This article is cited in 14 papers

Lattice dynamics

Diffusion coefficients of vacancies and interstitials along tilt grain boundaries in molybdenum

I. I. Novoselov^ab, A. Yu. Kuksin^abc, A. V. Yanilkin<sup>a

a</sup> All-Russia Research Institute of Automatics named after N L Dukhov, Moscow
^b Moscow Institute of Physics and Technology (State University), Dolgoprudny, Moscow region
^c Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow

Abstract: The diffusion coefficients of vacancies and interstitials along symmetrical tilt grain boundaries in molybdenum have been calculated using the molecular dynamics method. The migration energies of defects have been obtained. The activation energy and coefficients of grain boundary self-diffusion have been deter-mined. A comparison of the obtained results with the studies of other authors indicates that boundaries formed between particles in the powder in sintering experiments have a higher diffusion activity as compared to stable grain boundaries in polycrystals.

Received: 14.10.2013
Accepted: 21.11.2013

 English version: Physics of the Solid State, 2014, 56:5, 1025–1032

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