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Structural and Mechanical Properties of a Simulated Nickel Nanophase

Published online by Cambridge University Press:  15 February 2011

G. D’Agostino  and
H. Van Swygenhoven
G. D’Agostino
Affiliation:
ENEA C.R.E. Casaccia Dip. Innovazione sp59 CP 2400 ROMA I-00100Italy
H. Van Swygenhoven
Affiliation:
Paul Scherrer Institute, Villigen (Ag) CH-5236Switzerland
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Abstract

The present paper is aimed at studying the physics of a nickel nanophase at the atomic level. A dense polycrystal has been designed by ideally growing many nano-crystals from randomly distributed seeds and truncating them through a Voronoi construction. The sample has been brought to thermodynamic equilibrium and quenched to its local minimum energy thus leading to a mechanically stable system. The dynamic evolution has been simulated by means of classical molecular dynamics employing a Finnis-Sinclair interactive potential. Owing to the large number of atoms required, a parallel code has been developed. Elastic and plastic behaviour of the simulated sample has been compared with that of a perfect crystal. Evidence of an enhanced plastic behaviour has been observed when severe tensile stresses are applied.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 400: Symposium E – Metastable Metal-Based Phases and Microstructures , 1995 , 293
Copyright
Copyright © Materials Research Society 1996

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