CN-121980823-A - Indium tin oxide mechanical property simulation method and device and electronic equipment

CN121980823ACN 121980823 ACN121980823 ACN 121980823ACN-121980823-A

Abstract

The invention provides an indium tin oxide mechanical property simulation method, an indium tin oxide mechanical property simulation device and electronic equipment, and relates to the technical field of indium tin oxide simulation, wherein the indium tin oxide mechanical property simulation method comprises the steps of carrying out proton irradiation simulation on a material virtual model of indium tin oxide according to acquired proton environment parameters to obtain primary recoil atomic characteristic data; performing atomic collision simulation according to the primary recoil atomic characteristic data and the obtained cell expansion model of the indium tin oxide to obtain defect atomic concentration, constructing a defect indium tin oxide model according to the defect atomic concentration, and performing a tensile test on the defect indium tin oxide model to obtain defect stress strain data. The invention can improve the accuracy of the simulation of the mechanical properties of the indium tin oxide.

Inventors

HE DUANPENG
GAO HUAXING
LI YAN
YU XIANGTIAN
Qin Huitong
ZHU TONGXIANG
HAN DAN
CAO RONGXING
XUE YUXIONG

Assignees

中国空间技术研究院

Dates

Publication Date: 20260505
Application Date: 20260403

Claims (10)

1. The method for simulating the mechanical properties of the indium tin oxide is characterized by comprising the following steps of: Carrying out proton irradiation simulation on the material virtual model of indium tin oxide according to the acquired proton environment parameters to obtain primary recoil atomic characteristic data; performing atomic collision simulation according to the primary recoil atomic characteristic data and the obtained indium tin oxide cell expansion model to obtain defect atomic concentration; constructing a defective indium tin oxide model according to the defect atom concentration; And carrying out a tensile test on the defective indium tin oxide model to obtain defective stress strain data.
2. The method for simulating mechanical properties of indium tin oxide according to claim 1, wherein the step of performing proton irradiation simulation on the material virtual model of indium tin oxide according to the acquired proton environment parameters to obtain primary recoil atomic characteristic data comprises the following steps: Constructing a material virtual model of the indium tin oxide based on a Monte Carlo method; Constructing a proton irradiation environment according to the proton environment parameters, wherein the proton environment parameters comprise a plurality of protons with different energies; and carrying out proton irradiation simulation on the material virtual model through the proton irradiation environment to obtain the primary recoil atomic characteristic data.
3. The method for simulating mechanical properties of indium tin oxide according to claim 1, wherein the performing atomic collision simulation according to the primary recoil atomic characteristic data and the obtained cell expansion model of indium tin oxide to obtain a defect atomic concentration comprises: obtaining the atomic ratio, the energy distribution and the spatial distribution of the primary recoil atoms according to the characteristic data of the primary recoil atoms; Screening primary recoil atoms from the cell expansion model according to the atom duty ratio, the energy distribution and the spatial distribution; And simulating atom cascade collision by presetting initial collision energy according to the primary recoil atoms, and obtaining the defect atom concentration.
4. The method for simulating mechanical properties of indium tin oxide according to claim 3, wherein the step of simulating atomic cascade collisions by presetting initial collision energy according to the primary recoil atoms to obtain the defect atomic concentration comprises the steps of: Cascade collision is carried out on the primary recoil atoms and adjacent atoms by the preset initial collision energy; when the cascade collision is terminated, acquiring the total number of off-site atoms in the cell expansion model; dividing the total number of off-site atoms by the total number of atoms of the cell-expanding model to obtain the defect atom concentration.
5. The method for simulating mechanical properties of indium tin oxide according to claim 4, wherein the method for determining termination of cascade collision comprises: Determining the atoms after the cascade collision as recoil atoms; Determining the relationship between the recoil atoms after two collisions and preset potential energy as corresponding atom collision potential energy; Based on the principle of conservation of energy, obtaining the kinetic energy of the recoil atoms corresponding to the recoil atoms after collision according to the atomic collision potential energy and the corresponding recoil atoms; and when all the kinetic energy of the recoil atoms is smaller than the preset kinetic energy, judging that the cascade collision is terminated.
6. The method for simulating mechanical properties of indium tin oxide according to claim 5, wherein the predetermined potential energy relationship satisfies: ; Wherein E S is the atomic collision potential energy, r is the distance between two recoil atoms, r 1 is a first preset interval demarcation point, r 2 is a second preset interval demarcation point, Z 1 and Z 2 are the atomic numbers of the two recoil atoms in collision respectively, E is the electron charge amount, epsilon 0 is the vacuum dielectric constant, a is the shielding length, phi is the electron shielding function, B 0 is the constant term coefficient, B 1 is the first term coefficient, B 2 is the second term coefficient, B 3 is the third term coefficient, B 4 is the fourth term coefficient, B 5 is the fifth term coefficient, a is the repulsive strength parameter, ρ is the repulsive attenuation constant, and C is the chromatic dispersion attraction coefficient.
7. The method for simulating mechanical properties of indium tin oxide according to claim 5, wherein the kinetic energy of recoil atoms satisfies: ; Wherein E 1 is the kinetic energy of the active recoil atom of the two colliding recoil atoms, E 2 is the kinetic energy of the passive recoil atom of the two colliding recoil atoms, M 1 is the atomic mass of the active recoil atom, M 2 is the atomic mass of the passive recoil atom, E S is the atomic collision potential energy, E O is the initial atomic potential energy of the two recoil atoms before collision, and phi is the scattering angle.
8. The method for simulating mechanical properties of indium tin oxide according to claim 1, wherein the method for constructing the cell expansion model comprises the following steps: Constructing a single cell model of the indium tin oxide based on the obtained crystallographic data of the indium tin oxide; And expanding the single cell model according to a preset cell expansion size to obtain the cell expansion model, wherein the preset cell expansion size comprises an X-direction lattice preset multiple, a Y-direction lattice preset multiple and a Z-direction lattice preset multiple.
9. An indium tin oxide mechanical property simulation device, which is characterized by comprising: the irradiation module is used for carrying out proton irradiation simulation on the material virtual model of the indium tin oxide according to the acquired proton environment parameters to obtain primary recoil atomic characteristic data; The collision module is used for performing atomic collision simulation according to the primary recoil atomic characteristic data and the obtained indium tin oxide cell expansion model to obtain defect atomic concentration; The construction module is used for constructing a defective indium tin oxide model according to the defect atomic concentration; And the stretching module is used for carrying out a stretching test on the defective indium tin oxide model to obtain defective stress strain data.
10. An electronic device comprising a memory and a processor; The memory is used for storing a computer program; The processor is configured to implement the method for simulating mechanical properties of indium tin oxide according to any one of claims 1 to 8 when executing the computer program.

