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Method for controlling post-buckling morphology of molybdenum disulfide by utilizing kirigami based on molecular dynamics

A technology of molecular dynamics and molybdenum disulfide, applied in the fields of informatics, computer materials science, instruments, etc., can solve the problem that there is no effective method to control the post-buckling morphology of nano-devices, and achieve easy implementation, mature development, and easy material acquisition Effect

Active Publication Date: 2020-04-10
CHINA UNIV OF MINING & TECH
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0004] Due to the complexity and precise operation requirements at the nanoscale, there is no effective way to control the post-buckling morphology of nanodevices, which has become one of the main reasons for limiting the design and wide application of nanolayered structures.

Method used

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  • Method for controlling post-buckling morphology of molybdenum disulfide by utilizing kirigami based on molecular dynamics
  • Method for controlling post-buckling morphology of molybdenum disulfide by utilizing kirigami based on molecular dynamics
  • Method for controlling post-buckling morphology of molybdenum disulfide by utilizing kirigami based on molecular dynamics

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Embodiment 1

[0031] Example 1: A method based on molecular dynamics using kirigami to control the post-buckling morphology of molybdenum disulfide, including constructing a single-layer molybdenum disulfide model and performing kirigami operations on it, performing molecular dynamics simulation on the buckling process, using kirigami achieves precise control over the post-buckling morphology of molybdenum disulfide, as Figure 1 to Figure 5 Shown, the implementation of the present invention can carry out according to the following steps:

[0032] Step 1: Construct a single-layer molybdenum disulfide model part based on the molecular dynamics simulation software Materials Studio and perform kirigami operation (hollowout operation) on it. build first The single-layer molybdenum disulfide model, and then perform kirigami operation on it, so that the kirigami (hollow figure) is in the center of the molybdenum disulfide, and the designed kirigami (hollow figure) has a length of wide as Su...

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Abstract

The invention discloses a method for controlling the post-buckling morphology of molybdenum disulfide by utilizing kirgiami based on molecular dynamics. The method is mainly characterized in that thefeasibility of controlling the post-buckling morphology of molybdenum disulfide by utilizing kirgiami is proved by virtue of a molecular dynamics theory and simulation calculation software. Accordingto the method, the post-buckling morphology is controlled in another way; different from a traditional method based on component appearance size changing, the method creatively utilizes different kirigami types to control the nanoscale post-buckling form, is simple in principle and accurate in measurement, provides a basis and a basis for practical application of nanoscale buckling deformation detection, and has wide application prospects and a guiding value.

Description

technical field [0001] The invention belongs to the technical field of nanomaterial surface / interface, and relates to a method for controlling nanoscale post-buckling morphology based on molecular dynamics simulation. Background technique [0002] Due to its superior mechanical properties, two-dimensional layered structures have been widely studied and applied, such as image sensors, bionic artificial compound eyes and flexible electronic devices. However, in the application of these layered structures, buckling will inevitably occur, and uncontrolled bending is often prone to irreversible deformation or even breaking, which is a mechanical phenomenon that affects the safety of the entire device. Therefore, controlling the post-buckling morphology is crucial in numerous layered structural applications. [0003] Postbuckling, the phenomenon in which structures continue to buckle after reaching a critical strain, is a key factor in characterizing the safety properties of mate...

Claims

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Application Information

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IPC IPC(8): G16C60/00
CPCG16C60/00
Inventor 陈培见韩业坤彭娟刘昊高峰赵玉成罗宁
Owner CHINA UNIV OF MINING & TECH
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