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Study of Glass Forming on Cu60.0Zr32.5Ti7.5 Alloy by Molecular Dynamics Simulation

Authors :
Luis César Rodríguez Aliaga
Camila Sanches Schimidt
Lucas Venancio Pires de Carvalho Lima
Ivan Napoleão Bastos
Walter José Botta
Source :
Materials Research, Vol 21, Iss 2 (2017)
Publication Year :
2017
Publisher :
Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol), 2017.

Abstract

This paper presents the results of Molecular Dynamics (MD) simulations of Cu60.0Zr32.5Ti7.5 alloy through the open source code LAMMPS. Amorphous samples were produced by quenching the molten metal from 2300 to 300 K. The pair distribution functions of the liquid and solid were calculated. Moreover, the atomic short-range order at 800, 700 and 300 K was obtained by using the Voronoi tesselation method. Cu-centered icosahedral clusters were the prevailing configuration. The tensile stress-strain curve showed that the material present plastic deformation, however, shear bands were not observed in the MD simulation. The evolution of viscosity in temperatures higher than its glass transition temperature was also determined. Furthermore, the fragility of the alloy at glass temperature was evaluated.

Details

Language :
English
ISSN :
15161439 and 19805373
Volume :
21
Issue :
2
Database :
Directory of Open Access Journals
Journal :
Materials Research
Publication Type :
Academic Journal
Accession number :
edsdoj.778446cd009246ad9ff80b88142745af
Document Type :
article
Full Text :
https://doi.org/10.1590/1980-5373-mr-2017-0555