Molecular Dynamics Study of Surface Anisotropy in Ag-60 Cu-40 Alloy at Nanoscale

M Imran and F Hussain and M Rashid and F Kousar and MA Javid and H Ullah and E Ahmad and SA Ahmad, INTERNATIONAL JOURNAL OF THERMOPHYSICS, 38, 46 (2017).

DOI: 10.1007/s10765-016-2177-3

In the present study, molecular dynamics simulation has been performed to investigate the anisotropic behavior of free standing Ag-60 Cu-40 nanorods. We choose different orientations with various cross sections to study the dynamics of thermal behavior of Ag-60 Cu-40 nanorods. The system is modeled using embedded atom method potentials. The radial distribution functions are analyzed to reveal the dynamic evolution of the structural behavior of nanorods with different orientations and sample sizes. The total energy and mean square displacement is also calculated to characterize the melting phenomenon of various samples. The melting temperature of the nanorods is found to be significantly size and orientation dependent, and it increases with the increase in cross-sectional area. The nanorods with low-index crystallographic surfaces such as (110) exhibit lowest melting temperature as compared to compact surfaces (111).

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