Springs, Normal Modes, and Center of Mass coordinates

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SUMMARY

The discussion centers on solving the problem of normal modes in a linear triatomic molecule using internal coordinates. The key steps involve transforming the potential and kinetic energy expressions into internal coordinates defined as y_{1} = x_{2} - x_{1} and y_{2} = x_{3} - x_{2}. The constraint of a stationary center of mass is applied to eliminate one coordinate, specifically x_{2}, leading to a simplified system of equations. The final goal is to express the kinetic energy T in terms of the new coordinates, which is crucial for solving the characteristic equation.

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  • Understanding of classical mechanics principles, particularly normal modes.
  • Familiarity with the concept of center of mass and its implications in mechanics.
  • Proficiency in tensor notation and transformations in physics.
  • Ability to manipulate algebraic expressions and solve equations involving multiple variables.
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  • Learn about the derivation of normal modes in triatomic molecules using internal coordinates.
  • Study the application of the center of mass constraint in mechanical systems.
  • Explore tensor representation of potential and kinetic energy in classical mechanics.
  • Investigate the transformation techniques for converting Cartesian coordinates to internal coordinates.
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Students and professionals in physics, particularly those focusing on classical mechanics, molecular dynamics, and anyone involved in the study of vibrational modes in triatomic systems.

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[SOLVED] Springs, Normal Modes, and Center of Mass coordinates

1.) Problem

The problem of the linear triatomic molecule can be reduced to one of two degrees of freedom by introducing coordinates y_{1} = x_{2} - x_{1}, y_{2} = x_{3} - x_{2}, and eliminating x_{2} by requiring that the center of mass remain at rest. Obtain the frequencies of the normal modes in these coordinates and show that they agree with the results of Section 6.4.

-Classical Mechanics, Goldstein, 3rd Edition, pg 272

2.) Useful Formulae and Context

I've attached a picture I drew of the set-up.

In section 6.4, the normal modes of the triatomic molecule are found by

1. writing out the potential and kinetic energy,
2. converting to coordinates relative to the equilibrium positions,
3. expressing them (V and T) as tensors, and
4. solving the characteristic equation |V - \omega^{2} T| = 0

Explicitly,

V = \frac{k}{2} (x_{2} - x_{1} - b)^{2} + \frac{k}{2} (x_{3} - x_{2} - b)^{2}

The coordinates relative to the equilibrium positions are introduced:

\eta_{i} = x_{i} - x_{0i}

where

x_{02} - x_{01} = b = x_{03} - x_{02}

So the potential energy becomes,

V = \frac{k}{2} (\eta_{2} - \eta_{1})^{2} + \frac{k}{2} (\eta_{3} - \eta_{2})^{2}
V = \frac{k}{2} (\eta_{1}^{2} + 2\eta_{2}^{2} + \eta_{3}^{2} - 2\eta_{1}\eta_{2} - 2\eta_{2}\eta_{3})

which can pretty easily be written in tensor form. A similar thing is done with kinetic energy.

3.) Attempt at the Solution

Goldstein writes that we should impose the constraint that "the center of mass remain stationary at the origin:"

m(x_{1} + x_{3}) + M x_{2} = 0

and that this equation should be used to eliminate one of the coordinates from V and T.

Clearly, this coordinate should be x_{2}, since it appears in both y_{1}, y_{2}, right? I've scribbled and rearranged these equations over and over, and can't figure out how express V and T only in terms of y_{1}, y_{2}.

The "Center of Mass" is described by:

R = \frac{\sum m_{i} x_{i}}{\sum m_{i}} = \frac{m(x_{1} + x_{3}) + M x_{2}}{2m + M}

How does knowing this help me? If someone could just point the way, or give me the smallest hint, I'm sure I could push this through - I'm just having a block on this. Thanks!
 

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Let me just add specifically some steps I've taken:

R = \frac{\sum m_{i} x_{i}}{\sum m_{i}} = \frac{m(x_{1} + x_{3}) + M x_{2}}{2m + M} = 0
\rightarrow m(x_{1} + x_{3}) + M x_{2} = 0
\rightarrow x_{2} = - \frac{m}{M} (x_{1} + x_{3})

Now using,

y_{1} = x_{2} - x_{1}
y_{2} = x_{3} - x_{2}

I should be able to find some combination of those that would give me:

x_{1} + x_{3}

so that I could insert it into the equation up above for x_{2}, thereby eliminating it. But I can't find such a combination.
 
Last edited:
Hi all - it's been a week, and I still haven't made any progress on this problem.

There must be some simple algebra trick I'm missing here. Or maybe my method is completely off? Any thoughts at all?
 
Progress Report

Alright, I was clearly looking at this incorrectly. (Perhaps that's why I've had 120+ views, and zero replies in almost 2 weeks.)

Again, the given equations:

Energies for Triatomic Model in Cartesian Coordinates:
V=\frac{k}{2}(x_{2}-x_{1}-b)^{2}+\frac{k}{2}(x_{3}-x_{2}-b)^{2}
T=\frac{m}{2}(\dot{x_{1}}^{2}+\dot{x_{3}}^{2})+\frac{M}{2}\dot{x_{2}}^{2}

Transformation to Internal Coordinates:
y_{1}=x_{2}-x_{1}
y_{2}=x_{3}-x_{2}

Stipulation of Stationary Center of Mass:
m(\dot{x_{1}}+\dot{x_{3}})+M(\dot{x_{2}})=0

Now, transforming V to internal coordinates is easy if you apply a new transformation:
y_{1}-b=\gamma_{1}
y_{2}-b=\gamma_{2}

So we have,
V=\frac{k}{2}(\gamma_{1}^{2}+\gamma_{2}^{2})

or, written as a tensor:
\bar{V}=\frac{k}{2}\left( \begin{array}{cc} 1 & 0 \\ 0 & 1 \end{array} \right)

The Kinetic Energy is where I'm having trouble. Can anyone help me transform \dot{x_{1}},\dot{x_{2}},\dot{x_{3}} to \dot{\gamma_{1}},\dot{\gamma_{2}}? I have pages of work, and I've seem to be getting no where. If no one is replying because I'm breaking a rule, could someone let me know, too? Thanks much!
 
Alright, it took 5 more pages of algebra, but I got it.
 


Can u help me how u solved it? its due tomorrow, so please respond asap. how did u express T in terms of gammas?

thanks in advance
 


Solve for x3 and x1 in terms of y1, y2, and x2. Then plug into center of mass equation and solve for x2. You then can get x1, x2, and x3 in terms of y1 and y2. Then plug away...
 

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