Diffusion of self-point defects in body-centered cubic iron crystal containing dislocations

Journal Article · Fri Jan 15 04:00:00 EST 2010 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774510010153· OSTI ID:22051240

Sivak, A B ^[1]; Romanov, V A ^[2]

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1. JSC 'A.A. Bochvar High-Technology Research Institute of Inorganic Materials' (Russian Federation)
2. Leipunsky Institute of Physics and Power Engineering, Russian State Research Center (Russian Federation)

The energetic, crystallographic, and diffusion characteristics of self-point defects (SPDs) (vacancies and self-interstitial atoms (SIAs)) in body-centered cubic (bcc) iron crystal in the absence of stress fields have been obtained by the molecular statics and molecular dynamics methods. The effect of elastic stress fields of dislocations on the characteristics of SPDs (elastic dipoles) has been calculated by the methods of the anisotropic linear theory of elasticity. The SPD diffusion in the elastic fields of edge and screw dislocations (with Burgers vectors 1/2 <111> and <100>) at 293 K has been studied by the kinetic Monte Carlo method. The values of the SPD sink strength of dislocations of different types are obtained. Dislocations are more effective sinks for SIAs than for vacancies. The difference in the sink strengths for SIAs and vacancies in the case of edge dislocations is larger than the screw dislocations.

• OSTI ID: 22051240
• Journal Information: Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 1 Vol. 55; ISSN 1063-7745; ISSN CYSTE3
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANISOTROPY
BCC LATTICES
BURGERS VECTOR
CRYSTALLOGRAPHY
CRYSTALS
DIFFUSION
DIPOLES
EDGE DISLOCATIONS
ELASTICITY
IRON
MOLECULAR DYNAMICS METHOD
MONTE CARLO METHOD
SCREW DISLOCATIONS
SINKS
STRESSES
VACANCIES