| Molecular dynamic simulation of the grain boundary energy |
| Paper ID : 2552-UFGNSM13-FULL |
| Authors: |
|
Abdolvahid Movahedi-Rad *1, Reza Alizadeh baloochi2 1School of Metallurgical and Materials Engineering, College of Engineering,
University of Tehran, Tehran, Iran 2tehran, North Karegar, Engineering faculty of University of tehran |
| Abstract: |
| Grain boundary energy is so important in determining properties of ultra fine grain and nano structure materials. Molecular dynamics was used to simulate grain boundary energy as a function of misorientation for Al, Cu and Ni elements. Obtained results indicated well compatibility with theoretic predictions. It was obtained that higher cohesive energy results in higher grain boundary energy and depth of CSLs. In this manner, Ni had the highest and Al the lowest cohesive energy and grain boundary energy. |
| Keywords: |
| Molecular dynamic; Cohesive energy; Grain boundary energy; Misorientation angle. |
| Status : Paper Accepted (Poster Presentation) |
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