Yang S.W. – TechConnect Briefs

Investigation of Metal Diffusion into Polymers via ab initio Simulations

Dai L., Yang S.W., Chen X.T., Tan V.B.C., Wu P., National University of Singapore, SG

Ab initio MD simulations were carried out to characterize the diffusion of Cu and Ta atoms/clusters inside an amorphous polymer. The diffusion coefficients of Cu and Ta atoms and their atomic clusters in linear amorphous [...]