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The Quasicontinuum (QC) code is an implementation of the QC method for simple lattice crystals at zero temperature. The NanoHUB implementation includes several EAM potentials for fcc metals and three example simulations: – the shearing of a bi-crystal – indentation by a square punch into a single crystal – the collision of two nano-asperities on the surfaces of two crystals.
These examples can be run as-is, modified to explore the effects of various parameters, or used as a starting point for other simulations.
The QC code also has the following features:
Macro programming language that allows the user to custom design a simulation algorithm
Automatic mesh generation
Conjugate Gradient (CG) and Newton-Raphson (NR) solvers
Plot generation in a format that can be read by Tecplot or VisIt
All of these features are fully functional in the NanoHUB implementation.
Researchers should cite this work as follows: