CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth

A Monte Carlo crystal growth simulation tool, CrystalGrower, is described which is able to simultaneously
model both the crystal habit and nanoscopic surface topography of any crystal structure under conditions
of variable supersaturation or at equilibrium. This tool has been developed in order to permit the rapid
simulation of crystal surface maps generated by scanning probe microscopies in combination with
overall crystal habit. As the simulation is based upon a coarse graining at the nanoscopic level features
such as crystal rounding at low supersaturation or undersaturation conditions are also faithfully
reproduced. CrystalGrower permits the incorporation of screw dislocations with arbitrary Burgers vectors
and also the investigation of internal point defects in crystals. The effect of growth modifiers can be
addressed by selective poisoning of specific growth sites. The tool is designed for those interested in
understanding and controlling the outcome of crystal growth through a deeper comprehension of the
key controlling experimental parameters.