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The European Physical Journal Special Topics

Vol. 177 (October 2009)

Advances in the Multi-Scale Computational Design of Condensed Matter Interfaces : From the Atomistic to the Continuum Scale

• Editorial     p. 1
  H. Emmerich and S. Gemming
  PDF file (88.50 KB)



• Homogenization and two-scale models for liquid phase epitaxy     p. 5
  Ch. Eck and H. Emmerich
  Abstract | PDF file (365.1 KB) | References



• A thin interface asymptotic for a phase-field model of epitaxial growth with different adatom diffusivities     p. 23
  J. Kundin, J. Hubert and H. Emmerich
  Abstract | PDF file (365.9 KB) | References



• Atomistic calculations on interfaces: Bridging the length and time scales     p. 41
  L. Lymperakis, M. Friák and J. Neugebauer
  Abstract | PDF file (826.6 KB) | References



• Quantum mechanical and molecular mechanical simulation approaches bridging length and time scales for simulation of interface reactions in realistic environments     p. 59
  J.M. Knaup, P. Tölle, Ch. Köhler and Th. Frauenheim
  Abstract | PDF file (1.055 MB) | References



• The role of homophase and heterophase interfaces on transport properties in structured materials     p. 83
  S. Gemming, T. Kunze, K. Morawetz, V. Pankoke, R. Luschtinetz and G. Seifert
  Abstract | PDF file (714.2 KB) | References



• Methods to extract interfacial free energies of flat and curved interfaces from computer simulations     p. 103
  M. Schrader, P. Virnau, D. Winter, T. Zykova-Timan and K. Binder
  Abstract | PDF file (2.074 MB) | References



• Modeling strategies for polyelectrolyte multilayers     p. 129
  J.J. Cerdà, B. Qiao and Ch. Holm
  Abstract | PDF file (1.038 MB) | References



• Concurrent coupling between a particle simulation and a continuum description     p. 149
  M. Müller
  Abstract | PDF file (740.0 KB) | References



• Evolution of the structure factor in a hyperbolic model of spinodal decomposition     p. 165
  N. Lecoq, H. Zapolsky and P. Galenko
  Abstract | PDF file (805.3 KB) | References



• A parametric simulation method for discrete dislocation dynamics     p. 177
  M. Beneš, J. Kratochvíl, J. Křištan, V. Minárik and P. Pauš
  Abstract | PDF file (747.0 KB) | References



• Phase-field simulation of a Fe-Mn alloy under forced flow conditions     p. 193
  R. Siquieri, J. Rezende, J. Kundin and H. Emmerich
  Abstract | PDF file (1.124 MB) | References

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© EDP Sciences, Springer-Verlag 2009