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Prediction of glass forming ability in Cu$_{x}$Zr$_{1-x}$ alloys using molecular dynamics
M. M. Khandpekara, A. Shrivastavaa, D. S. Gowtamb, M. Mohapeb, V. P. Deshmukhb a Materials Research Lab, Department of Physics, Birla College, Kalyan – 421304, India
b Naval Material Research Lab, Shil-Badlapur Road Ambernath, Thane, Maharashtra – 42150, India
Abstract:
Binary Cu$_{x}$Zr$_{1-x}$ (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 verification. 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.
Received: 04.06.2015 Revised: 03.07.2015 Accepted: 15.09.2015
Citation:
M. M. Khandpekar, A. Shrivastava, D. S. Gowtam, M. Mohape, V. P. Deshmukh, “Prediction of glass forming ability in Cu$_{x}$Zr$_{1-x}$ alloys using molecular dynamics”, Nanosystems: Physics, Chemistry, Mathematics, 6:5 (2015), 650–660
Linking options:
https://www.mathnet.ru/eng/nano978 https://www.mathnet.ru/eng/nano/v6/i5/p650
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Abstract page: | 39 | Full-text PDF : | 27 |
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