Indexing and simulation of electron diffraction patterns using the microcomputer

Abstract

Microscopists in the material science field must work with electron diffraction patterns. The ability to quickly index unknown patterns and simulate patterns of known phases would make this task much easier. Computers present the perfect solution for doing the tedious calculations involved in indexing and simulation. The following paper describes the program SIMDEX, developed by the author for these applications.SIMDEX is a set of computer programs and data base files. All of the programs are self-contained, executable files designed to run on IBM or compatible computer systems. All data files, while by no means comprehensive, are easily updated using any word processor.The files in simdex and their function are:1.Main program - index and simulate diffraction patterns.2.Plot program - produce screen image of simulated patterns.3.Menu program - change control between two working programs.4.Material data - hold lattice parameters of materials.5.Position data - hold atom positions for each space group.6.Pattern data - hold data for experimental patterns.