Predicting temp. at which defects will set in

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SUMMARY

This discussion focuses on calculating the temperature at which defects, such as twins and anti-phase boundaries, become significant in bulk solids. The participant, Sam, mentions obtaining surface energy values like 1.0 meV/Angstrom² and seeks guidance on determining the temperature correlating to defect presence. The conversation highlights the complexity of applying classical statistical mechanics to extended defects, emphasizing the ambiguity of the term "equilibrium" in this context.

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sam_bell
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Hi,

I am calculating surface energies for different kinds of defects in a bulk solid (e.g. twins, anti-phase boundaries, etc.) Let's say I get something like (just making this up) 1.0 meV/Angstrom^2. How would I calculate the temperature at which an appreciable number of said defect would be present in the sample? Classically, you have something like k_B T energy available per mode. But I get confused thinking about what might constitute a mode when talking about surface defects forming in a bulk crystal.

Thanks for suggestions,
Sam
 
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I'm not aware of any statistical mechanical model that gives "equilibrium" number of "extended" defects (anything different than point defects) at a given temperature. Even the word "equilibrium" may not be appropriate here.
 

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