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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 ¹ j å • ρ is the density N/ Ω 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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This note was uploaded on 08/08/2011 for the course PHZ 5156 taught by Professor Johnson,m during the Fall '08 term at University of Central Florida.
 Fall '08
 Johnson,M

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