ME 697R Lecture 3.4: Molecular Dynamics - Boundary and Initial Conditions

By Xiulin Ruan

Mechanical Engineering, Purdue University, West Lafayette, IN

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Researchers should cite this work as follows:

  • Xiulin Ruan (2019), "ME 697R Lecture 3.4: Molecular Dynamics - Boundary and Initial Conditions," https://nanohub.org/resources/31248.

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2004 Mechanical Engineering, Purdue University, West Lafayette, IN

ME 697R Lecture 3.4: Molecular Dynamics - Boundary and Initial Conditions
  • Lecture 3.4: Boundary and Initial Conditions 1. Lecture 3.4: Boundary and Init… 0
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  • Boundary Conditions 2. Boundary Conditions 20.95428762095429
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  • Periodic Boundary Conditions 3. Periodic Boundary Conditions 141.87520854187522
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  • Periodic Boundary Conditions 4. Periodic Boundary Conditions 211.87854521187856
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  • Periodic Boundary Conditions 5. Periodic Boundary Conditions 350.78411745078415
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  • Minimum Cell Size 6. Minimum Cell Size 497.86453119786455
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  • Other Boundary Conditions 7. Other Boundary Conditions 665.63229896563234
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  • Initial Positions of Atoms 8. Initial Positions of Atoms 829.12912912912918
    00:00/00:00
  • Initial Velocities 9. Initial Velocities 929.92992992992993
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  • Velocity Equilibration: Procedure 10. Velocity Equilibration: Proced… 1104.4377711044378
    00:00/00:00
  • Reaching Equilibration 11. Reaching Equilibration 1314.8815482148816
    00:00/00:00
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