Method for solving critical strain of graphene
A critical strain, graphene technology, applied in the field of graphene critical strain solution, can solve problems such as a large number of computing resources
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Embodiment 1
[0021] In this embodiment, what is introduced is the potential function Tersoff-Brenner potential function that we adopt, and this potential function is widely used in the calculation of the interatomic potential of graphene and single-walled carbon nanotubes:
[0022] V ij =V R (r ij )-B ij V A (r ij ) (1)
[0023] In the formula, subscript i, j represent atom, r ij Indicates the distance between two atoms, B ij Represents the key number item; V R Represents the repulsive force term between atoms, V A Indicates the attractive force term for interactions between atoms. They can be calculated by the following formula:
[0024]
[0025]
[0026] f ij (r) is a smooth cut-off function that limits the potential energy, determined by Equation 4:
[0027]
[0028] Among them, the healthy sequence function B ij Indicates the influence of atom k on the bond energy between atoms i and j under consideration of the many-body interaction:
[0029] B ij =(b ij +b j...
Embodiment 2
[0070] Please refer to Figure 1 to Figure 5 , Figure 1 to Figure 5 The relationship of this method to the mechanical properties of graphene with the strain after loading is provided.
[0071] in, Figure 4 The embodiment of the present invention provides a schematic diagram of the relationship between Poisson's ratio and strain of graphene stretched along the Armchair direction, in Figure 4 It can be seen that the graphene has broken when the slope k=0.
[0072] in, Figure 5 Provide the schematic diagram of the graphene biaxial tension failure boundary for the example of the present invention, in Figure 5 The closed area enclosed by the middle graph and the two axes of x-axis and y-axis is the effective area of graphene. When this area is exceeded, graphene will break.
[0073] The purpose of the present invention is to provide a new method for calculating the critical strain of graphene under load, which can calculate the critical strain and mechanical properties ...
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