Development of the DIFFRACALC program for analyzing the phase composition of alloys
- 作者: Frolov A.S.1, Krikun E.V.1, Prikhodko K.E.1,2, Kuleshova E.A.1,2
-
隶属关系:
- National Research Centre “Kurchatov Institute”
- National Research Nuclear University MEPhI (Moscow Engineering Physics Institute)
- 期: 卷 62, 编号 5 (2017)
- 页面: 809-815
- 栏目: Crystallographic Software
- URL: https://journals.rcsi.science/1063-7745/article/view/191388
- DOI: https://doi.org/10.1134/S1063774517050066
- ID: 191388
如何引用文章
详细
The DiffraCalc software package is developed for automatic indexing of electron diffraction patterns. The program can operate with the existing base of X-ray diffraction data, containing information about the crystal structures of more than 100 thousands of materials. This information has been extracted from open sources. A compatibility with standard crystallographic files is implemented. In the indexing mode, the program automatically analyzes an experimental diffraction pattern, implementing a search for an appropriate phase from the list compiled by a user proceeding from the crystallographic database. The indexing mode algorithm is constructed using the method of pair reflections. In the simulation mode, the program calculates the electron diffraction pattern for a specified material, which is an additional way to verify the indexing results.
作者简介
A. Frolov
National Research Centre “Kurchatov Institute”
Email: evkrikun@mail.ru
俄罗斯联邦, Moscow, 123182
E. Krikun
National Research Centre “Kurchatov Institute”
编辑信件的主要联系方式.
Email: evkrikun@mail.ru
俄罗斯联邦, Moscow, 123182
K. Prikhodko
National Research Centre “Kurchatov Institute”; National Research Nuclear University MEPhI (Moscow Engineering Physics Institute)
Email: evkrikun@mail.ru
俄罗斯联邦, Moscow, 123182; Moscow, 115409
E. Kuleshova
National Research Centre “Kurchatov Institute”; National Research Nuclear University MEPhI (Moscow Engineering Physics Institute)
Email: evkrikun@mail.ru
俄罗斯联邦, Moscow, 123182; Moscow, 115409
补充文件
