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Structural and Mechanical Properties of Nanophase Ni: A Molecular-Dynamics Study of the Influence of Grain-Boundary Structure on Elastic and Plastic Behavior

Published online by Cambridge University Press:  10 February 2011

H. Van Swygenhoven ,
M. Spaczér  and
A. Caro
H. Van Swygenhoven
Affiliation:
Paul Scherrer Institute, Villigen, CH-5236 Switzerland, [email protected]
M. Spaczér
Affiliation:
Paul Scherrer Institute, Villigen, CH-5236 Switzerland, [email protected]
A. Caro
Affiliation:
Centro Atómico, 8400 Bariloche, Argentina, [email protected]
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Abstract

Molecular dynamics computer simulations of high load plastic deformation at temperatures up to 500K of Ni nanophase samples with mean grain size of 5 nm are reported. Two types of samples are considered: a polycrystal nucleated from different seeds, each having random location and random orientation, representing a sample with mainly high angle grain boundaries, and polycrystals with seeds located at the same places as before, but with a limited missorientation representing samples with mainly low angle grain boundaries. The structure of the grain boundaries is studied by means of pair distribution functions, coordination number, atom energetics, and common neighbour analysis. Plastic behaviour is interpreted in terms of grain-boundary viscosity, controlled by a self diffusion mechanism at the disordered interface activated by thermal energy and stress.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 357
Copyright
Copyright © Materials Research Society 1998

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References

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