Coarse grained molecular dynamics study of heat transfer in thermal interface materials

摘要

This paper describes first attempt to coarse-grained molecular dynamics study of heat transfer in thermal interface materials. All calculations and most of preparation steps are conducted using customized PERL scripts for Materials Studio 6.0. The first part introduces the developed approach to molecular modeling, which allows the study of the properties of thermal interface materials which provide the base for modern packages for electronic integrated circuits and systems on a chip. The second part of the paper shows in detail process of preparing the models, calculations and parameters of used models. Also at this stage all details of coarse-graining method was described. Third part shows the calculations and interpretation of results.