Teaching diffraction using computer simulations over the Internet

Abstract

Computer simulations are a versatile tool to enhance the teaching of diffraction physics and related crystallographic topics to students of chemistry, materials science, physics and crystallography. Interactive computer simulations are presented, which have been added to a World Wide Web (WWW) based tutorial. A simple WWW interface is used to choose appropriate values for selected simulation parameters. The resulting structure and diffraction pattern are then plotted on the screen. Simulated structures range from a single atom to complex disordered or modulated structures. The simple interface requires no special computing knowledge and allows students to explore systematically the relationship between a real-space structure and the corresponding diffraction pattern. The large function set of the underlying simulation program (DISCUS) makes it easy to tailor the tutorial to a given syllabus by modifying or extending the current interactive examples.