journal article·2009-04

Atomistic calculation of elastic constants of alpha-iron containing point defects by means of magnetic interatomic potentials

S. Chiesa, P.M. Derlet, S.L. Dudarev, H. Van Swygenhoven

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Abstract

The recently developed magnetic potential for ferromagnetic BCC Fe [S.L. Dudarev, P.M. Derlet, J. Phys. ondens. Mat. 17 (2005) 7097; P.M. Derlet, S.L. Dudarev, Prog. Mater. Sci. 52 (2007) 299] is used to investigate the change in the elastic constants of bcc α-Fe as a function of a concentration of interstitial and vacancy defects. The results are discussed in terms of experiment and current theoretical understanding.
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Research context

OpenAlex topics: Microstructure and Mechanical Properties of Steels · Material Properties and Failure Mechanisms · Electromagnetic Effects on Materials

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References (14)

Show source-provided references
1. Jenkins · Journal of Nuclear Materials · 1993 · 205 · 1610.1016/0022-3115(93)90067-9 ↗
2. Dudarev · Phys. Rev. Lett. · 2008 · 100 · 13550310.1103/PhysRevLett.100.135503 ↗
3. Cook · Nat. Mater. · 2006 · 5 · 7710.1038/nmat1584 ↗
4. Gubernatis · J. Appl. Phys. · 1975 · 46 · 187510.1063/1.321884 ↗
5. Dudarev · J. Phys.-Condens. Mat. · 2005 · 17 · 709710.1088/0953-8984/17/44/003 ↗
6. Derlet · Prog. Mater. Sci. · 2007 · 52 · 29910.1016/j.pmatsci.2006.10.011 ↗
7. Fu · Phys. Rev. Lett. · 2004 · 92
8. Nguyen-Manh · J. Nucl. Mater. · 2007 · 367 · 25710.1016/j.jnucmat.2007.03.006 ↗
9. Finnis · 2003
10. Zinkle · J. Nucl. Mater. · 2006 · 351 · 26910.1016/j.jnucmat.2006.02.031 ↗
11. Igarashi · Phys. Rev. B · 1993 · 48 · 290910.1103/PhysRevB.48.2909 ↗
12. Zakharova · Inorg. Mater. · 2001 · 37 · 78610.1023/A:1017979230262 ↗
13. Dederichs · J. Nucl. Mater. · 1978 · 69&70 · 17610.1016/0022-3115(78)90243-X ↗
14. Dederichs · Phys. Rev. B · 1976 · 14 · 231410.1103/PhysRevB.14.2314 ↗