Physics – Condensed Matter – Disordered Systems and Neural Networks
Scientific paper
2007-04-04
Physics
Condensed Matter
Disordered Systems and Neural Networks
9 pages, 7 figures. Phys. Rev. B, accepted for publication
Scientific paper
10.1103/PhysRevB.75.174304
A combination of experimental techniques and molecular dynamics (MD) computer simulation is used to investigate the diffusion dynamics in Al80Ni20 melts. Experimentally, the self-diffusion coefficient of Ni is measured by the long-capillary (LC) method and by quasielastic neutron scattering. The LC method yields also the interdiffusion coefficient. Whereas the experiments were done in the normal liquid state, the simulations provided the determination of both self-diffusion and interdiffusion constants in the undercooled regime as well. The simulation results show good agreement with the experimental data. In the temperature range 3000 K >= T >= 715 K, the interdiffusion coefficient is larger than the self-diffusion constants. Furthermore the simulation shows that this difference becomes larger in the undercooled regime. This result can be refered to a relatively strong temperature dependence of the thermodynamic factor \Phi, which describes the thermodynamic driving force for interdiffusion. The simulations also indicate that the Darken equation is a good approximation, even in the undercooled regime. This implies that dynamic cross correlations play a minor role for the temperature range under consideration.
Das Subir K.
Frohberg Guenter
Griesche Axel
Horbach Juergen
Macht Michael-Peter
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