1549380323-Statistical Mechanics Theory and Molecular Simulation

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42 Classical mechanics


inthe body-fixed frame. A similar relation can be derived for the time derivative of
the positionr 2 of atom 2. Indeed, eqn. (1.11.18) applies to the time derivative of any
arbitrary vectorG: (
dG
dt


)


space

=


(


dG
dt

)


body

+ω×G. (1.11.19)

Although it is possible to obtain eqn. (1.11.19) from a general consideration of rota-
tional motion, we content ourselves here with this physically motivated approach.
Consider, next, the force term−∂U/∂θ. This is also a component of a vector
quantity known as thetorqueabout thez-axis. In general,τis defined by


τ=r×F. (1.11.20)

Again, because the motion is entirely in thexy-plane, there is noz-component of the
force, and the only nonvanishing component of the torque is thez-component given
by


τz=xFy−yFx

=−dcosθ

∂U


∂y
+dsinθ

∂U


∂x

=−dcosθ

∂U


∂θ

∂θ
∂y

+dsinθ

∂U


∂θ

∂θ
∂x

, (1.11.21)


where the chain rule has been used in the last line. Sinceθ= tan−^1 (y/x), the two
derivatives ofθcan be worked out as


∂θ
∂y

=


1


1 + (y/x)^2

1


x

=


x
x^2 +y^2

=


cosθ
d

∂θ
∂x

=


1


1 + (y/x)^2

(



y
x^2

)


=−


y
x^2 +y^2

=−


sinθ
d

. (1.11.22)


Substitution of eqn. (1.11.22) into eqn. (1.11.21) gives


τz=−

∂U


∂θ

(


dcosθ
cosθ
d

+dsinθ
sinθ
d

)


=−


∂U


∂θ

(


cos^2 θ+ sin^2 θ

)

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