Phase-field model for grain boundary grooving in multi-component thin films

Phase-field model for grain boundary grooving in multi-component thin films

Mathieu Bouville, Shenyang Hu, Long-Qing Chen, Dongzhi Chi and David J Srolovitz 1 Institute of Materials Research and Engineering, Singapore 117602 2 MST-8, Los Alamos National Laboratory, Los Alamos, NM 87545, U.S.A. 3 Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802, U.S.A. 4 Institute for High Performance Computing, Singapore 117528 5...

A Phase Field Model for Grain Growth and Thermal Grooving in Thin Films with Orientation Dependent Surface Energy

Abstract. A phase field model for simulating grain growth and thermal grooving in thin films is presented. Orientation dependence of the surface free energy and misorientation dependence of the grain boundary free energy are included in the model. Moreover, the model can treat different mechanisms for groove formation, namely through volume diffusion, surface diffusion, evaporation-condensation...

Molecular Dynamics Analysis of Grain-Boundary Grooving in Thin-Film Interconnects for ULSIs

Grain-boundary grooving in an Al thin film was analyzed by molecular-dynamics simulation. The simulation result showed that the groove was formed by atom transport due to diffusion at the intersection of the grain-boundary and free surface. The effect of impurity on groove formation was analyzed in terms of atomic radius and bond energy. It was found that when the atomic radius of an impurity i...

Surface transport in premelted films with application to grain-boundary grooving.

We present a new model of surface transport in premelted films that is applicable to a wide range of materials close to their melting points. We illustrate its use by applying it to the evolution of a grain-boundary groove in a high vapor pressure material and show that Mullins's classical equation describing transport driven by gradients in surface curvature is reproduced asymptotically. The m...

Constrained Grain Boundary Diffusion in Thin Copper Films