Hinweis zum Urheberrecht
Aufsatz zugänglich unter
URN: urn:nbn:de:bvb:29-opus-38168
URL: http://www.opus.ub.uni-erlangen.de/opus/volltexte/2012/3816/
Communication: Fundamental measure theory for hard disks: Fluid and solid
Roth, Roland ;
Mecke, Klaus ;
Oettel, Martin
| Originalveröffentlichung: |
| (2012) Journal of Chemical Physics 136.8 (2012): 06.11.2012 <http://jcp.aip.org/resource/1/jcpsa6/v136/i8/p081101_s1> |
| pdf-Format:
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| SWD-Schlagwörter: |
| - |
| Freie Schlagwörter (Englisch): |
| density functional theory , equations of state |
| PACS - Klassifikation: |
| 64.10.+h , 71.15.Mb |
| Collection: |
| Universität Erlangen-Nürnberg / Allianzlizenzen / 2012 |
| Fakultät: |
| Naturwissenschaftliche Fakultät |
| DDC-Sachgruppe: |
| Physik |
| Dokumentart: |
| Aufsatz |
| Sprache: |
| Englisch |
| Erstellungsjahr: |
| 2012 |
| Publikationsdatum: |
| 08.11.2012 |
| Kurzfassung in Englisch: |
| Two-dimensional hard-particle systems are rather easy to simulate but surprisingly difficult to treat by theory. Despite their importance from both theoretical and experimental points of view, theoretical approaches are usually qualitative or at best semi-quantitative. Here, we present a density functional theory based on the ideas of fundamental measure theory for two-dimensional hard-disk mixtures, which allows for the first time an accurate description of the structure of the dense fluid and the equation of state for the solid phase within the framework of density functional theory. The properties of the solid phase are obtained by freely minimizing the functional. |
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