ON NORMAL AND ANOMALOUS SELF-DIFFUSION IN BODY-CENTERED-CUBIC METALS - A COMPUTER-SIMULATION STUDY

Authors
MIKHIN AG OSETSKY YN
Citation
Ag. Mikhin et Yn. Osetsky, ON NORMAL AND ANOMALOUS SELF-DIFFUSION IN BODY-CENTERED-CUBIC METALS - A COMPUTER-SIMULATION STUDY, Journal of physics. Condensed matter, 5(49), 1993, pp. 9121-9130
Citations number
32
Categorie Soggetti
Physics, Condensed Matter
Journal title
Journal of physics. Condensed matter → ACNP
ISSN journal
09538984
Volume
5
Issue
49
Year of publication
1993
Pages
9121 - 9130
Database
ISI
SICI code
0953-8984(1993)5:49<9121:ONAASI>2.0.ZU;2-P
Abstract
A computer simulation study of the lattice dynamics and vacancy migrat ion of BCC Fe and in Bcc Zr is presented. The results obtained are in good agreement with experiments. Special attention is paid to the temp erature behaviour of the T1 1/2(110) phonon mode. This mode in Zr is s hown to be related to the beta-to-alpha phase transformation as well a s to the curvature of the Arrhenius plot. A phonon-enhanced mechanism with a temperature-dependent vacancy migration enthalpy is proposed as an explanation of 'anomalous' self-diffusion in BCC metals.