Interaction potentials for soft and hard ellipsoids
Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type but have a well-defined microscopic interpretation and no a...
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| Published in: | Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics Vol. 67; no. 4 Pt 1; p. 041710 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
01-04-2003
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| Online Access: | Get full text |
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| Summary: | Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type but have a well-defined microscopic interpretation and no adjustable parameters. Since our potentials require the calculation of similar variables, the modification of existing simulation codes for Gay-Berne potentials is straightforward. The computational performance should remain unaffected. |
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| Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 1539-3755 1063-651X 1095-3787 |
| DOI: | 10.1103/physreve.67.041710 |