Journal of Nanomaterials & Molecular NanotechnologyISSN: 2324-8777

Research Article, J Nanomater Mol Nanotechnol Vol: 7 Issue: 1

Molecular Dynamics Studies of Temperature and Grain Size Effects on Mechanical Properties of Nanocrystalline Tungsten

Abdellah Tahiri1*, Idiri M2 and Boubeker B2

1Laboratoire d'Ingénierie et Matériaux (LIMAT), Faculté des Sciences Ben M’Sik Casablanca, Université Hassan II de Casablanca, Morocco

2Laboratoire des Sciences des Matériaux, des Milieux et de la Modélisation (LS3M), Faculté Polydisciplinaire de Khouribga, Univ Hassan 1, B.P. : 145, 25000 Khouribga, Morocco

*Corresponding Author : Abdellah Tahiri
Laboratoire d'Ingénierie et Matériaux (LIMAT), Faculté des Sciences Ben M’Sik Casablanca, Université Hassan II de Casablanca, Morocco
E-mail: [email protected]

Received: October 27, 2017 Accepted: February 06, 2018 Published: February 12, 2018

Citation: Tahiri A, Idiri M, Boubeker B (2018) Molecular Dynamics Studies of Temperature and Grain Size Effects on Mechanical Properties of Nanocrystalline Tungsten. J Nanomater Mol Nanotechnol 7:1. doi: 10.4172/2324-8777.1000239

Abstract

The elastic moduli of nancrystalline tungsten have been calculated from elastic constants by molecular dynamic simulation using embedded atom model. The nanocrystal containing 16 grains with average diameters ranging from 4, 2 to 8, 9 is made using the Voronoi construction. We have been interested in the investigation of both temperature and grain size effects on elastic moduli. A softening of material was observed with the temperature increase and the grain size decrease. The anisotropy calculations have shown that the material becomes more isotropic in high temperature. The found results are in good agreement with the literature.

Keywords: Nanocrystalline tungsten; Elastic moduli; Softening; Temperature; Grain size; Anisotropy; Molecular dynamics

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