Development of the DIFFRACALC program for analyzing the phase composition of alloys


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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

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