Molecular Dynamics Simulation of Thermodynamic Properties for Al-Si Alloys in Material Manufacturing Engineering
The molecular dynamics method was used to simulate thermodynamic properties of two binary alloys: Al75 Si25, Al85 Si15..They were calculated of the energy functions, including cohesive energy , formation energy. Results display, formation energy and excess free energy are all negative values, so Al-Si alloys belong to negative system. The atomic interactions were analyzed in macroscopic and microcosmic views. The calculated formation energy can describe the deviation degree between the actual alloy and the ideal melt quantitatively.
B. Xu and H.Y. Li
L. F. Li and X. F. Zhang, "Molecular Dynamics Simulation of Thermodynamic Properties for Al-Si Alloys in Material Manufacturing Engineering", Advanced Materials Research, Vol. 583, pp. 326-329, 2012