Grain boundaries in nanomaterials

There is a sequence of structural transformations of the characteristic structural elements of the GB and the adjacent grain lattice which provide the migration of the GB.

Atomic mechanisms of high-speed migration of symmetric tilt grain boundaries in nanocrystalline Ni

K.P. Zolnikov, D.S. Kryzhevich, A.V. Korchuganov

PDF Article

Year: 2019

Volume: 9 Issue: 2

Pages: 197-201

Journal section: Theory and computer simulations in materials science and condensed matter physics

Grain boundary wetting by the melt in the Cu-10 wt.% Ag alloy

Grain boundary phase transformations in Al and Cu-based alloys

B.B. Straumal, O.A. Kogtenkova, A.B. Straumal, B. Baretzky

PDF Review

Year: 2018

Volume: 8 Issue: 3

Pages: 364-371

Journal section: Structure design and analysis

A method for the construction of initial atomic models of nanocrystals with extrinsic dislocations in grain boundaries for molecular dynamics simulations is developed. The method is used to determine atomic structures and energies of grain boundaries in columnar f.c.c. nanocrystals with [112] column axis.

A method for the construction of initial structures for molecular dynamics simulations of nanocrystals with nonequilibrium grain boundaries containing extrinsic dislocations

A.A. Nazarov, R.T. Murzaev

PDF editorial's selection Article

Year: 2018

Volume: 8 Issue: 1

Pages: 5-10

Journal section: Theory and computer simulations in materials science and condensed matter physics