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PCED2.0——一个用于多晶电子衍射图模拟的计算机程序。

PCED2.0--a computer program for the simulation of polycrystalline electron diffraction pattern.

机构信息

Nebraska Center for Materials and Nanoscience, University of Nebraska, WSEC N104, Lincoln, NE 68588-0650, USA.

出版信息

Ultramicroscopy. 2010 Mar;110(4):297-304. doi: 10.1016/j.ultramic.2009.12.009. Epub 2010 Jan 6.

Abstract

A computer program for the simulation of polycrystalline electron diffraction patterns is described. PCED2.0, an upgraded version of the previous JECP/PCED, can be used as a teaching aid and research tool for phase identification, microstructure texture analysis, and phase fraction determination. In addition to kinematical theory for diffraction intensity calculation of polycrystalline samples, Blackman two-beam dynamical correction is included. March model is used for out-of-plane and in-plane texture simulation. A pseudo-Voigt function is used for the peak profile fitting of diffraction rings. User-friendly interface is improved in the handling of experimental diffraction data and the flexibility of indexing. Application of the program for the analysis of FePt thin films is given as an example.

摘要

描述了一个用于多晶电子衍射花样模拟的计算机程序。PCED2.0 是之前 JECP/PCED 的升级版本,可用作相鉴定、微观结构织构分析和相分数测定的教学辅助工具和研究工具。除了用于多晶样品衍射强度计算的运动学理论外,还包括 Blackman 双光束动力学修正。March 模型用于模拟面外和面内织构。使用拟和 Voigt 函数对衍射环的峰形进行拟合。在处理实验衍射数据和索引的灵活性方面,改进了用户友好的界面。给出了该程序在 FePt 薄膜分析中的应用示例。

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