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A Calculation Method for Buckling Deformation of Graphene-Flexible Substrate Structures

Active Publication Date: 2022-04-15
NANJING UNIV OF AERONAUTICS & ASTRONAUTICS
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

However, the ergodic algorithm is used to obtain the energy minimum value during the calculation simulation process, and the calculation cycle is long in the process of searching for the energy minimum value.

Method used

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  • A Calculation Method for Buckling Deformation of Graphene-Flexible Substrate Structures
  • A Calculation Method for Buckling Deformation of Graphene-Flexible Substrate Structures
  • A Calculation Method for Buckling Deformation of Graphene-Flexible Substrate Structures

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Experimental program
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Embodiment 1

[0068] In this simulation calculation, the initial tensile strain ε 0 = 40%, the strain after release is ε r =0; the initial length of PDMS is 19.6241nm, the width is 3.9704nm, the height is 4nm, and its density is 0.8×10 3 kg / m 3 , the elastic modulus is 2.63MPa; the elastic modulus and thickness of graphene are 1.1TPa and 0.335nm respectively, the total number of initial parent individuals is set to 20 groups, the evolution times are set to 50 times, and the crossover and mutation probabilities are set to 0.6 and 0.1 .

[0069] Initially set A g 、A s , λ and h genetic search ranges are [0, 3.9]nm, [0, 3.9]nm, [10, 300]nm and [0.01, 0.4]nm, the A g 、A s , λ and h are A g = 1.1918nm, A s = 0.1006nm, λ = 115.9660nm and h = 0.3000nm, the energy minimum is 8.406×10 -4 pJ, which is 1.636×10 less than its energy at perfect planarity -3 pJ should be small, and the calculation time of the whole result is about 90 minutes.

[0070] Compared with the previous traversal algor...

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Abstract

A calculation method for buckling deformation of a graphene-flexible substrate structure, comprising the steps of: establishing an atomic model of graphene; establishing an atomic model of a flexible substrate; calculating the total potential energy of graphene and its elastic substrate; seeking the minimum potential energy. The invention improves the numerical precision of the result by combining the genetic algorithm to optimize the calculation, and greatly reduces the calculation time, which is beneficial to the analog calculation of samples of the same larger size in the future.

Description

technical field [0001] The invention belongs to the technical field of micro-nano composite materials, and in particular relates to a calculation method for buckling deformation of a graphene-flexible substrate structure. Background technique [0002] Graphene is a kind of honeycomb planar film formed by sp2 hybridization of carbon atoms, and it is a quasi-two-dimensional material with only one atomic layer thickness. Due to its very good strength, flexibility, electrical conductivity, thermal conductivity, and optical properties, it has been greatly developed in the fields of physics, materials science, electronic information, computers, and aerospace. Graphene films produced by chemical vapor deposition are released after a tensile strain of 40%, with less than 0.2% plastic deformation, and without any damage to the interior, making them potentially Stretching electrode materials for electrical energy storage devices. Since the buckling morphology of graphene depends lar...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16C60/00G16C20/70G06N3/12
CPCG06N3/126G06F30/20
Inventor 高希光袁雨浓
Owner NANJING UNIV OF AERONAUTICS & ASTRONAUTICS
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