Calculation of self-diffusion coefficients in iron

Journal Article · Wed Jan 15 00:00:00 EST 2014 · AIP Advances

DOI:https://doi.org/10.1063/1.4863462· OSTI ID:22251622

Zhang, Baohua ^[1]

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1. Laboratory for High Temperature and High Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, Guizhou 550002, China and Institute for Study of the Earth's Interior, Okayama University, Misasa, Tottori-ken 682-0193 (Japan)

On the basis of available P-V-T equation of state of iron, the temperature and pressure dependence of self-diffusion coefficients in iron polymorphs (α, δ, γ and ε phases) have been successfully reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects point defects parameters with bulk properties. The calculated diffusion parameters, such as self-diffusion coefficient, activation energy and activation volume over a broad temperature range (500-2500 K) and pressure range (0-100 GPa), compare favorably well with experimental or theoretical ones when the uncertainties are considered.

• OSTI ID: 22251622
• Journal Information: AIP Advances, Vol. 4, Issue 1; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 2158-3226
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ACTIVATION ENERGY
EQUATIONS OF STATE
IRON
POINT DEFECTS
PRESSURE DEPENDENCE
SELF-DIFFUSION
TEMPERATURE RANGE