INVESTIGADORES
RAMOS Susana Beatriz
congresos y reuniones científicas
Título:
Self-diffusion in fcc metals
Autor/es:
M. GARCÍA ORTEGA; S. RAMOS DE DEBIAGGI; A. M. MONTI
Lugar:
Minneapolis
Reunión:
Congreso; March Meeting 2000; 2000
Institución organizadora:
American Physical Society
Resumen:
It is well known that several fcc metals exhibit an upward
curvature in the Arrhenius plot of the self-diffusion
coefficient at high temperatures. Three reasons have been
proposed to explain it [1]: the contribution of more than
one diffusion mechanism, the temperature dependence of the
involved enthalpies and entropies, and the contribution of
vacancy multiple jumps. In this work, we report the
temperature dependence of the vacancy diffusion coefficient
over a wide temperature range using molecular dynamics
simulations and embedded atom interatomic potentials for Ni
and Al. We investigate the details of the involved atomic
jumps, paying particular attention to multiple ones and
considering also the contribution of divacancies, within the
limits imposed by the potentials. We compare our results to
experimental data and previous results obtained through
static calculations [2].
[1] G. De Lorenzi and F. Ercolessi, Europhys. Lett. 20 (4),
349 (1992). [2] S.B. Debiaggi, P.M. Decorte and A.M. Monti,
Phys. Stat. Sol. (b) 195, 37 (1996).