MESOSIM was written to model morphological evolution in realistic systems comprising tens to hundreds of millions of atoms. These scales are too big for first principles calculations to be computationally feasible, and too small for continuum models to provide accurate results. MESOSIM uses the kinetic Monte Carlo algorithm (KMC) to approach a detailed description of atom motion on these so-called mesoscales.
This demonstration version of MESOSIM allows the user to study morphological evolution in a number of model systems, including heteroepitaxy, electrochemical etching, nanoclusters and nanovoids, and lattice gases.
You have to download the first two files for the program to work.
- MESOSIM.exe: Executable, 64-bit.
- symopencoded.lib: Encoded space group operations. Place in the C:/ directory.
- MESOSIM Documentation: PDF of the Documentation
Sample Molecule Files
- proteinboundtodna.pdb: Protein Databank format of a protein molecule.
- diamondlattice.kmc: Basis for the diamond cubic structure.
- smallmol.kmc: Example small molecule.
- mesosim.zip: All .cpp code, header files, etc., developed with Microsoft Visual Studio.
MESOSIM has been developed with funding support generously granted by the National Science Foundation, DMR-07055250 (expired) and DMR-1003901.
Last updated: 10/25/2013