[Illinois] PHYS466 2013 Lecture 23: Kinetic Monte Carlo

By David M. Ceperley

Department of Physics, University of Illinois at Urbana-Champaign, Urbana, IL

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Researchers should cite this work as follows:

  • David M. Ceperley (2013), "[Illinois] PHYS466 2013 Lecture 23: Kinetic Monte Carlo," https://nanohub.org/resources/18091.

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University of Illinois, Urbana-Champaign, IL

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NanoBio Node, George Michael Daley

University of Illinois at Urbana-Champaign

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[Illinois] PHYS 466 Lecture 23: Kinetic Monte Carlo
  • Kinetic Monte Carlo: Class of problems 1. Kinetic Monte Carlo: Class of … 0
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  • The Master Equation: stochastic dynamics 2. The Master Equation: stochasti… 177.58403513537991
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  • How to simulate? Simple approach 3. How to simulate? Simple approa… 345.87507926442612
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  • The Master Equation: stochastic dynamics 4. The Master Equation: stochasti… 355.1727964489537
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  • N-fold way Bortz, Kalos, Lebowitz, 1975 5. N-fold way Bortz, Kalos, Lebow… 470.34051997463541
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  • Kinetic Monte Carlo (KMC) 6. Kinetic Monte Carlo (KMC) 948.36715282181353
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  • Example of KMC - Vacancy Mediated Diffusion 7. Example of KMC - Vacancy Media… 1179.3224476854789
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  • Example of KMC - Vacancy Mediated Diffusion 8. Example of KMC - Vacancy Media… 1342.0944831959418
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  • Example of KMC - Vacancy Mediated Diffusion 9. Example of KMC - Vacancy Media… 1473.626188966392
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  • Example of KMC - Vacancy Mediated Diffusion 10. Example of KMC - Vacancy Media… 1636.3982244768547
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  • Example of KMC - Vacancy Mediated Diffusion 11. Example of KMC - Vacancy Media… 1749.5824350031708
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  • Example of KMC - Vacancy Mediated Diffusion 12. Example of KMC - Vacancy Media… 1806.980342422321
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  • Kinetic Monte Carlo vs. MD 13. Kinetic Monte Carlo vs. MD 1897.8500317057706
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  • Kinetic Monte Carlo vs. MD 14. Kinetic Monte Carlo vs. MD 2173.1864299302474
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  • Example: Adatom surface diffusion on Al(100) 15. Example: Adatom surface diffus… 2341.5370957514265
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  • Example of KMC - Vacancy Mediated Diffusion 16. Example of KMC - Vacancy Media… 2502.5735573874445
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