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Simulation test method of pressure-resistant performance of nanometer silicon nitride microspheres

A technology of nano-silicon nitride and compressive performance, which is applied in design optimization/simulation, special data processing applications, instruments, etc., to achieve the effect of reducing experimental costs

Inactive Publication Date: 2018-04-13
LANZHOU UNIVERSITY OF TECHNOLOGY
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

The simulation test of the compressive performance of silicon nitride microspheres has not been reported yet

Method used

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Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0023] (1) Use the Materials Studio simulation software to establish a silicon nitride unit cell model, the space group is P63 / m, hexagonal crystal system, contains two basic units, a total of 14 atoms, the initial unit cell parameters are a=7.607 angstroms, c= 2.911 angstroms, α=β=90°, γ=120°, the model constructed is that Si-N layers are stacked in ABAB order, silicon atoms occupy the 6h position, nitrogen occupies the 2c and 6h positions, and optimize it , and then expand the supercell to establish a sphere model with a diameter of 5-10 nanometers;

[0024] (2) Calculate the atomic coordinates of the established silicon nitride sphere model using the standpoint, and then export the coordinate file, which will generate a file with the suffix name of car, and use the MS2LMP function in the dynamics software lammps to convert it into the coordinate file required for dynamics. named data.Si 3 N 4 ;

[0025] (3) Write the input file, which is defined as free boundary conditio...

Embodiment 2

[0029] (1) Use the Materials Studio simulation software to establish a silicon nitride unit cell model, the space group is P63 / m, hexagonal crystal system, contains two basic units, a total of 14 atoms, the initial unit cell parameters are a=7.607Å, c= 2.911 Å, α=β=90°, γ=120°, silicon atoms occupy the 6h position, nitrogen occupies the 2c and 6h positions, optimize it, and then expand the supercell, and establish the long and short axes of 10 nanometers and 5 nanometers The ellipsoid model;

[0030] (2) Calculate the atomic coordinates of the established silicon nitride ellipsoid model using the standpoint, and then export the coordinate file, which will generate a file with the suffix name of car, and use the MS2LMP function in the dynamics software lammps to convert it into the coordinate file required for dynamics , named data.Si 3 N 4 ;

[0031] (3) Write the input file, which is defined as free boundary conditions, the atomic mode is atomic, the indenter is pressed in...

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Abstract

The invention discloses a simulation test method of the pressure-resistant performance of nanometer silicon nitride microspheres, and belongs to the field of material test. The method comprises the following main steps of building a silicon nitride unit cell model; after relaxation optimization, building a nanometer silicon nitride microsphere supercell model; using a three-dimensional field to calculate atom coordinates; exporting a coordinate file; converting the coordinate file into a coordinate file required by dynamics; defining the simulation boundary condition, the pressure head dimension, the operation step number and the like in an input file; then, merging an execution file and a potential function; running the pressure-resistant performance simulation test process; observing thestructure change (including the external shape and the inside key fracture conditions) every certain steps by using visual software; drawing a curve; and determining the elastic-plastic interval of the pressure-resistant performance of the nanometer silicon nitride microspheres and the stress values of different strain points.

Description

technical field [0001] The invention specifically relates to a simulation test method for the compressive performance of nanometer silicon nitride microspheres, which belongs to the technical field of material testing. Background technique [0002] Silicon nitride is an advanced ceramic material integrating structure and function. It is not only a superhard substance itself, but also has the advantages of lubricity, wear resistance, oxidation resistance, low density, etc., and has excellent electrical and thermal properties. For example, The temperatures used in oxidizing and reducing atmospheres can reach 1400 degrees and 1850 degrees respectively. It can also resist cold and heat shocks, and it will not shatter when heated to above 1000 degrees in the air. However, similar to other ceramics, the plasticity and toughness are relatively low, and various scholars have adopted many methods to improve them, such as using fibers and whiskers to toughen, zirconia phase transfor...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50
CPCG06F30/20
Inventor 卢学峰郭鑫任军强高绪赵婷婷雷青峰喇培清
Owner LANZHOU UNIVERSITY OF TECHNOLOGY
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