Probability of n position occupied by atoms

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SUMMARY

This discussion focuses on calculating the probability of n interstitial positions occupied by atoms in a lattice structure, specifically when considering large N and temperature effects. The key equations referenced include NCn and n=E/ε, which are essential for determining the arrangement of atoms. The probability function P(n) is derived from combinatorial principles, specifically using the formula P(n)=1/2n(N!/n!(N-n)!), and the canonical ensemble approach is applied to find the microstate probabilities. The relationship between energy levels of lattice positions and interstitial positions is also clarified, establishing that εL < εI.

PREREQUISITES
  • Understanding of statistical mechanics and canonical ensembles
  • Familiarity with combinatorial mathematics, specifically permutations and combinations
  • Knowledge of lattice structures in solid-state physics
  • Basic concepts of thermodynamics related to energy states
NEXT STEPS
  • Study the canonical ensemble in statistical mechanics for deeper insights into microstate probabilities
  • Explore combinatorial methods for calculating arrangements in multi-particle systems
  • Research the effects of temperature on atomic occupancy in lattice structures
  • Learn about the implications of energy states in solid-state physics, particularly in relation to interstitial sites
USEFUL FOR

Students and researchers in physics, particularly those focused on solid-state physics, statistical mechanics, and thermodynamics, will benefit from this discussion. It is also relevant for anyone studying atomic arrangements and energy states in crystalline materials.

hansbahia
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Homework Statement



If you have atoms that are normally located at the normal lattice positions or at an interstitial position where energy >ε, how can I find the probability that n interstitial positions are occupied by atoms?
If we were to use large N how can I find the fraction of interstitial sites that are occupied as a function of the temperature?
How do I find the microstate?


Homework Equations



NCn
n=E/ε

The Attempt at a Solution


Assuming that there are N normal locations and N interstitial locations and the energy of an atom in a normal lattice position can be set to 0
I know that # of ways to arrange the intersticial atoms is N!/n!(N-n)!
from there I don't know how to calculate de microstate nor the probability
I attempted at a solution of random variables therefore
P(n)=1/2n(N!/n!(N-n)!
 
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The way I understand the question is that for each atom, you can either be at the lattice position with energy εL or at an interstitial position with energy εI, εLI. Is that right? If it is, then each microstate is just of the form L,L,L,I,L,..., telling the position of each atom. The corresponding probability you get from the usual canonical ensemble consideration,
p = \frac{1}{Z} e^{-\beta E}
and a probability for each macrostate you get using combinatorics, as you already guessed.
 

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