How to build nanoparticles? CLUSTER software

CLUSTER – the building and simulation program with a graphical interface. CLUSTER is a simple tool for: 1) building fcc nanoparticles (NPs). Various properties of the NPs can be configured: - SHAPE: Cuboctahedron, Decahedron, Icosahedron, and several shape modifiers are available; - BIMETALLIC NPs shape: Janus, Core-Shell and alloy structures; - SIZE: from 13 to 50000 atoms; - DEFECTS: vacancies, stacking and polytypic defects; - The following metals are currently available: Au, Pt, Pd and Co. Other fcc metals can be added, e.g. parameters from . (1990) 61(3), 139. For more information please contact Professor Zbigniew Kaszkur ( zkaszkur@ ). 2) ab initio calculations (Sutton-Chen n-body approach). Different methods are available: - Relaxation; - Molecular dynamics; - Configuration Monte Carlo; - Several variations of these methods and/or use of constraints are available. 3) X-ray scattering analysis: - rad