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Unformatted text preview: Heat capacity C = H 2H 2 k B T 2 Angle brackets thermal average In MD, thermal averages done by time average Heat capacity given by fluctuations in total energy Radial distribution function g ( r ) = 1 r N d rr ij ( ) i j is the density N/ 2200 Diracdelta defined numerically (not infinitely sharp) In an ideal gas, g(r) =1 In a liquid, g(r) =1 at long ranges, short range structure In a crystal, g( r) has sharp peaks, longrange order...
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 Fall '08
 Johnson,M

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