Lennard-Jones fluids in cavities
Static and dynamic properties of Lennard-Jones particle in spherical cavities of molecular dimensions are studied by molecular dynamics (MD) simulation. The local density is a function of the radial coordinate; a layered density profile is reproduced by the iterative solution of an approximate BGY e...
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| Veröffentlicht in: | International Journal of Thermophysics; (USA) 1989-03, Vol.10 (2), p.469-478 |
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| container_end_page | 478 |
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| container_issue | 2 |
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| container_title | International Journal of Thermophysics; (USA) |
| container_volume | 10 |
| creator | Bug, A. L. R. |
| description | Static and dynamic properties of Lennard-Jones particle in spherical cavities of molecular dimensions are studied by molecular dynamics (MD) simulation. The local density is a function of the radial coordinate; a layered density profile is reproduced by the iterative solution of an approximate BGY equation. The pair correlation function exhibits a broadened first-neighbor peak and a second-neighbor peak which is shifted inward from its location in the homogeneous fluid. The viscosity, as measured by the relaxation of a rotor in the cavity, is a function of the cavity radius and may actually decrease as the cavity radius decreases. This qualitative trend is reversed when the smooth cavity is replaced by a cavity with rough, molecular walls. |
| doi_str_mv | 10.1007/BF01133543 |
| format | Article |
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This qualitative trend is reversed when the smooth cavity is replaced by a cavity with rough, molecular walls.</description><identifier>ISSN: 0195-928X</identifier><identifier>EISSN: 1572-9567</identifier><identifier>DOI: 10.1007/BF01133543</identifier><language>eng</language><publisher>United States</publisher><subject>420400 -- Engineering-- Heat Transfer & Fluid Flow ; ATOMS ; CAVITIES ; COMPUTERIZED SIMULATION ; CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ; CORRELATION FUNCTIONS ; CRYSTAL LATTICES ; CRYSTAL STRUCTURE ; CUBIC LATTICES ; DENSITY ; DIFFUSION ; DIMERS ; ENGINEERING ; FCC LATTICES ; FLUID MECHANICS ; FLUIDS ; FUNCTIONS ; HYDRODYNAMICS ; ITERATIVE METHODS ; LENNARD-JONES POTENTIAL ; LIQUIDS ; MATERIALS ; MATHEMATICAL MODELS ; MECHANICS ; MOLECULES ; MOTION ; PHYSICAL PROPERTIES ; POROUS MATERIALS ; POTENTIALS ; RELAXATION TIME ; ROTATION ; ROUGHNESS ; SIMULATION ; SURFACE PROPERTIES 656002 -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)</subject><ispartof>International Journal of Thermophysics; (USA), 1989-03, Vol.10 (2), p.469-478</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c258t-8271e502a99a27688923147455fba11ea57d0e93a4abdccd7e71918ef3ff359e3</citedby><cites>FETCH-LOGICAL-c258t-8271e502a99a27688923147455fba11ea57d0e93a4abdccd7e71918ef3ff359e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,309,310,314,776,780,785,786,881,23909,23910,25118,27901,27902</link.rule.ids><backlink>$$Uhttps://www.osti.gov/biblio/5551723$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Bug, A. L. R.</creatorcontrib><title>Lennard-Jones fluids in cavities</title><title>International Journal of Thermophysics; (USA)</title><description>Static and dynamic properties of Lennard-Jones particle in spherical cavities of molecular dimensions are studied by molecular dynamics (MD) simulation. The local density is a function of the radial coordinate; a layered density profile is reproduced by the iterative solution of an approximate BGY equation. The pair correlation function exhibits a broadened first-neighbor peak and a second-neighbor peak which is shifted inward from its location in the homogeneous fluid. The viscosity, as measured by the relaxation of a rotor in the cavity, is a function of the cavity radius and may actually decrease as the cavity radius decreases. 