Molecular Dynamics Simulation on Thin-Film Lubrication of a Mixture of Three Alkanes
Abstract
:1. Introduction
2. The Model and Methodology
2.1. Model
2.2. Forcefield
2.3. Simulation Method
3. Results and Discussion
3.1. Viscosity
3.2. Film Thickness
3.3. Density
4. Conclusions
Author Contributions
Funding
Conflicts of Interest
References
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Atomic Category | ro (Å) | ε(kcal/mol) |
---|---|---|
Fe | 2.6595 | 13.88920 |
C43 | 3.854 | 0.0400 |
C3 | 3.854 | 0.0620 |
H | 2.878 | 0.0230 |
Parameter | Unit | Value |
---|---|---|
kg m−3 | 9.7188 × 102 | |
kg m−3 K−1 | −6.8027 × 10−1 | |
C0 | − | −1.2327 × 10−1 |
C1 | K−1 | 5.5227 × 10−4 |
B0 | MPa−1 | −1.3895 × 10 |
B1 | MPa−1 K−1 | 1.8296 × 10−1 |
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Du, R.; Zhang, A.; Du, Z.; Zhang, X. Molecular Dynamics Simulation on Thin-Film Lubrication of a Mixture of Three Alkanes. Materials 2020, 13, 3689. https://doi.org/10.3390/ma13173689
Du R, Zhang A, Du Z, Zhang X. Molecular Dynamics Simulation on Thin-Film Lubrication of a Mixture of Three Alkanes. Materials. 2020; 13(17):3689. https://doi.org/10.3390/ma13173689
Chicago/Turabian StyleDu, Run, Anying Zhang, Zhihua Du, and Xiaoyu Zhang. 2020. "Molecular Dynamics Simulation on Thin-Film Lubrication of a Mixture of Three Alkanes" Materials 13, no. 17: 3689. https://doi.org/10.3390/ma13173689