Atomic dynamics in molecular dynamics simulations of glassy CuTi thin films

Vauth, Sebastian; Mayr, S. G.
February 2005
Applied Physics Letters;2/7/2005, Vol. 86 Issue 6, p061913
Academic Journal
We present results on atomic dynamics in metallic glass thin films below the glass transition temperature using molecular dynamics simulations. Thin CuTi films of different compositions are prepared by quenching the liquid to an amorphous state. The atomic dynamics on the amorphous surface and inside the bulk of the samples are quantitatively compared by calculating diffusion constants and jump length distributions. Here, we focus on the collective or single particle character of the diffusion mechanism in dependence of the atom type. In addition, single atom exemplifications are analyzed for the different kinds of atomic dynamics. We find that Cu surface atoms diffuse with a single atom jump dynamics, whereas inside the bulk collective behavior dominates for both species.


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