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L. R.</creator><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>198903</creationdate><title>Lennard-Jones fluids in cavities</title><author>Bug, A. L. R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c258t-8271e502a99a27688923147455fba11ea57d0e93a4abdccd7e71918ef3ff359e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1989</creationdate><topic>420400 -- Engineering-- Heat Transfer & Fluid Flow</topic><topic>ATOMS</topic><topic>CAVITIES</topic><topic>COMPUTERIZED SIMULATION</topic><topic>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</topic><topic>CORRELATION FUNCTIONS</topic><topic>CRYSTAL LATTICES</topic><topic>CRYSTAL STRUCTURE</topic><topic>CUBIC LATTICES</topic><topic>DENSITY</topic><topic>DIFFUSION</topic><topic>DIMERS</topic><topic>ENGINEERING</topic><topic>FCC LATTICES</topic><topic>FLUID MECHANICS</topic><topic>FLUIDS</topic><topic>FUNCTIONS</topic><topic>HYDRODYNAMICS</topic><topic>ITERATIVE METHODS</topic><topic>LENNARD-JONES POTENTIAL</topic><topic>LIQUIDS</topic><topic>MATERIALS</topic><topic>MATHEMATICAL MODELS</topic><topic>MECHANICS</topic><topic>MOLECULES</topic><topic>MOTION</topic><topic>PHYSICAL PROPERTIES</topic><topic>POROUS MATERIALS</topic><topic>POTENTIALS</topic><topic>RELAXATION TIME</topic><topic>ROTATION</topic><topic>ROUGHNESS</topic><topic>SIMULATION</topic><topic>SURFACE PROPERTIES 656002 -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Bug, A. L. R.</creatorcontrib><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>International Journal of Thermophysics; (USA)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Bug, A. L. R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Lennard-Jones fluids in cavities</atitle><jtitle>International Journal of Thermophysics; (USA)</jtitle><date>1989-03</date><risdate>1989</risdate><volume>10</volume><issue>2</issue><spage>469</spage><epage>478</epage><pages>469-478</pages><issn>0195-928X</issn><eissn>1572-9567</eissn><abstract>Static and dynamic properties of Lennard-Jones particle in spherical cavities of molecular dimensions are studied by molecular dynamics (MD) simulation. The local density is a function of the radial coordinate; a layered density profile is reproduced by the iterative solution of an approximate BGY equation. The pair correlation function exhibits a broadened first-neighbor peak and a second-neighbor peak which is shifted inward from its location in the homogeneous fluid. The viscosity, as measured by the relaxation of a rotor in the cavity, is a function of the cavity radius and may actually decrease as the cavity radius decreases. This qualitative trend is reversed when the smooth cavity is replaced by a cavity with rough, molecular walls.</abstract><cop>United States</cop><doi>10.1007/BF01133543</doi><tpages>10</tpages></addata></record> |
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| identifier | ISSN: 0195-928X |
| ispartof | International Journal of Thermophysics; (USA), 1989-03, Vol.10 (2), p.469-478 |
| issn | 0195-928X 1572-9567 |
| language | eng |
| recordid | cdi_osti_scitechconnect_5551723 |
| source | Springer Nature - Complete Springer Journals |
| subjects | 420400 -- Engineering-- Heat Transfer & Fluid Flow ATOMS CAVITIES COMPUTERIZED SIMULATION CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY CORRELATION FUNCTIONS CRYSTAL LATTICES CRYSTAL STRUCTURE CUBIC LATTICES DENSITY DIFFUSION DIMERS ENGINEERING FCC LATTICES FLUID MECHANICS FLUIDS FUNCTIONS HYDRODYNAMICS ITERATIVE METHODS LENNARD-JONES POTENTIAL LIQUIDS MATERIALS MATHEMATICAL MODELS MECHANICS MOLECULES MOTION PHYSICAL PROPERTIES POROUS MATERIALS POTENTIALS RELAXATION TIME ROTATION ROUGHNESS SIMULATION SURFACE PROPERTIES 656002 -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-) |
| title | Lennard-Jones fluids in cavities |
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