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Laminar metal composite material interface bonding energy calculating method

A technology of interface bonding and composite materials, which is applied in computational theoretical chemistry, instrumentation, informatics, etc., can solve the problem of less interface bonding performance at the microscopic molecular level, and achieve the effect of reducing manufacturing risks and improving yield

Pending Publication Date: 2019-01-18
TAIYUAN UNIVERSITY OF SCIENCE AND TECHNOLOGY
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  • Description
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  • Application Information

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Problems solved by technology

At present, when applying composite materials at home and abroad, most of them use macroscopic test methods to explore the interfacial bonding properties of composite materials, and there are few researches on the interfacial bonding properties at the microscopic molecular level.

Method used

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  • Laminar metal composite material interface bonding energy calculating method
  • Laminar metal composite material interface bonding energy calculating method
  • Laminar metal composite material interface bonding energy calculating method

Examples

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Embodiment Construction

[0040] Taking the oil film bearing tin-based Babbitt alloy ZChSnSb8-4 three-layer structure bushing as an example, the bushing structure from the outside to the inside of each layer of materials is as follows: steel body layer 6, tin-plated layer 5, Babbitt alloy layer 4 , as attached figure 2 shown.

[0041] 1. Build the model in the Visualizer module in the software Materials Studio. When building the model, according to the parameters of the crystal structure, use the Build crystals tool to build the unit cell structure of each layer of material.

[0042] 2. Use the Cleave Surface tool to perform a simple section on each unit cell, and at the same time expand the unit cell into a certain proportion of supercell. Use the Build Vacuum Slab tool to change the obtained structure from a 2D structure to a 3D structure, and set its vacuum layer thickness. Use the Typing function in the Discover Setup tool to assign a force field to all atoms in the unit cell. After that, Mini...

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Abstract

The invention discloses a laminar metal composite material interface bonding energy calculating method, and belongs to the field of composite material interface bonding performance research. The laminar metal composite material interface bonding energy calculating method is characterized in that the method for judging whether the composite material interface bonding performance is good or not by using the magnitude of interface bonding energy is provided by analyzing from a micro level; the method specifically comprises the following steps: performing molecular modelling on a unit cell structure of a material with a molecular dynamics software Material Studio according to various parameters of the unit cell structure; performing simulated calculation by utilizing an energy module in the software to obtain the energy of each layer of the material and then obtaining the bonding energy between adjacent interfaces; judging a dangerous interface of a laminar metal composite material according to the magnitude of the bonding energy; by adopting the method, the avoidance of the situation that the laminar metal composite material fails and falls off because of unfirm bonding in engineeringpractice in time is facilitated, and the bonding performance between composite material interfaces can be effectively verified, so that a production process is guided and designed, a manufacturing risk is reduced and the yield of products is improved.

Description

technical field [0001] The invention belongs to the technical field of research on interfacial binding performance of composite materials, and in particular relates to a calculation method for interfacial binding energy of layered metal composite materials. Background technique [0002] The development of modern high-tech is inseparable from composite materials. Its research depth and application breadth, as well as the speed and scale of production development, have become one of the important symbols to measure the advanced level of a country's material application field. At present, when applying composite materials at home and abroad, most of them use macroscopic test methods to explore the interfacial bonding properties of composite materials, and there are few researches on the interfacial bonding properties at the microscopic molecular level. In recent years, new progress has been made in studying the interfacial bonding properties of composite materials at the micros...

Claims

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Application Information

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IPC IPC(8): G16C10/00
Inventor 王建梅夏全志侯定邦麻扬姚坤
Owner TAIYUAN UNIVERSITY OF SCIENCE AND TECHNOLOGY
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