Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer
We present predictions for the statistical error due to finite sampling in the presence of thermal fluctuations in molecular simulation algorithms. Specifically, we present predictions for the error dependence on hydrodynamic parameters and the number of samples taken. Expressions for the common hyd...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | en_US |
| Published: |
2003
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| Online Access: | http://hdl.handle.net/1721.1/3708 |
| _version_ | 1826208644750901248 |
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| author | Hadjiconstantinou, Nicolas G. Garcia, Alejandro L. Bazant, Martin Z. He, Gang |
| author_facet | Hadjiconstantinou, Nicolas G. Garcia, Alejandro L. Bazant, Martin Z. He, Gang |
| author_sort | Hadjiconstantinou, Nicolas G. |
| collection | MIT |
| description | We present predictions for the statistical error due to finite sampling in the presence of thermal fluctuations in molecular simulation algorithms. Specifically, we present predictions for the error dependence on hydrodynamic parameters and the number of samples taken. Expressions for the common hydrodynamic variables of interest such as flow velocity, temperature, density, pressure, shear stress and heat flux are derived using equilibrium statistical mechanics. Both volume-averaged and surface-averaged quantities are considered. Comparisons between theory and computations using direct simulation Monte Carlo for dilute gases, and molecular dynamics for dense fluids, show that the use of equilibrium theory provides accurate results. |
| first_indexed | 2024-09-23T14:08:52Z |
| format | Article |
| id | mit-1721.1/3708 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T14:08:52Z |
| publishDate | 2003 |
| record_format | dspace |
| spelling | mit-1721.1/37082019-04-12T08:09:12Z Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer Hadjiconstantinou, Nicolas G. Garcia, Alejandro L. Bazant, Martin Z. He, Gang particle simulations fluid flow heat transfer equilibrium statistical mechanics hydrodynamic parameters We present predictions for the statistical error due to finite sampling in the presence of thermal fluctuations in molecular simulation algorithms. Specifically, we present predictions for the error dependence on hydrodynamic parameters and the number of samples taken. Expressions for the common hydrodynamic variables of interest such as flow velocity, temperature, density, pressure, shear stress and heat flux are derived using equilibrium statistical mechanics. Both volume-averaged and surface-averaged quantities are considered. Comparisons between theory and computations using direct simulation Monte Carlo for dilute gases, and molecular dynamics for dense fluids, show that the use of equilibrium theory provides accurate results. Singapore-MIT Alliance (SMA) 2003-11-19T20:56:32Z 2003-11-19T20:56:32Z 2003-01 Article http://hdl.handle.net/1721.1/3708 en_US High Performance Computation for Engineered Systems (HPCES); 158385 bytes application/pdf application/pdf |
| spellingShingle | particle simulations fluid flow heat transfer equilibrium statistical mechanics hydrodynamic parameters Hadjiconstantinou, Nicolas G. Garcia, Alejandro L. Bazant, Martin Z. He, Gang Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer |
| title | Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer |
| title_full | Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer |
| title_fullStr | Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer |
| title_full_unstemmed | Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer |
| title_short | Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer |
| title_sort | statistical error in particle simulations of fluid flow and heat transfer |
| topic | particle simulations fluid flow heat transfer equilibrium statistical mechanics hydrodynamic parameters |
| url | http://hdl.handle.net/1721.1/3708 |
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