Radial distribution function: Difference between revisions

Revision as of 15:53, 28 March 2006

Revision as of 19:41, 25 July 2006

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{{cleanup-date|March 2006}}

In [[computational mechanics]] and [[statistical mechanics]], a '''radial distribution function''' (RDF), ''g''(''r''), describes anhow averagethe density of surrounding matter varies as a function of radiusthe normalizeddistance byfrom thea averagedistinguished densitypoint. Considering anThis atomis tonormalized beby locatedthe ataverage itsdensity center,such forthat anthe amorphousfunction solidgoes withto atoms1 offar radiusfrom &sigma;the distinguished point when the densitymedium ofis particleseven forslightly radiidisordered. ''r''<2 &sigma;Locating willour bedistinguished ''g''(''r'')point =at 0.the Allcenter particlesof touchinga thathard-core particle will be atwith radius 2&sigma;. As ''r'' increases, though, ''g''(''r'') will= converge0 onfor 1''r'' because< at a distance any adjacency effects will go to zero&sigma;.

Given ana [[energy potential functionenergy]] function, the energyradial ofdistribution a volumefunction can be determinedfound fromvia the radial distribution functionsampling.

What makes the RDF important is that for certain systems it can be used to calculate most thermodynamically interesting quantities, such as the average energy U or entropy S.

--[[User:Frobnitzem|Frobnitzem]] 19:41, 25 July 2006 (UTC) David Rogers

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