Molecular Dynamics Study of Surface Anisotropy in \(\hbox {Ag}_{60}\; \hbox {Cu}_{40}\) Alloy at Nanoscale
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- 作者：Muhammad Imran ; Fayyaz Hussain ; Muhammad Rashid…
- 关键词：Molecular dynamics (MD) simulation ; surface anisotropy ; Ag60 Cu40 ; nanorods
- 刊名：International Journal of Thermophysics
- 出版年：2017
- 出版时间：March 2017
- 年：2017
- 卷：38
- 期：3
- 全文大小：
- 刊物类别：Physics and Astronomy
- 刊物主题：Condensed Matter Physics; Classical Mechanics; Industrial Chemistry/Chemical Engineering; Physical Chemistry;
- 出版者：Springer US
- ISSN：1572-9567
- 卷排序：38
文摘
In the present study, molecular dynamics simulation has been performed to investigate the anisotropic behavior of free standing \(\hbox {Ag}_{60}\; \hbox {Cu}_{40}\) nanorods. We choose different orientations with various cross sections to study the dynamics of thermal behavior of \(\hbox {Ag}_{60}\; \hbox {Cu}_{40}\) 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).