Paper Title:
Simulation of Pressure Effects on Self-Diffusion in BCC Metals
  Abstract

This work is devoted to the study of the point defect diffusion features in metals. In particular, we propose the model, which allows calculating activation volumes that describe the influence of pressure on the diffusion processes in solids. Our model realizes a new approach that makes it possible to self-consistently determine atomic structure near defect and constants characterizing the displacement of atoms in an elastic matrix around computational cell. Also we take into consideration that the energy of perfect system and system with a defect differently depends on the outer pressure, and this gives an addition to the values of migration and formation volumes. This addition can comprise a considerable part of activation volume. Moreover, we take into account that the atomic jump is a momentary process and so we carry out only partial relaxation of the atomic structure in the vicinity of a defect. The formation and migration energies and formation and migration volumes have been calculated for vacancies, di-vacancies and interstitials in bcc iron and tungsten using pair and many-body potentials.

  Info
Periodical
Edited by
D.Beke, A.Gusak, G.Murch, J.Philibert
Pages
125-132
DOI
10.4028/www.scientific.net/DDF.277.125
Citation
I. Valikova, A. V. Nazarov, "Simulation of Pressure Effects on Self-Diffusion in BCC Metals", Defect and Diffusion Forum, Vol. 277, pp. 125-132, 2008
Online since
April 2008
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Yoshihiro Kubota, Ryosuke Matsumoto, Michihiko Nakagaki
Abstract:In recent years, nano-crystalline materials have attracted many researchers’ attention, but the fracture mechanism has not been fully...
985
Authors: Irina Valikova, Andrei V. Nazarov
Abstract:Our recent model has been used to evaluate the point defect characteristics including those determining the effect of pressure on the...
1222
Authors: Jian Wei Wang, Xin Chun Shang, Guo Cai Lv
Abstract:Computer simulation techniques in atom scale have now become so powerful that phenomena associated with irradiation damage effects in metals...
513
Authors: You Xie, Jian Min Zhang
Chapter 8: Material Science & Technology
Abstract:The modified analytical embedded atom method is applied to calculate the phonon dispersion of body-centered cubic 3d transition metals Cr and...
532
Authors: Hak Son Jin, An Du
Chapter 3: Material Science, Manufacturing Engineering and Production System
Abstract:An end processing function of the pair-potential of modified analytical embedded atom method (MAEAM) was suggested for bcc metals. Through...
568