The Quasicontinuum method allows for large scale atomistic modeling by accounting for atomic interactions where necessary (i.e. near surfaces, grain boundaries, cracks, dislocations,...) embedded in a continuum framework. The areas of interest demanding an atomistic treatment are constantly updated as the simulation progresses. An overview published in Journal of Computer-Aided Materials Design describing the history and applications of the method can be downloaded on this website. Reference:
R.E. Miller and E.B. Tadmor, "The Quasicontinuum Method: Overview, applications and current directions," Journal of Computer-Aided Materials Design, 9, 2002, pp 203-239.

Also available is a downloadable version of the code which is limited to plane strain conditions and simple Bravais lattices, but is customizable by the user.

Citation: Ron Miller and Ellad Tadmor, "Quasicontinuum." Last updated April 5, 2008.

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