ME 697R Lecture 3.6: Molecular Dynamics - Non-equilibrium MD

By Xiulin Ruan

Mechanical Engineering, Purdue University, West Lafayette, IN

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  • Xiulin Ruan (2019), "ME 697R Lecture 3.6: Molecular Dynamics - Non-equilibrium MD," https://nanohub.org/resources/31250.

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2004 Mechanical Engineering, Purdue University, West Lafayette, IN

ME 697R Lecture 3.6: Molecular Dynamics - Non-equilibrium MD
  • Lecture 3.6: Non-equilibrium MD 1. Lecture 3.6: Non-equilibrium M… 0
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  • Non-equilibrium Method 2. Non-equilibrium Method 21.55488822155489
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  • Method 1: Constant Temperature Gradient 3. Method 1: Constant Temperature… 128.661995328662
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  • Method 2: Constant Heat Current 4. Method 2: Constant Heat Curren… 338.10477143810476
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  • A Few Things to Check 5. A Few Things to Check 432.99966633299971
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  • Domain Size Effect of NEMD 6. Domain Size Effect of NEMD 717.95128461795127
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  • Extrapolation Technique 7. Extrapolation Technique 888.08808808808817
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  • Thermal Rectification in Asymmetric Structures 8. Thermal Rectification in Asymm… 1205.4054054054054
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