Impacts of Random Atomic Defects on Critical Buckling Stress of Graphene under Different Boundary Conditions
Abstract
:1. Introduction
2. Graphene Geometrical Configuration
3. Boundary Conditions
4. Results and Discussion
4.1. Buckling Patterns
4.2. Statistic Results
4.3. Probability Density Distribution
5. Conclusions
- The buckling patterns and critical stress of porous graphene are sensitive to boundary conditions.
- The randomly distributed atomic vacancy defects in porous graphene destroy the regularity and symmetry of buckling patterns.
- The possibility of strengthening effects in critical buckling stress is tracked under the first, third, and fourth boundary conditions.
- The distinguishable interval ranges of probability density distribution for the relative variation of the critical buckling stress prove the promising potential of artificial control by the atomic vacancy amounts.
- It is a potentially feasible method to improve the hydrogen storage and release performance by the adaptation and change in the boundary condition of the porous graphene.
- The approximated Gaussian density distribution of critical buckling stress demonstrates the stochastic sampling efficiency by the Monte Carlo method and the artificial controllability of porous graphene.
- The results of this work provide new ideas for understanding the random porosities in buckled graphene and provide a basis for energy harvest, hydrogen storage, and artificial functionalization.
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
Appendix A
Mean | Maxi | Min | Variance | |
---|---|---|---|---|
P1 | 0.9916 | 0.9986 | 0.9835 | 0.0704 |
P2 | 0.9804 | 1.0098 | 0.9678 | 0.1732 |
P3 | 0.9618 | 1.0169 | 0.9444 | 0.3832 |
P4 | 0.8886 | 0.9500 | 0.8540 | 0.3459 |
P5 | 0.8157 | 0.8900 | 0.7714 | 0.7096 |
Mean | Maxi | Min | Variance | |
---|---|---|---|---|
P1 | 0.9918 | 0.9982 | 0.9816 | 0.0175 |
P2 | 0.9807 | 0.9913 | 0.9676 | 0.0409 |
P3 | 0.9623 | 0.9760 | 0.9426 | 0.0824 |
P4 | 0.8893 | 0.9139 | 0.8594 | 0.2703 |
P5 | 0.8161 | 0.8513 | 0.7714 | 0.4892 |
Mean | Maxi | Min | Variance | |
---|---|---|---|---|
P1 | 0.9976 | 1.0067 | 0.9757 | 0.2198 |
P2 | 0.9942 | 1.0066 | 0.9680 | 0.5589 |
P3 | 0.9878 | 1.0017 | 0.9623 | 1.1663 |
P4 | 0.9542 | 0.9863 | 0.8694 | 5.5915 |
P5 | 0.9071 | 0.9574 | 0.7902 | 14.0503 |
Mean | Maxi | Min | Variance | |
---|---|---|---|---|
P1 | 0.9955 | 1.0046 | 0.9735 | 0.3041 |
P2 | 0.9893 | 0.9985 | 0.9559 | 0.7886 |
P3 | 0.9788 | 0.9965 | 0.9352 | 1.6734 |
P4 | 0.9324 | 0.9699 | 0.8673 | 7.4369 |
P5 | 0.8781 | 0.9600 | 0.7669 | 19.4867 |
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Shi, J.; Chu, L.; Yu, Z.; Souza de Cursi, E. Impacts of Random Atomic Defects on Critical Buckling Stress of Graphene under Different Boundary Conditions. Nanomaterials 2023, 13, 1499. https://doi.org/10.3390/nano13091499
Shi J, Chu L, Yu Z, Souza de Cursi E. Impacts of Random Atomic Defects on Critical Buckling Stress of Graphene under Different Boundary Conditions. Nanomaterials. 2023; 13(9):1499. https://doi.org/10.3390/nano13091499
Chicago/Turabian StyleShi, Jiajia, Liu Chu, Zhengyu Yu, and Eduardo Souza de Cursi. 2023. "Impacts of Random Atomic Defects on Critical Buckling Stress of Graphene under Different Boundary Conditions" Nanomaterials 13, no. 9: 1499. https://doi.org/10.3390/nano13091499