(************** Content-type: application/mathematica ************** Mathematica-Compatible Notebook This notebook can be used with any Mathematica-compatible application, such as Mathematica, MathReader or Publicon. The data for the notebook starts with the line containing stars above. To get the notebook into a Mathematica-compatible application, do one of the following: * Save the data starting with the line of stars above into a file with a name ending in .nb, then open the file inside the application; * Copy the data starting with the line of stars above to the clipboard, then use the Paste menu command inside the application. Data for notebooks contains only printable 7-bit ASCII and can be sent directly in email or through ftp in text mode. Newlines can be CR, LF or CRLF (Unix, Macintosh or MS-DOS style). NOTE: If you modify the data for this notebook not in a Mathematica- compatible application, you must delete the line below containing the word CacheID, otherwise Mathematica-compatible applications may try to use invalid cache data. For more information on notebooks and Mathematica-compatible applications, contact Wolfram Research: web: http://www.wolfram.com email: info@wolfram.com phone: +1-217-398-0700 (U.S.) Notebook reader applications are available free of charge from Wolfram Research. *******************************************************************) (*CacheID: 232*) (*NotebookFileLineBreakTest NotebookFileLineBreakTest*) (*NotebookOptionsPosition[ 74656, 7382]*) (*NotebookOutlinePosition[ 75516, 7413]*) (* CellTagsIndexPosition[ 75472, 7409]*) (*WindowFrame->Normal*) Notebook[{ Cell[CellGroupData[{Cell["\<\ Animation of the Perovskite (CaTiO3) Crystal Resutling from Molecular \ Dynamics Calculations\ \>", "Title", ImageRegion->{{0, 1}, {0, 1}}], Cell[TextData[{ "Authors: K. Nishidate, Y. Fujimura*, K. Nishikawa, M. Suhara\n \ Department of Chemistry, Faculty of Science, Kanazawa University,\n \ Kanazawa, 920, Japan\n * Addison-Wesley Publishing Company Japan\n\n", StyleBox["Copyright 1992 Permission is granted to modify and/or make copies \ of \nthis package(CrystalsMotion) for any purpose other than direct \nprofit, \ or as part of a commercial product, provided this copyright \nnotice is left \ intact and incorporated in the modified version. ", FontSize->12, FontSlant->"Plain"] }], "Subsubtitle", ImageRegion->{{0, 1}, {0, 1}}], Cell[CellGroupData[{Cell[TextData[StyleBox["Overview", FontSize->19, FontSlant->"Italic"]], "Subsection", CellDingbat->"\[GrayCircle]", ImageRegion->{{0, 1}, {0, 1}}], Cell[TextData[{ StyleBox["Mathematica", FontSlant->"Italic"], " gives us a very useful and simple way to visualize Molecular Dynamics \ (MD) simulations. ", StyleBox["Mathematica", FontSlant->"Italic"], " is used to animate the motion of ions from the results of MD calculations \ produced by the ANRZR2 and MXDORTO programs, written by K. Nishidate and K. \ Kawamura respectively. These Notebooks allow us to \"look\" at the dynamic \ motion of ions within a crystal from the results of MD calculation. There are \ many advantages to using ", StyleBox["Mathematica", FontSlant->"Italic"], " to analyze the MD simlation. For example, we can easily to view not only \ the animation of crystals, but also the graphics of trajectory of atoms over \ the MD simulation. 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