Research method for graphene interlayer phonon friction under layer number and load coupling
A load coupling, graphene layer technology, applied in the field of molecular dynamics, can solve problems such as high frictional energy consumption and reduced frictional energy consumption
Pending Publication Date: 2022-05-06
LANZHOU UNIVERSITY OF TECHNOLOGY
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Problems solved by technology
When the velocity is low, the lifetime of the phonon decreases with the increase of the velocity, resulting in higher frictional energy consumption; while when the velocity exceeds a critical value, the lifetime of the phonon is much longer than the period of the probe crossing the single crystal lattice , the phonons at the interface do not have enough time to be dissipated, resulting in a gradual decrease in frictional energy consumption as the velocity increases
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[0037] The present invention takes single / double-layer graphene as the research object, and explores the inner mechanism of phonon excitation and transport in the friction process between graphene layers under the coupling of layers and loads. The research method of phonon friction between graphene layers under a kind of layer number and load coupling of the present invention specifically comprises the following contents:
[0038] (1) Establish molecular dynamics model
[0039] refer to figure 1 The molecular dynamics model shown uses non-equilibrium molecular dynamics to simulate the friction process of the graphene system under the micro-canonical ensemble.
[0040] The model includes a substrate and a probe graphene on the substrate to simulate the adsorption of the atomic force microscope probe. The substrate is supported by a rigid body. The substrate includes single-layer graphene 1LG and double-layer graphene 2LG, which can be used according to requirements.
[0041] ...
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The invention relates to a research method for graphene interlayer phonon friction under layer number and load coupling, single / double-layer graphene is taken as a research object, a molecular dynamics model is established, a substrate in the model is supported by a rigid body, and phonon transport is the only friction energy consumption mode; by comparing the change of the friction force under different layers and different normal loads and combining the change of the corresponding phonon spectrum, the influence of the layers and the normal loads on the friction force of the graphene is determined, and an internal mechanism is disclosed, that is, the increase of the acoustic mode number is a direct reason causing the increase of the friction force. The influence of the normal load on the in-plane and normal deformation in the friction process and the dependency relationship of the friction force on the in-plane heat conductivity are further determined. The method disclosed by the invention can provide theoretical guidance for regulating and controlling friction and heat transfer behaviors of the graphene-based nano device.
Description
technical field [0001] The invention relates to the technical field of molecular dynamics, in particular to a research method for phonon friction between graphene layers under the coupling of layers and loads. Background technique [0002] Friction is thought to be caused by two closely linked and extremely complex factors, surface roughness and the interaction between contacting surfaces, in the process of converting mechanical energy into thermal energy. In the absence of material damage and plastic deformation, friction is determined by interfacial effects. For non-metallic solid materials, the friction process mainly converts mechanical energy into lattice vibration, which is finally dissipated into heat energy in the form of phonons. During the friction process, a large number of non-equilibrium phonons are excited in the contact area, resulting in a high-temperature area of the contact point; in a short period of time, phonon relaxation is achieved through the scatt...
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IPC IPC(8): G16C10/00G16C60/00
CPCG16C10/00G16C60/00
Inventor 董赟廉芳铭芮执元丁雨松惠伟斌吴思佳付蓉
Owner LANZHOU UNIVERSITY OF TECHNOLOGY