QC Code
The QC code is available for download
here. The following documentation for the QC code is available:
QC Theory
The QC theory has been extensively docmumented in a variety of formats. The following sources are good places to start:
- Key articles describing major milestones in QC method development include:
- E. B. Tadmor, M. Ortiz and R. Phillips,
"Quasicontinuum analysis of defects in solids",
Phil. Mag. A, 73, 1529-1563 (1996).
Available online for subscribers here.
- V. B. Shenoy, R. Miller, E. B. Tadmor, D. Rodney, R. Phillips and M. Ortiz,
"An adaptive finite element approach to atomic-scale mechanics the quasicontinuum method",
J. Mech. Phys. Solids, 47, 611-642 (1999).
Available online for subscribers here.
- E. B. Tadmor, G. S. Smith, N. Bernstein and E. Kaxiras,
"Mixed finite element and atomistic formulation for complex crystals",
Phys. Rev. B, 59, 235-245 (1999).
Available online for subscribers here.
- L. M. Dupuy, E. B. Tadmor, R. E. Miller and R. Phillips,
"Finite-temperature quasicontinuum: Molecular dynamics without all the atoms",
Phys. Rev. Lett., 95, 060202 (2005).
Available online for subscribers here.
- Key review articles and overviews of QC include:
- R. E. Miller and E. B. Tadmor,
"The quasicontinuum method: Overview, applications and current directions",
J. Comp.-Aided Mater. Des., 9, 203-239 (2002).
Reprint available here with permission of publisher.
- E. B. Tadmor and R. E. Miller,
"The theory and implementation of the quasicontinuum method",
in the Handbook of Materials Modeling, Part A - Methods,
edited by S. Yip, Springer-Verlag, New York, 2005.
Preprint available here.
- Articles reviewing and comparing multiscale methods similar to QC:
- W. A. Curtin and R. E. Miller,
"Atomistic/continuum coupling in computational materials science",
Modell. Simul. Mater. Sci. Eng., 11, R33-R68 (2003).
Available online for subscribers here.
- R. E. Miller and E. B. Tadmor,
"Hybrid continuum mechanics and atomistic methods for simulating materials deformation and failure",
MRS Bulletin, 32, 920-926 (2007).
Available online for subscribers here.
- R. E. Miller and E. B. Tadmor,
"A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods",
Model. Simul. Mater. Sci. Eng., 17, 053001 (2009).
Preprint available here.
- A graduate-level textbook discussing the theoretical foundations of the QC method and other multiscale methods:
- E. B. Tadmor and R. E. Miller,
Modeling Materials: Continuum, Atomistic and Multiscale Techniques,
Cambridge University Press (2011).
More information on this book and a companion book written by the same authors together with Ryan S. Elliott on Continuum Mechanics and Thermodynamics is available at
http://modelingmaterials.org.