Structural and mechanical properties of a simulated nickel nanophase

G. D'Agostino, H. Van Swygenhoven

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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.
Original languageEnglish
Publication statusPublished - 1996
EventProceedings of the 1995 Fall MRS Symposium - , Unknown
Duration: 1 Jan 1996 → …

Conference

ConferenceProceedings of the 1995 Fall MRS Symposium
CountryUnknown
Period1/1/96 → …

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All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials

Cite this

D'Agostino, G., & Van Swygenhoven, H. (1996). Structural and mechanical properties of a simulated nickel nanophase. Paper presented at Proceedings of the 1995 Fall MRS Symposium, Unknown.