Simulations Using Hard Particles
A short review is given of recent progress in the computer simulation of liquid crystal phases using hard particles. Emphasis is placed on the richness of phase behaviour that may result from the effects of molecular size and shape alone, and on the role of simulations in testing modern theories of...
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| Veröffentlicht in: | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 1993-08, Vol.344 (1672), p.323-337 |
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| container_end_page | 337 |
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| container_issue | 1672 |
| container_start_page | 323 |
| container_title | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences |
| container_volume | 344 |
| creator | Allen, Michael P. |
| description | A short review is given of recent progress in the computer simulation of liquid crystal phases using hard particles. Emphasis is placed on the richness of phase behaviour that may result from the effects of molecular size and shape alone, and on the role of simulations in testing modern theories of liquid crystal phase transitions, structure and dynamics. Two specific examples are treated in detail: the simulation of twisted nematic liquid crystals, allowing a direct calculation of the twist elastic constant and the helical twisting power of chiral dopant molecules; and the recent quantitative explanation of diffusive behaviour in isotropic and nematic liquids using kinetic theory. |
| doi_str_mv | 10.1098/rsta.1993.0093 |
| format | Article |
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Emphasis is placed on the richness of phase behaviour that may result from the effects of molecular size and shape alone, and on the role of simulations in testing modern theories of liquid crystal phase transitions, structure and dynamics. 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Two specific examples are treated in detail: the simulation of twisted nematic liquid crystals, allowing a direct calculation of the twist elastic constant and the helical twisting power of chiral dopant molecules; and the recent quantitative explanation of diffusive behaviour in isotropic and nematic liquids using kinetic theory.</description><subject>Computer simulation</subject><subject>Ellipsoids</subject><subject>Fluids</subject><subject>Free energy</subject><subject>Kinetic theory</subject><subject>Liquid crystals</subject><subject>Liquids</subject><subject>Molecules</subject><subject>Phase diagrams</subject><subject>Phase transitions</subject><subject>Self-Organization in Anisotropic Molecular Fluids</subject><issn>1364-503X</issn><issn>0962-8428</issn><issn>1471-2962</issn><issn>2054-0299</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1993</creationdate><recordtype>article</recordtype><recordid>eNp9T09LwzAUL6LgnF49eNoX6HwvSdPlJGOoEwaK28BbSNt0y-jakbTK_PSmqwhD9PTe4_3-BsE1whBBjG6tq9UQhaBDAEFPgh6yGEMiODn1O-UsjIC-nQcXzm0AEHlEesFgbrZNoWpTlW6wdKZcDabKZoMXZWuTFtpdBme5Kpy--p79YPlwv5hMw9nz49NkPAtTRuM6VAozCpwmsWI5SwTRQgFPEuREEBblGAlFgUCmRphw0FkCXDPBVaxQxErTfjDsdFNbOWd1LnfWbJXdSwTZ9pNtP9n2k20_T3AdwVZ7H6xKja73clM1tvSnfJ0vxh4M75QxgzwmEkYUIUKCVH6a3UGuBUgPkMa5RssD7Njmtyv9z_XPrDcda-Pqyv40ixjwyD-he67Nav1hrJZH2v7YebE25SEfJa3e3b-U1j2tylqX9RFR5k1RyF2W0y_hZqoP</recordid><startdate>19930816</startdate><enddate>19930816</enddate><creator>Allen, Michael P.</creator><general>The Royal Society</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>19930816</creationdate><title>Simulations Using Hard Particles</title><author>Allen, Michael P.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c437t-aa1d3063b7a4f4b92e9a06bb1629245f159a3020da81b60edb06e496a7a197ae3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1993</creationdate><topic>Computer simulation</topic><topic>Ellipsoids</topic><topic>Fluids</topic><topic>Free energy</topic><topic>Kinetic theory</topic><topic>Liquid crystals</topic><topic>Liquids</topic><topic>Molecules</topic><topic>Phase diagrams</topic><topic>Phase transitions</topic><topic>Self-Organization in Anisotropic Molecular Fluids</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Allen, Michael P.</creatorcontrib><collection>CrossRef</collection><jtitle>Philosophical transactions of the Royal Society of London. 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| identifier | ISSN: 1364-503X |
| ispartof | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 1993-08, Vol.344 (1672), p.323-337 |
| issn | 1364-503X 0962-8428 1471-2962 2054-0299 |
| language | eng |
| recordid | cdi_crossref_primary_10_1098_rsta_1993_0093 |
| source | JSTOR Mathematics & Statistics; JSTOR Archive Collection A-Z Listing |
| subjects | Computer simulation Ellipsoids Fluids Free energy Kinetic theory Liquid crystals Liquids Molecules Phase diagrams Phase transitions Self-Organization in Anisotropic Molecular Fluids |
| title | Simulations Using Hard Particles |
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