najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2015-6-5-650-660najo-989Research ArticlePHYSICSФИЗИКАPrediction of glass forming ability in CuxZr1−x alloys using molecular dynamicsKhandpekarM. M.

Kalyan – 421304

mmk1968@yahoo.comShrivastavaA.

Kalyan – 421304

GowtamD. S.

Thane, Maharashtra – 42150

MohapeM.

Thane, Maharashtra – 42150

DeshmukhV. P.

Thane, Maharashtra – 42150

Materials Research Lab, Department of Physics, Birla CollegeIndiaNaval Material Research Lab, Shil-Badlapur Road AmbernathIndia20151508202565650660Copyright © Khandpekar M.M., Shrivastava A., Gowtam D.S., Mohape M., Deshmukh V.P., 20252025Khandpekar M.M., Shrivastava A., Gowtam D.S., Mohape M., Deshmukh V.P.Khandpekar M.M., Shrivastava A., Gowtam D.S., Mohape M., Deshmukh V.P.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/989

 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 %. 

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The authors declare that there are no conflicts of interest present.