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《03 Application of Molecular Dynamics Simulation in Electronic Packaging》.pdf
Chapter 3
Application of Molecular Dynamics Simulation
in Electronic Packaging
Haibo Fan(*ü ) and Matthew M.F. Yuen
3.1 Introduction
With the increasing need for high input/output (I/O) counts and miniaturization,
novel electronic packages are continuously being developed. Chip scale packages
are beginning to replace older leadframe technology because of low cost, size, and
performance advantages. Wafer-level packaging technology is becoming popular
due to low cost and higher electronic performance. At same time, more and more
functional materials at the nanoscale are used in electronic packaging for the
improvement of the adhesion and thermal conductivity, such as carbon nanotube
(CNT), thermal interface material (TIM), and self-assembly monolayer (SAM). To
obtain good performance of these materials and guide the experimental research, it
is important for us to find methods to understand material behavior at a fundamen-
tal level. Obviously, a traditional method like finite element analysis widely used in
electronic packages is not suitable for modeling the behavior of these materials at
a nanoscale level. Molecular dynamics (MD) simulation is now one of the fastest
growing research areas and can reproduce material behavior at atomic level.
Therefore, investigation of material behavior using MD simulation in electronic
packaging is both necessary and attractive.
3.2 Molecular Dynamics Simulation
Molecular modeling is the science of representing molecular structures numerically
and simulating their behavior with the equations of quantum and classical physics
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