An atomic-continuum multiscale modeling approach for interfacial thermal behavior between materials

Abstract

The aim of this paper is to provide a systematic method to perform interfacial thermal behavior between materials. A multiscale modeling method is proposed to investigate the interfacial thermal properties about copper nano interface structure. The interface stress element (ISE) method is set as a coupling button to a span-scale model combined with molecular dynamics (MD) and finite element (FE) methods. The handshake regions can simulate the structure transfer properties between the transition with MD and ISE, ISE and FE. The multiscale model is used to calculate the interfacial thermal characters under different temperatures. Some examples about numerical experiments with copper materials demonstrate the performance of MD–ISE–FE multiscale model is more successful compared with the approach applying MD–FE model. The results indicate that the accuracy of the MD–ISE–FE model is higher than that of MD–FE mode. This investigation implies a potential possibility of multiscale analysis from atomic to continuum scales.