Heat Transfer & Fluid Flow in Microchannels

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Molecular Dynamics Methods in Microscale Heat Transfer

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A.Introduction

B. Molecular Dynamics Method

(a) Equation of motion and potential Function

(b) Examples of potential functions

I. Lennard-Jones potential

II. Effective pair potential for water

III. Potential for larger molecules in the liquid phase (OPLS and AMBER)

IV. Many-body potential for carbon and silicon

V. Pair potential and embedded atom method (EAM) for solid metal

(d) Boundary Condition: Spatial and Temporal Scale

(e) Initial condition and control of temperature and/or pressure

(f) Thermophysical and dynamic properties

C. Molecular Dynamics in Microscale and Nanoscale Heat Transfer

(a) Liquid-vapor interface

(b) Solid-liquid-vapor interactions

I. Lennard-Jones model system

II. Water droplet on a platinum solid surface

I. Introduction of carbon nanotubes

II. Hydrogen absorption with single-walled carbon nanotubes

III. Water in carbon nanotubes

(d) Nucleation and phase change

I. Homogeneous nucleation

II. Heterogeneous nucleation

III. Crystallization of amorphous silicon

IV. Formation of clusters, fullerene, and carbon nanotubes

(e) Heat Conduction and heat transfer

I. Thermal boundary resistance

II. Heat conduction of carbon nanotubes

Acknowledgements

Nomenclature

References

ISBN 1-56700-208-0