Molecular Dynamics Simulations of Deformation Mechanisms in the Mechanical Response of Nanoporous Gold
Abstract
:1. Introduction
2. Simulation Methods
3. Results and Discussion
3.1. Tensile Test
3.2. Compressive Test
4. Conclusions
- The pore shape effect is negligible for the elastic modulus, while the influence of the pore shape is significant on the mechanical strength and fracture behaviour of np Au.
- A uniform stress distribution along ligaments leads to a higher tensile strength as well as fracture toughness in the H-ellipse pore shape compared to the other pore shapes.
- A higher compressive strength is observed in the circular pore shape with uniformly distributed stress in ligaments compared to the other pore shapes with concentrated stresses.
- The pore shape effect in asymmetric tension-compression is observed for np Au. The utmost tension-compression ratio of 3.4 is obtained for the yield strength of the H-ellipse pore shape, while the V-ellipse pore shape has the lowest tension-compression ratio of 1.3. The tensile strength is found to be higher than the compressive strength for all pore shapes, while the compressive fracture toughness is seven times higher than the tensile fracture toughness in np Au with pore shape of circle.
Author Contributions
Funding
Conflicts of Interest
References
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Pore Shape | (GPa) | (MPa) | (MPa) | ||||
---|---|---|---|---|---|---|---|
11.8 | 255 | 2.0 | 728 | 9.1 | 47 | 0.148 | |
12.4 | 510 | 4.1 | 968 | 9.2 | 107 | 0.59 | |
9.9 | 180 | 1.7 | 273 | 3.1 | 83 | 0.21 | |
12.1 | 245 | 2.1 | 920 | 15.7 | 99 | 0.44 | |
10.3 | 275 | 2.5 | 908 | 11.3 | 115 | 0.806 |
Pore Shape | (GPa) | (MPa) | (MPa) | |||||
---|---|---|---|---|---|---|---|---|
10.1 | 160 | 1.6 | 471 | 10.3 | 45.8 | 71 | 0.432 | |
10.2 | 150 | 1.5 | 460 | 10.4 | 46.7 | 72 | 0.406 | |
9.9 | 140 | 1.3 | 222 | 3.4 | 36.0 | 58 | 0.12 | |
9.5 | 95 | 1.0 | 439 | 12.7 | 32.8 | 63 | 0.42 | |
9.1 | 128 | 1.3 | 407 | 14 | 42.6 | 74 | 0.313 |
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Nasr Esfahani, M.; Jabbari, M. Molecular Dynamics Simulations of Deformation Mechanisms in the Mechanical Response of Nanoporous Gold. Materials 2020, 13, 2071. https://doi.org/10.3390/ma13092071
Nasr Esfahani M, Jabbari M. Molecular Dynamics Simulations of Deformation Mechanisms in the Mechanical Response of Nanoporous Gold. Materials. 2020; 13(9):2071. https://doi.org/10.3390/ma13092071
Chicago/Turabian StyleNasr Esfahani, Mohammad, and Masoud Jabbari. 2020. "Molecular Dynamics Simulations of Deformation Mechanisms in the Mechanical Response of Nanoporous Gold" Materials 13, no. 9: 2071. https://doi.org/10.3390/ma13092071