This software uses the Monte-Carlo method to simulate the numerical processes of molecules on the surface of a growing crystal.
LeoMonteCrystal is a powerful software tool that enables the user to perform numerical simulations based on a Monte Carlo implementation of a modified cellular automaton model. With this software, the user can simulate crystal surfaces by representing them through a two-dimensional matrix.
The value and position of the elements in the matrix define the 3D location of the molecules on the crystal surface. The software calculates the relative probabilities of accepting or emitting a molecule through a thermally activated reaction model that takes into account the immediate surroundings of each molecule on the surface.
This approach allows for the direct introduction of surface energy into the crystal growth model. As a result, the model can also calculate the concentration of hole type defects that are formed as a result of bottle-neck like structures on the rough surface.
The software provides a flexible data panel where users can type in parameters for a single experiment. Users can choose to use favorite measurement units, and LeoMonteCrystal offers unit converter capabilities, allowing you to use initial parameters defined in various unit systems.
The data input panel instantly displays theoretical values for velocity crystal growth calculated for competitive theoretical models, and most importantly, with formulas found as a result of extensive research for a given set of initial parameters. Temperature dependence of growth rate, surface roughness, and defects concentration calculated by the software’s formulas are displayed at separate charts.
LeoMonteCrystal offers an automatic update feature that updates all dependent variables accordingly, providing functionality of a thermodynamic and crystallography calculator. Frequently used parameters corresponding to compounds of interest can also be saved or imported to/from a comma-delimited file (MS Excel compatible).
During simulation, the software displays charts at the 'Results' panel, which show the timeline of distance of crystal surface growth progress, its roughness, instant growth rate, and concentration of the hole-like defects. In conclusion, the LeoMonteCrystal software can significantly improve digital simulations of crystal growth, providing valuable insights for research and development.
The value and position of the elements in the matrix define the 3D location of the molecules on the crystal surface. The software calculates the relative probabilities of accepting or emitting a molecule through a thermally activated reaction model that takes into account the immediate surroundings of each molecule on the surface.
This approach allows for the direct introduction of surface energy into the crystal growth model. As a result, the model can also calculate the concentration of hole type defects that are formed as a result of bottle-neck like structures on the rough surface.
The software provides a flexible data panel where users can type in parameters for a single experiment. Users can choose to use favorite measurement units, and LeoMonteCrystal offers unit converter capabilities, allowing you to use initial parameters defined in various unit systems.
The data input panel instantly displays theoretical values for velocity crystal growth calculated for competitive theoretical models, and most importantly, with formulas found as a result of extensive research for a given set of initial parameters. Temperature dependence of growth rate, surface roughness, and defects concentration calculated by the software’s formulas are displayed at separate charts.
LeoMonteCrystal offers an automatic update feature that updates all dependent variables accordingly, providing functionality of a thermodynamic and crystallography calculator. Frequently used parameters corresponding to compounds of interest can also be saved or imported to/from a comma-delimited file (MS Excel compatible).
During simulation, the software displays charts at the 'Results' panel, which show the timeline of distance of crystal surface growth progress, its roughness, instant growth rate, and concentration of the hole-like defects. In conclusion, the LeoMonteCrystal software can significantly improve digital simulations of crystal growth, providing valuable insights for research and development.
What's New
Version 1.1: Major update of previous version LeoCrystal.