Molecular Dynamics Study of Surface Anisotropy in $$hbox {Ag}_{60}; hbox {Cu}_{40}$$ Alloy at Nanoscale |
| |
| Authors: | Muhammad Imran Fayyaz Hussain Muhammad Rashid Farhana Kousar M. Arshad Javid Hafeez Ullah Ejaz Ahmad S. A. Ahmad |
| |
| Affiliation: | 1.Department of Physics,Govt. College University Faisalabad,Faisalabad,Pakistan;2.Materials Simulation Research Laboratory (MSRL), Department of Physics,Bahauddin Zakariya University,Multan,Pakistan;3.Department of Physics,COMSATS Institute of Information Technology,Islamabad,Pakistan;4.Institute of Chemical Sciences,Bahauddin Zakariya University,Multan,Pakistan;5.Department of Basic Sciences (Physics),University of Engineering and Technology,Taxila,Pakistan;6.Biophotonics Research Laboratory, Department of Physics,Islamia University of Bahawalpur,Punjab,Pakistan |
| |
| Abstract: | 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). |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
