A multi-scale model-based simulation of thin film delamination

To bridge the different spatial scales involved in the process of tungsten (W) film delaminating from silicon (Si) substrate, a multi-scale model-based simulation procedure is proposed. In the proposed procedure, a bifurcation-based multi-scale decohesion model, which represents the link between molecular and continuum levels, is first formulated within the framework of the continuum mechanics. The proposed model is then calibrated by using molecular dynamics simulation of single crystal W block under tensile loading and available experimental data, with a power scaling law to account for the spatial size effect. A multi-scale model-based simulation of W film delamination from Si substrate is performed by using the proposed procedure within the framework of the material point method. The simulated results have provided new insights into the mechanisms of the thin film delamination process.