAFS SPECTRUM
X Shao,G Cui,G Zhao.AN APPLICATION OF GENETIC ALGORITHMS TO THE ANALYSIS OF EXAFS SPECTRUM[J].Spectroscopy and Spectral Analysis,1998,18(1):106-109.
Authors:X Shao  G Cui  G Zhao
Institution:Department of Applied Chemistry, University of Science and Technology of China, 230026 Hefei.
Abstract:Extended X-ray absorption fine structure (EXAFS) has been extensively used in the structural study in recent years. But the current methods of analysis EXAFS spectrum is difficult and tedious,demanding either very similar standard samples or the initial parameters near the solution. In this paper, a new technique Genetic Algorithms (GAs), was applied to the analyzing of the EXAFS spectrum,and two spectra of CU samples were investigated by the method. It was found that reasonable results can be obtained by the method only with limiting the initial parameters to a broad range. Comparing the results with those obtained by EXCURVE88, the fitting is superior, and the parameters are reasonable. Therefore, it is proved that the GAs may be a high performance method for the analyzing of the EXAFS spectra.
Keywords:GAs    EXAFS
本文献已被 CNKI 维普 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号