This article is cited in 18 papers

Lattice dynamics

Energies of formation and structures of point defects at 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 structure and formation energy of vacancies and interstitials at symmetrical tilt grain boundaries in molybdenum have been investigated by means of classical molecular dynamics. The dependence of the formation energy of these boundaries on the grain misorientation angle has been calculated. The structures of defects, energies of their formation, and diffusion mechanisms have been determined for the most stable grain boundaries.

Received: 13.10.2013
Accepted: 16.01.2014

 English version: Physics of the Solid State, 2014, 56:7, 1401–1407

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