On the Pseudo Phase Diagram of Single Semi-Flexible Polymer Chains: A Flat-Histogram Monte Carlo Study
Local stiffness of polymer chains is instrumental in all structure formation processes of polymers, from crystallization of synthetic polymers to protein folding and DNA compactification. We present Stochastic Approximation Monte Carlo simulations-a type of flat-histogram Monte Carlo method-determin...
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| Veröffentlicht in: | Polymers 2017-01, Vol.9 (2), p.38-38 |
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| container_title | Polymers |
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| creator | Werlich, Benno Taylor, Mark P Shakirov, Timur Paul, Wolfgang |
| description | Local stiffness of polymer chains is instrumental in all structure formation processes of polymers, from crystallization of synthetic polymers to protein folding and DNA compactification. We present Stochastic Approximation Monte Carlo simulations-a type of flat-histogram Monte Carlo method-determining the density of states of a model class of single semi-flexible polymer chains, and, from this, their complete thermodynamic behavior. The chains possess a rich pseudo phase diagram as a function of stiffness and temperature, displaying non-trivial ground-state morphologies. This pseudo phase diagram also depends on chain length. Differences to existing pseudo phase diagrams of semi-flexible chains in the literature emphasize the fact that the mechanism of stiffness creation matters. |
| doi_str_mv | 10.3390/polym9020038 |
| format | Article |
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| ispartof | Polymers, 2017-01, Vol.9 (2), p.38-38 |
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| source | MDPI - Multidisciplinary Digital Publishing Institute; Free E-Journal (出版社公開部分のみ）; PubMed Central; PubMed Central Open Access |
| subjects | Approximation Chains (polymeric) Computer simulation Mathematical analysis Monte Carlo methods Phase diagrams Stiffness Thermodynamic properties |
| title | On the Pseudo Phase Diagram of Single Semi-Flexible Polymer Chains: A Flat-Histogram Monte Carlo Study |
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