Beilstein J. Nanotechnol.2011,2, 525–544, doi:10.3762/bjnano.2.57
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 computersimulations. However, when no initial 3-D structural data is available, the
application of computersimulations 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 computersimulations of new oligothiophene–oligopeptide conjugates that can self
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Figure 1:
Various morphological organization examples of fibrillar aggregates that can be formed by polymer b...
Beilstein J. Nanotechnol.2011,2, 268–275, doi:10.3762/bjnano.2.31
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 computersimulations of Co
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Figure 1:
Scanning electron micrograph of Fe nanoparticles deposited on Si. The average particle size observe...