- Simple numerical techniques for mesoscale polymer models
- Award date
- 4 June 2014
- Number of pages
- Document type
- PhD thesis
- Faculty of Science (FNWI)
- Van 't Hoff Institute for Molecular Sciences (HIMS)
There exist various numerical techniques for modeling polymer behavior on small time and length scales. This work introduces some new techniques in this field, and shows novel new combinations of existing techniques. Among the new techniques are multiple new thermostats, a way of modeling polymers in non-integer dimensions and a simple way of introducing a non-trivial flow pattern in particle fluid simulations.
These methods will find their use in computer simulations of various small-scale systems where the objects described are large enough to be intractable with explicit modeling of atoms, but small enough to still require explicit modeling of thermal fluctuations. One can think of DNA molecules in a fluid, polymer solutions or small scale gel formation.
- The corrected files contain minor corrections on pages 47, 109 and 123.
Research conducted at: Universiteit van Amsterdam
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