ME 697R Lecture 3.5: Molecular Dynamics - Autocorrelation Function and Transport Properties
ME 697R Lecture 3.5: Molecular Dynamics - Autocorrelation Function and Transport Properties
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1. Lecturre 3.5: Autocorrelation …
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2. Correlation Functions
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3. Example: Sinusoidal Function
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4. Analytical Solution for Autoco…
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5. Implementation in MD
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6. Back to the Sinusoidal Example
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7. Green-Kubo Relations for Trans…
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8. Velocity-Velocity Autocorrelat…
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9. Phonon Density of States
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10. Heat Current
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11. Green-Kubo Relation for Therma…
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12. Ensemble Average
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13. EMD on Solid Argon
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14. Truncation Errors and Averagin…
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15. Exponential fitting of the HCA…
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16. Applications of GK-MD in calcu…
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17. Simulation Domain Size Effect
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18. Uncertainty: HCACF and k Distr…
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19. A Universal Relation of the Un…
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