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Metallurgical and Materials Transactions A
Published in: Metallurgical and Materials Transactions A 2/2012

01-02-2012

Effects of 3d Transition Metal Elements in the B2-FeAl Structure

Authors: P.-H. Chen, T. Tang, Y. Long

Published in: Metallurgical and Materials Transactions A | Issue 2/2012

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Abstract

Based on the Chen–Möbius lattice inversion and a series of pseudopotential total energy curves, a parameter-free method was used to derive Fe(Al)-X (where X = Co, Cr, Cu, Mn, Ni, Sc, Ti, V, and Zn) interatomic potentials to study the effects of 3d transition metal elements substituting Fe or Al atoms in the B2-FeAl structure. Through molecular dynamics, the site preference of each type of defect was determined by comparing total energy calculations. The changes in lattice parameters and bulk modulus associated with the presence of defects in the FeAl matrix were also studied. The results are compared, when available, with experimental data and other theoretical results.
previous article Influence of Nitrogen Content on Thermal Stability and Grain Growth Kinetics of Cryomilled Al Nanocomposites
next article The Kinetics of the Nitriding of Ternary Fe-2 at pct Cr-2 at pct Ti Alloy

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Metadata
Title
Effects of 3d Transition Metal Elements in the B2-FeAl Structure
Authors
P.-H. Chen
T. Tang
Y. Long
Publication date
01-02-2012
Publisher
Springer US
Published in
Metallurgical and Materials Transactions A / Issue 2/2012
Print ISSN: 1073-5623
Electronic ISSN: 1543-1940
DOI
https://doi.org/10.1007/s11661-011-0893-7

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