Ab initio tensile tests of grain boundaries in the fcc crystals of Ni and Co with segregated sp-impurities

Models of Σ5(210) grain boundaries in crystals of fcc Ni and fcc Co with segregated sp-impurities (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb, and Te) have been subjected to ab initio computational tensile tests. Two models of deformation (rigid grain shift and uniaxial loading) have been considered a...

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Veröffentlicht in:	Materials science & engineering. A, Structural materials : properties, microstructure and processing Structural materials : properties, microstructure and processing, 2016-07, Vol.669, p.218-225
Hauptverfasser:	Cerny, M, Sestak, P, ehak, P, Vsianska, M, Sob, M
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Computation Computational tensile test Crystals Face centered cubic lattice Grain boundaries Grain boundary embrittlement Grains Mathematical models Strength Tensile tests Theoretical strength
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