Statistical Error in Particle Simulations of Fluid Flow and Heat Transfer
Name
HPCES023.pdf
Size
154.67 KB
Format
Adobe PDF
Checksum (MD5)
6730af73092f9e4a30c02c432107427c
Author(s)
Hadjiconstantinou, Nicolas G.
Garcia, Alejandro L.
Bazant, Martin Z.
He, Gang
Date Issued
January 2003
Series/Report no.
High Performance Computation for Engineered Systems (HPCES);
Abstract
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.
Subjects
particle simulations
fluid flow
heat transfer
equilibrium statistical mechanics
hydrodynamic parameters
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