Paper Title:
Energetic Landscapes and Diffusion Properties in FeCu Alloys
  Abstract

The thermodynamic and kinetic properties of Fe-Cu alloys are studied by ab initio calculations, in the framework of a multiscale modeling of precipitation kinetics. The configuration energies at various compositions, the solute migration and binding energies, as well as the vacancy formation and binding energies are computed. The effects of the local copper distribution on the migration barriers are considered. We show that a simple diffusion model with effective interactions on a rigid lattice, which includes a description of the saddle-point configurations, captures the main features of the energetic landscapes explored by the vacancy during its diffusion in dilute and concentrated configurations.

  Info
Periodical
Solid State Phenomena (Volume 129)
Edited by
R. Kozubski, G.E. Murch and P. Zięba
Pages
31-39
DOI
10.4028/www.scientific.net/SSP.129.31
Citation
F. Soisson, C. C. Fu, "Energetic Landscapes and Diffusion Properties in FeCu Alloys ", Solid State Phenomena, Vol. 129, pp. 31-39, 2007
Online since
November 2007
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: Woo Sang Jung, Soon Hyo Chung, Heon Phil Ha, Ji Young Byun
Abstract:An ab initio study was carried out on interface energies at coherent interfaces between bcc Fe and MXs (NaCl structure, M = Ti, Zr, Hf, V,...
1625
Authors: Kinichi Masuda-Jindo, Vu Van Hung, P.E.A. Turchi
Abstract:The thermodynamic properties of high temperature metals and alloys are studied using the statistical moment method, going beyond the...
205
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: Marilyne Certain, Helena Zapolsky, Armen G. Khachaturyan
Abstract:Spontaneous self-assembling of interacting atoms prototyping crystallization and reconstructive phase transitions in crystalline state is...
1234
Authors: Konstantin Klyukin, Marina G. Shelyapina, Daniel Fruchart
Abstract:Mg/TM thin films are objects of interest as hydrogen storage materials due to their expected interesting thermodynamic and hydrogen sorption...
298