A simple quasi-static model is used to calculate the potential energy field for a probe Al ion sitting in the liquid phase in the neighbourhood of the melt-crystal interface in aluminum at 933 K. Calculations make use of anab initio potential, already described in the literature, which well reproduces several bulk properties. The calculated field exhibits a complex structure; a relevant feature of it consists in the appearance in the liquid of potential minima which correspond either to substitutional or to interstitial positions in the growing lattice.
Microscopic structure of the solid-liquid interface in aluminum / Tenenbaum, Alexander; Luigi Filippo Donà delle, Rose; Antonio, Miotello. - In: NUOVO CIMENTO DELLA SOCIETÀ ITALIANA DI FISICA. D CONDENSED MATTER, ATOMIC, MOLECULAR AND CHEMICAL PHYSICS, BIOPHYSICS. - ISSN 0392-6737. - STAMPA. - 9 D:(1987), pp. 141-155. [10.1007/BF02451172]
Microscopic structure of the solid-liquid interface in aluminum
TENENBAUM, Alexander;
1987
Abstract
A simple quasi-static model is used to calculate the potential energy field for a probe Al ion sitting in the liquid phase in the neighbourhood of the melt-crystal interface in aluminum at 933 K. Calculations make use of anab initio potential, already described in the literature, which well reproduces several bulk properties. The calculated field exhibits a complex structure; a relevant feature of it consists in the appearance in the liquid of potential minima which correspond either to substitutional or to interstitial positions in the growing lattice.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
