Calculating maximum amplitude of atomic vibrations

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Discussion Overview

The discussion revolves around the theoretical prediction of the maximum amplitude of atomic vibrations in metallic species, specifically Copper, at a given temperature. Participants explore various models of atomic vibrations, including the Einstein and Debye models, while addressing the concept of maximum amplitude versus average amplitude.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • One participant questions the possibility of predicting the maximum amplitude of atomic vibrations at a specific temperature.
  • Another participant explains that while average energy and amplitude can be calculated using the Einstein model, the concept of maximum amplitude is more complex and potentially unbounded.
  • The Debye model is introduced as an improvement over the Einstein model, accounting for interactions between oscillators, but is noted to be more complex to apply.
  • A participant suggests that energy fluctuations in a crystal at constant temperature imply that while maximum amplitudes are statistically possible, they are unlikely to occur in practice.
  • There is a clarification that there is no definitive 'maximum' amplitude since all amplitudes are statistically possible, leading to a consensus on this point.
  • Another participant raises questions about the nature of atomic vibrations, including kinetic energy, heat dissipation, and the relationship between velocity and amplitude.

Areas of Agreement / Disagreement

Participants generally agree that there is no definitive maximum amplitude of atomic vibrations, as all amplitudes are statistically possible. However, there is ongoing exploration and questioning regarding the underlying mechanics of atomic vibrations and their implications.

Contextual Notes

The discussion includes assumptions about the statistical nature of atomic vibrations and the limitations of the models discussed, particularly in relation to temperature effects and the complexity of interactions between atoms.

nandugopan
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Is it possible to predict theoretically the maximum amplitude of vibration that atoms of a metallic species, like Copper, will exhibit at a given temperature?
 
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Well, I'm not sure about maximum amplitude of vibration. It is possible to calculate average energy per atom and thus average amplitude of vibration.

Einstein used a simplified model, in which each atom represents three harmonic oscillators (for the three dimensions). All the oscillators are considered independent. This independence can't be correct of course, but the model still gives rather good predictions, except for very low temperatures. The average energy (that is per atom, per dimension) turns out to be:
[tex]\frac{1}{2}\hbar\omega+\frac{\hbar\omega}{e^{\frac{\hbar\omega}{kT}}-1}[/tex]

Debye improved on this model by taking into account that the oscillators affect each other. Now oscillation of any of the atoms will propagate through the whole thing. Debye made some clever assumptions which allowed him to solve the equations that arise in this situation. His result for the average energy (again per atom, per dimension) was
[tex]\frac{3}{8}\hbar\omega_D+\frac{3\hbar}{\omega_D^3}\int_0^{\omega_D}\frac{\omega^3}{e^{\frac{\hbar\omega}{kT}}-1}[/tex]
with
[tex]\omega_D^3=6\pi^2\frac{N}{V}\overline{v}^3[/tex].
[tex]\overline{v}[/tex] is the average velocity of the propagating waves in the crystal, N the number of atoms and V the volume.

As you may notice Debye's method is a little harder to use. So, when you're not dealing with very low temperatures, you might as well use Einstein's results. I'll leave it to you to calculate the amplitude from these results.

Also, see http://en.wikipedia.org/wiki/Debye_model" for some more information about both models.
 
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Thank you Mr.Miyagi for your reply, but I am interested in calculating the maximum possible amplitude of atomic vibrations.
 
Well, it is unbounded. The fact is that the energy of the crystal fluctuates at a constant temperature, as does any system in a heat bath. Noticeable fluctuations almost never occur, but they can happen.

So, worst case scenario: the copper samples disintegrates right in your face, because a huge energy fluctuation occurred. But for this to happen you have to wait for a long, long, long time (on average!).
 
Thank you Mr.Miyagi. So there can be no 'maximum' amplitude as all amplitudes are statistically possible. Is that right?
 
That is correct.
 
why? why atoms vibrate?
by vibration the atoms are moving. so there must be a kinetic energy. so there must be dissipated heat? what is the velocity of an atom when it is vibrating? what is the amplitude? or displacemet?
 

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