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NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2015, 6 (5), P. 650–660

Prediction of glass forming ability in Cu_xZr_1-x alloys using molecular dynamics

M. M. Khandpekar – Materials Research Lab, Department of Physics, Birla College, Kalyan – 421304, India; dr_mmk1968@yahoo.com
A. Shrivastava – Materials Research Lab, Department of Physics, Birla College, Kalyan – 421304, India
D. S. Gowtam – Naval Material Research Lab, Shil-Badlapur Road Ambernath, Thane, Maharashtra – 42150, India
M. Mohape – Naval Material Research Lab, Shil-Badlapur Road Ambernath, Thane, Maharashtra – 42150, India
V. P. Deshmukh – Naval Material Research Lab, Shil-Badlapur Road Ambernath, Thane, Maharashtra – 42150, India

Binary Cu_xZr_1-x (x = 0.46, 0.50, 0.58, 0.62) alloy systems were developed using a conventional melting route. Molecular dynamics (MD) simulations have been carried out using the embedded atom method (EAM) potentials. Radial distribution function (RDF) and Voronoi calculations have been conceded for amorphous structure verifi- cation. The reduced glass transition temperature (T_rg ) has been determined in order to predict the glass forming ability (GFA) of these alloys. T_l is found to be a better substitute for T_m and the simulated T_rg values are seen to be in good agreement with the experimental results in limits of 0.8 – 5.4 %.

Keywords: Amorphous materials, Simulation and Modelling, Structural and thermal properties.

PACS 61.43.Bn, 61.43.Dq, 61.43.Fs, 61.66.Dk

DOI 10.17586/2220-8054-2015-6-5-650-660

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