Physics & Astronomy

ISODISPLACE (http://stokes.byu.edu/isodisplace.html)

ISODISPLACE is an internet-based tool for exploring structural phase transitions, and finds applications in a variety of materials-related contexts such as physics, materials-science, chemistry, mechanical and electrical engineering, biology, and crystallography.  Virtually any phase transition involving displacive, strain, or order/disorder parameters can be generated, interactively visualized and saved for subsequent analysis.  The methodology provides a unique and exhaustive classification and labeling of  the order parameters, which allows one to conveniently and concisely convey the details of any such phase transition in as much or as little detail as desired. J. Appl. Cryst. 39, 607--614 (2006).

Parent-phase structural information can either be uploaded from a CIF file or entered manually.  ISODISPLACE then computes the possible distortion modes that satisfy user-specified constraints and finally allows the user to interactively view and manipulate the 3D superstructure via a server-based Java applet (requires SunJava 1.4.2 or later) and to save the distorted structure to a CIF file.  Topic-specific links to the help pages are available throughout the ISODISPLACE site, and should serve to answer many common questions.