Molecular dynamics thesis

partial list of simulations calculated for this thesis is included in chapter 3.
Chapter 4 contains the results of the simulations. Readers who are just interested in
the results are advised not just to read chapter 4, because some results are influenced by the
simulation conditions and not taking these into account will lead to erroneous conclusions.
Reading at least also sections 2.1, 2.2, 2.3.1, 2.3.5, and the conclusions in chapter 5 is
strongly recommended.
This thesis includes a CR-ROM. It contains the text and figures of this thesis in
Word 6.0 and PDF formats, a number of Quicktime movies, a number of MacMolecule
files, installers for the Adobe Acrobat Reader for MacOS, linux, various UNIXes and
MS-Windows, the MacMolecule and PCMolecule program demos, the Xanim movie viewer
for linux (it may also work on various UNIXes, but this was never verified), a tar archive
containing the Camelion MD code used to calculate the results in this thesis with some
examples, and a readme file describing the contents of the MacMolecule files and Quicktime
movies.
The movies show the evolution of films during growth, the annealing of films and
the effects of ion impacts. The MacMolecule files are 3D impressions of the molybdenum
films, which can be manipulated (e.g. rotated, atom-coloured according to a number of
criteria, etc.). The movies and MacMolecule files have been included because some results
*
PVD in this thesis means atoms deposited by electron beam evaporation without argon ion assistance.

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are better explained by moving images than by words or a small number of pictures. Most
of the Quicktime movies are cinepack-compressed and they can be displayed on any
Macintosh system that has the Quicktime extensions installed (available from
www.apple.com/quicktime). Most of them can also be displayed on MS-Windows systems
that have the Quicktime extensions installed (also available from www.apple.com/quicktime
for Windows), and on linux and (possibly) various UNIXes, using Xanim. The
MacMolecule files can be viewed by the MacMolecule demo on Macintosh systems and the
PCMolecule demo on MS-Windows systems. The full versions of MacMolecule and
PCMolecule are available from Molecular Ventures inc., URL www.molvent.com. The full
MacOS version has the capacity to record Quicktime movies.
Enjoy.

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