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cond-mat.dis-nn2005
{\it Ab initio} Simulation of Silver Transport in Ge_xSe_1-x: Ag
De Nyago Tafen, D. A. Drabold, M. Mitkova
In this paper, we present models of Ge-Se glasses heavily doped with Ag obtained from {\it ab initio} simulation and study the dynamics of the network with an emphasis on the motio…
cond-mat.dis-nn2005
Direct ab initio MD simulation of silver ion diffusion in chalcogenide glasses
De Nyago Tafen, D. A. Drabold, M. Mitkova
In this paper, we present new models of germanium selenide chalcogenide glasses heavily doped with silver. The models were readily obtained with ab initio molecular dynamics and th…