1 research outputs found
interface_master: Python package building CSL and approximate CSL interfaces of any two lattices -- an effective tool for interface engineers
Crystalline interfaces are of highly importance in many practical
applications. To conduct effective simulation and analysis for coincident site
lattice (CSL) interfaces, effective programmes are of high demand in building
their CSL bicrystal models to apply periodic boundary condition. The existing
reported programmes capable suffer from problems including limitation of
available lattice, poor capability for making heterogeneous interfaces and
requirement of none-intuitive input parameters which cannot be directly
obtained from an experimental observation result for an interface. This work
presents a python programme to construct bicrystal model of interfaces
consisting of any two lattices, including tilt, twist, mixed, and hetero
interfaces and surfaces, which will support in effective simulation and
analysis of crystalline interfaces.Comment: 13pages, 3figures, 3tables.
https://github.com/nmdl-mizo/interface_master/tree/maste