Abstract
We report on recent investigations performed with IMD (ITAP Molecular Dynamics), a general purpose program for classical molecular dynamics simulations on workstations and massively parallel supercomputers. Especially the simulations of dislocations in icosahedral quasicrystals are described. The quasiperiodic structure leads to new interesting properties. The visualization of a dislocation is much more complicated than in periodic crystals and is presented in detail. An overview of the software used is also provided.
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Schaaf, G. et al. (2002). Simulation of Dislocations in Icosahedral Quasicrystals with IMD. In: Krause, E., Jäger, W. (eds) High Performance Computing in Science and Engineering ’01. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-56034-7_2
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DOI: https://doi.org/10.1007/978-3-642-56034-7_2
Publisher Name: Springer, Berlin, Heidelberg
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