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Search for "computer simulations" in Full Text gives 27 result(s) in Beilstein Journal of Nanotechnology.

Self-organizing bioinspired oligothiophene–oligopeptide hybrids

  • Alexey K. Shaytan,
  • Eva-Kathrin Schillinger,
  • Elena Mena-Osteritz,
  • Sylvia Schmid,
  • Pavel G. Khalatur,
  • Peter Bäuerle and
  • Alexei R. Khokhlov

Beilstein J. Nanotechnol. 2011, 2, 525–544, doi:10.3762/bjnano.2.57

Graphical Abstract
  • extended into the dynamic domain. Since microcrystals usually only provide the structures of the basic aggregation units, different arrangements of these units into the protofilaments and then fibers may be probed in computer simulations. However, when no initial 3-D structural data is available, the
  • application of computer simulations may be less straightforward. In this case, it is necessary to predict or suggest various trial arrangements, construct the aggregates, and then test their characteristics against available experimental data. The latter approach has a much wider applicability in terms of
  • studied compounds and potential applications for the rational computer-aided design of new macromolecular systems with specific properties. In this minireview, we discuss the recent progress in the design, synthesis and in computer simulations of new oligothiophene–oligopeptide conjugates that can self
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Review
Published 05 Sep 2011

Effect of large mechanical stress on the magnetic properties of embedded Fe nanoparticles

  • Srinivasa Saranu,
  • Sören Selve,
  • Ute Kaiser,
  • Luyang Han,
  • Ulf Wiedwald,
  • Paul Ziemann and
  • Ulrich Herr

Beilstein J. Nanotechnol. 2011, 2, 268–275, doi:10.3762/bjnano.2.31

Graphical Abstract
  • 3%. The actual stress generated in the films depends on the transfer of the elastic strain in the substrate to the particle embedding film. This transfer depends crucially on the interface properties and is also limited by the onset of plastic deformation. Previous computer simulations of Co
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Full Research Paper
Published 01 Jun 2011
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