MONTY
The MONTY program can simulate crystal growth in any
crystallographic orientation for a given crystal graph. The program has
the following features:
- Crystal growth
mechanisms:
- 2D-nucleation
- Spiral growth
- Step flow
- Driving force for
crystallisation is an explicit input parameter, so dependence of
growth morphology on crystallisation driving force can be simulated.
- Resulting surface
can be output as .pdb or .xyz for easy viewing of the simulation results
- Height, surface energy
and height-height correlation can be monitored for additional
statistical mechanics information.
The program can be obtained under an academic license. Please contact
Hugo Meekes for more
information.
Current version: 0.981
Language: C
Runs on: Linux, MacOS X, Windows, IRIX,
Solaris
Reference for citation:
Boerrigter, S. X. M., Josten, G. P. H., van de Streek, J., Hollander,
F. F. A., Los, J., Cuppen, H. M., Bennema, P. and Meekes, H.,
"MONTY: Monte Carlo Crystal Growth on any Crystal
Structure in any Crystallographic Orientation: Application to Fats",
J. Phys. Chem. A, 2004, 108, 5894-5902
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