Large scale molecular dynamics simulations of phase change materials
نویسندگان
چکیده
We present results of large scale (4000 atoms) atomistic simulations of liquid and amorphous GeTe based on a classical interatomic potential obtained by fitting a huge database of ab-initio energies by means of a Neural Network method. The availability of a reliable classical potential will allow addressing several issues on the properties of phase change materials presently beyond the capability of density functional based simulations.
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تاریخ انتشار 2011