Description

Indium tin oxide mechanical property simulation method and device and electronic equipment Technical Field The invention relates to the technical field of indium tin oxide simulation, in particular to an indium tin oxide mechanical property simulation method and device and electronic equipment. Background Indium Tin Oxide (ITO) has irreplaceable application value in the fields of aerospace, electronic devices and the like as a multi-element Oxide material with high transparency, excellent conductivity and corrosion resistance. In particular, in the field of deep space exploration, ITO is often used as a core component of a thermal control film for a spacecraft, and its performance stability is directly related to the safety and reliability of the on-orbit operation of the detector. However, the spacecraft is exposed to a complex space irradiation field for a long time in a deep space environment, wherein protons serve as main radiation particles, so that the mechanical properties of the ITO material are degraded, and the service life of the spacecraft is further influenced. Therefore, the ITO mechanical property simulation research is developed, the defect evolution rule and the mechanical property change trend of the material in the proton irradiation environment can be accurately predicted, key theoretical support is provided for optimization of selection, structural design and service life assessment of the spacecraft thermal control film material, and the method has important significance for guaranteeing smooth implementation of deep space exploration tasks. However, the traditional simulation method mostly adopts a single-scale simulation framework, so that the trans-scale coupling effect of macroscopic energy deposition and microscopic defect evolution in the proton irradiation process is difficult to consider, the whole chain physical process of the mechanical property degradation of the material from the proton incidence cannot be completely reproduced, the deviation between the simulation result and actual test data is caused, and the accuracy of the indium tin oxide mechanical property simulation is affected. Disclosure of Invention The invention solves the problem of how to improve the accuracy of the simulation of the mechanical properties of indium tin oxide. In order to solve the problems, the invention provides an indium tin oxide mechanical property simulation method and device and electronic equipment. In a first aspect, the invention provides a method for simulating mechanical properties of indium tin oxide, which comprises the following steps: Carrying out proton irradiation simulation on the material virtual model of indium tin oxide according to the acquired proton environment parameters to obtain primary recoil atomic characteristic data; performing atomic collision simulation according to the primary recoil atomic characteristic data and the obtained indium tin oxide cell expansion model to obtain defect atomic concentration; constructing a defective indium tin oxide model according to the defect atom concentration; And carrying out a tensile test on the defective indium tin oxide model to obtain defective stress strain data. Optionally, performing proton irradiation simulation on the material virtual model of indium tin oxide according to the acquired proton environment parameters to obtain primary recoil atomic characteristic data, including: Constructing a material virtual model of the indium tin oxide based on a Monte Carlo method; Constructing a proton irradiation environment according to the proton environment parameters, wherein the proton environment parameters comprise a plurality of protons with different energies; and carrying out proton irradiation simulation on the material virtual model through the proton irradiation environment to obtain primary recoil atomic characteristic data. Optionally, performing atomic collision simulation according to the primary recoil atomic characteristic data and the obtained cell expansion model of the indium tin oxide to obtain defect atomic concentration, including: obtaining the atomic ratio, the energy distribution and the spatial distribution of the primary recoil atoms according to the characteristic data of the primary recoil atoms; Screening primary recoil atoms from the cell expansion model according to the atom duty ratio, the energy distribution and the spatial distribution; and simulating atom cascade collision according to the primary recoil atoms through preset initial collision energy, and obtaining the defect atom concentration. Optionally, the simulating the atomic cascade collision according to the primary recoil atoms through preset initial collision energy to obtain the defect atomic concentration includes: Cascade collision is carried out on the primary recoil atoms and adjacent atoms by the preset initial collision energy; when the cascade collision is terminated, acquiring the total number of off-site atoms in the ce