Prediction of glass forming ability in CuxZr1−x alloys using molecular dynamics
https://doi.org/10.17586/2220-8054-2015-6-5-650-660
Abstract
Binary CuxZr1−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 (Trg) has been determined in order to predict the glass forming ability (GFA) of these alloys. Tl is found to be a better substitute for Tm and the simulated Trg values are seen to be in good agreement with the experimental results in limits of 0.8 – 5.4 %.
Supporting agencies: The authors are grateful to Dr. R. S. Hastak, Director NMRL, for his research support, Dr. B. C. Chakraborthy, Dr. G. Gunasekaran, Dr. S. Rath of NMRL, M. Bharadwaj of CSTEP, Bangalore and Dr. S. Subramanian, DMRL, Hyderabad for their useful discussions.
About the Authors
M. M. Khandpekar
Materials Research Lab, Department of Physics, Birla College
India
India
Kalyan – 421304
A. Shrivastava
Materials Research Lab, Department of Physics, Birla College
India
India
Kalyan – 421304
D. S. Gowtam
Naval Material Research Lab, Shil-Badlapur Road Ambernath
India
India
Thane, Maharashtra – 42150
M. Mohape
Naval Material Research Lab, Shil-Badlapur Road Ambernath
India
India
Thane, Maharashtra – 42150
V. P. Deshmukh
Naval Material Research Lab, Shil-Badlapur Road Ambernath
Russian Federation
Russian Federation
Thane, Maharashtra – 42150
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Review
For citations:
Khandpekar M.M., Shrivastava A., Gowtam D.S., Mohape M., Deshmukh V.P. Prediction of glass forming ability in CuxZr1−x alloys using molecular dynamics. Nanosystems: Physics, Chemistry, Mathematics. 2015;6(5):650-660. https://doi.org/10.17586/2220-8054-2015-6-5-650-660
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