ME 697R Lecture 2.3B: Lattice Dynamics - Crystal Binding and Interatomic Potentials

By Xiulin Ruan

Mechanical Engineering, Purdue University, West Lafayette, IN

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  • Xiulin Ruan (2019), "ME 697R Lecture 2.3B: Lattice Dynamics - Crystal Binding and Interatomic Potentials," https://nanohub.org/resources/31117.

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2004 Mechanical Engineering, Purdue University, West Lafayette, IN

ME 697R Lecture 2.3B: Lattice Dynamics - Crystal Binding and Interatomic Potentials
  • ME 697R: Computational Methods for Nanoscale Energy Transport Chapter 2: Lattice Dynamics Section 2.3: Crystal Binding and Interatomic Potentials Reading: Kittel, pp. 54-79 Xiulin Ruan School of Mechanical Engineering Purdue University 1. ME 697R: Computational Methods… 0
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  • Chemical Bond in a Crystal 2. Chemical Bond in a Crystal 49.115782449115784
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  • van der Waals Interaction 3. van der Waals Interaction 51.384718051384723
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  • Lennard-Jones (L-J) potential model 4. Lennard-Jones (L-J) potential … 114.24758091424758
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  • Cohesive Energy of the Lattice 5. Cohesive Energy of the Lattice 139.40607273940609
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  • Equilibrium Lattice Constant 6. Equilibrium Lattice Constant 141.00767434100769
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  • van der Waals Interactions in Graphite 7. van der Waals Interactions in … 439.17250583917252
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  • van der Waals Interactions in Other 2D Materials 8. van der Waals Interactions in … 700.33366700033366
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  • Graphene or CNT Supported on Substrates 9. Graphene or CNT Supported on S… 902.16883550216892
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  • Ionic Bond 10. Ionic Bond 1180.613947280614
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  • Coulomb Interaction and Potential Model 11. Coulomb Interaction and Potent… 1318.7854521187855
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  • Total Potential Energy for an Ionic Bond 12. Total Potential Energy for an … 1440.9409409409409
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  • Lattice Energy of an Ionic Crystal 13. Lattice Energy of an Ionic Cry… 1645.6456456456458
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  • Equilibrium Lattice Constant 14. Equilibrium Lattice Constant 1856.4230897564232
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  • Madelung Constant 15. Madelung Constant 1987.1871871871872
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  • Buckingham Potential for Short-Range Interaction 16. Buckingham Potential for Short… 2130.4971638304974
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  • Buckingham Potential Example: SiO2 17. Buckingham Potential Example: … 2284.3843843843842
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  • Covalent Bond 18. Covalent Bond 2595.8291624958292
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  • Multi-body Potentials for Covalent Bonds 19. Multi-body Potentials for Cova… 2675.1418084751417
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  • Pair Potentials 20. Pair Potentials 2739.5729062395731
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  • Morse Potentials 21. Morse Potentials 2892.7927927927931
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  • Features of Morse Potential 22. Features of Morse Potential 3190.3236569903238
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  • Angular (Three-Body) Potentials 23. Angular (Three-Body) Potential… 3209.7764431097767
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  • Torsional (Four-Body) Potentials 24. Torsional (Four-Body) Potentia… 3328.3950617283954
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  • Stillinger Weber Potential 25. Stillinger Weber Potential 3400.800800800801
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  • Stillinger Weber Potential 26. Stillinger Weber Potential 3553.6536536536537
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  • Tersoff Potential 27. Tersoff Potential 3677.9779779779783
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  • Tersoff Potential 28. Tersoff Potential 4033.033033033033
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  • Tersoff Potential Parameters 29. Tersoff Potential Parameters 4081.7484150817486
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  • REBO Potential 30. REBO Potential 4118.5518852185523
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  • Metallic Bonds 31. Metallic Bonds 4156.1561561561566
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  • Embedded Atom Model (EAM) 32. Embedded Atom Model (EAM) 4235.8024691358023
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  • Available Interatomic Potentials in GULP 33. Available Interatomic Potentia… 4390.156823490157
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  • Available Interatomic Potentials in GULP 34. Available Interatomic Potentia… 4406.43977310644
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