Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/58257
Title: Equilibration of heat conduction simulation in a very thin film using molecular dynamics
Authors: Xue, H. 
Shu, C. 
Keywords: Heat conduction
Molecular dynamics
Numerical simulation
Thin film
Issue Date: 1999
Source: Xue, H.,Shu, C. (1999). Equilibration of heat conduction simulation in a very thin film using molecular dynamics. International Journal of Numerical Methods for Heat and Fluid Flow 9 (1) : 60-71. ScholarBank@NUS Repository.
Abstract: This investigation deals irith the equilibration of heat conduction simulation in a very thin film using molecular dynamics. Two parameters, the positional order parameter and the kinetic H-fundion, are employed simultaneously to monitor the evolution to the equilibrium. With the different boundary conditions, material parameters, and molecular lattice configurations, the results of the simulation show that the combination of the two parameters can give a consistent prediction to the approach of the equilibrium. At the equilibrium state, the process of heat conduction in a thin film is studied to understand the macroscopic beliaviour from the standpoint of molecular dynamic motions. The method used can be applied to solve other microscopic flow and heat transfer problems using molecular dynamic simulation. © MCB University Press.
Source Title: International Journal of Numerical Methods for Heat and Fluid Flow
URI: http://scholarbank.nus.edu.sg/handle/10635/58257
ISSN: 09615539
Appears in Collections:Staff Publications

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