Simulation packages developed at Marian group

1. Lattice Kinetic Monte Carlo (LKMC) Simulator


< Download (github) >
The LKMC simulation package can be used to study microstructural evolution of metal alloys
under various scenarios, including annealing and irradiation. The code uses a primitive lattice
reconstruction to construct FCC, BCC, and HCP rigid crystal lattices. Diffusion is
simulated by way defect-mediated atomic transport. The LKMC simulation package includes
transport by both vacancy and interstitials. We have used it to study alloy evolution in
Fe-Cu, Ni-Au, and W-Re. The code is written in C++.
To know more about the details of the code please see the README.md file.

2. Stochastic Cluster Dynamics (SCD) Simulator


< Download (github) >
The SCD simulation package contains a computer code written in C used to study the evolution
of defect and solute clusters under the mean-field approximation using a stichastic solver.
The code can be used to study multispecies condtions such as under fusion irradiation including
transmutation. The present parameterization is for the W-Re alloy but we have used the code for
W-He, Fe-Cr, and Fe-He-H.