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Strongly non-Arrhenius self-interstitial diffusion in vanadium

Title
Strongly non-Arrhenius self-interstitial diffusion in vanadium
Authors
Zepeda-Ruiz L.A.Rottler J.Han S.Ackland G.J.Car R.Srolovitz D.J.
Ewha Authors
한승우
Issue Date
2004
Journal Title
Physical Review B - Condensed Matter and Materials Physics
ISSN
0163-1829JCR Link
Citation
vol. 70, no. 6, pp. 60102 - 1-060102-4
Indexed
SCOPUS scopus
Abstract
We study diffusion of self-interstitial atoms (SIAs) in vanadium via molecular-dynamics simulations. The 〈111〉-split interstitials are observed to diffuse one-dimensionally at low temperature, but rotate into other 〈111〉 directions as the temperature is increased. The SIA diffusion is highly non-Arrhenius. At T < 600 K, this behavior arises from temperature-dependent correlations. At T > 600 K, the Arrhenius expression for thermally activated diffusion breaks down when the migration barriers become small compared to the thermal energy. This leads to Arrhenius diffusion kinetics at low T and diffusivity proportional to temperature at high T.
DOI
10.1103/PhysRevB.70.060102
Appears in Collections:
자연과학대학 > 물리학전공 > Journal papers
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