Simulations of Metal Cu in Heating Process
β Scribed by Tao Zhang; Ai-Ling Wu; Li Guan; Yuan-Hua Qi
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 368 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0256-7660
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β¦ Synopsis
Abstract
Based on the FinnisβSinsclair (FS) manyβbody potential model, the melting process of a system, which consists of 500 Cu atoms, controlled by period boundary condition has been simulated. The means of pair correlation function, mean square displacement and HoneycuttβAnderson bonded pair have been used to characterize the melting behavior of Cu at different heating rates. The simulation indicates that melting point of metal Cu is 1444 K during a continuous heating process, and the calculated diffusion constant at the melting point is 4.31Γ10^β^β^9^/s. These results are better than those from the EAM method, showing that the FS potential model works well in some disordered systems.
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