CN-121999933-A - Simulation method and related device for preparing aluminum-tin-copper film by magnetron sputtering

CN121999933ACN 121999933 ACN121999933 ACN 121999933ACN-121999933-A

Abstract

The application discloses a simulation method for preparing an aluminum-tin-copper film by magnetron sputtering and a related device, and relates to the technical field of simulation, wherein the method comprises the steps of simulating the process of bombarding an aluminum-tin-copper alloy target by argon ions according to the energy range of the preset argon ions to obtain sputtering atomic data; based on sputtering atomic data, simulating a process of moving aluminum atoms, tin atoms and copper atoms from a target surface to a substrate by using a built target three-dimensional model of magnetron sputtering equipment to obtain atomic arrival substrate data, preprocessing a copper substrate in a built simulation box to obtain a target molecular dynamics simulation system, determining deposition parameters according to the atomic arrival substrate data, and carrying out aluminum tin copper film deposition process simulation and relaxation treatment on the target molecular dynamics simulation system based on the deposition parameters to obtain a microstructure model of the aluminum tin copper film. The application provides a simulation method for the process development and optimization of preparing the high-performance aluminum tin copper film by magnetron sputtering.

Inventors

LIU WEIMIN
XU SHUSHENG
CHEN HAOJIE
REN ZHENGHAO
ZHENG LIWEI
WANG GANGGANG

Assignees

烟台先进材料与绿色制造山东省实验室
中国科学院兰州化学物理研究所

Dates

Publication Date: 20260508
Application Date: 20260127

Claims (10)

1. The simulation method for preparing the aluminum-tin-copper film by magnetron sputtering is characterized by comprising the following steps of: Simulating the process of bombarding an aluminum-tin-copper alloy target by argon ions according to the preset energy range of the argon ions to obtain sputtering atomic data, wherein the sputtering atomic data comprises initial angular distribution and initial energy distribution of aluminum atoms, tin atoms and copper atoms sputtered from the aluminum-tin-copper alloy target; Constructing a target three-dimensional model of magnetron sputtering equipment, and simulating the process of moving the aluminum atoms, the tin atoms and the copper atoms from a target surface to a substrate by using the target three-dimensional model based on the sputtering atom data to obtain atom arrival substrate data, wherein the atom arrival substrate data comprises deposition energy and deposition flux when the aluminum atoms, the tin atoms and the copper atoms arrive at the substrate; Constructing a simulation box comprising a copper substrate and a vacuum layer, and preprocessing the copper substrate in the simulation box to obtain a target molecular dynamics simulation system; and determining deposition parameters according to the atomic arrival matrix data, and performing aluminum-tin-copper film deposition process simulation and relaxation treatment on the target molecular dynamics simulation system based on the deposition parameters to obtain a microstructure model of the aluminum-tin-copper film.
2. The simulation method for preparing the aluminum-tin-copper film by magnetron sputtering according to claim 1, wherein the simulation is performed on the process of bombarding an aluminum-tin-copper alloy target by argon ions according to the preset energy range of the argon ions, so as to obtain sputtering atomic data, and the simulation method specifically comprises the following steps: According to the energy range of the preset argon ions and the components of the aluminum-tin-copper alloy target, simulating the process of bombarding the aluminum-tin-copper alloy target by utilizing a Monte Carlo algorithm in a range simulation program by utilizing the ions in a substance, and outputting a summarized data file of sputtering information comprising aluminum atoms, tin atoms and copper atoms; And processing the summarized data file to respectively obtain initial angle distribution and initial energy distribution of the aluminum atoms, initial angle distribution and initial energy distribution of the tin atoms and initial angle distribution and initial energy distribution of the copper atoms.
3. The simulation method for preparing the aluminum-tin-copper film by magnetron sputtering according to claim 1, wherein a target three-dimensional model of a magnetron sputtering device is constructed, and based on the sputtering atomic data, a process of moving the aluminum atoms, the tin atoms and the copper atoms from a target surface to a substrate is simulated by using the target three-dimensional model to obtain atomic arrival substrate data, and the simulation method specifically comprises the following steps: According to the acquired physical parameters of the magnetron sputtering equipment, an initial three-dimensional model of the magnetron sputtering equipment is constructed by utilizing an ion and material transmission simulation program; Generating corresponding target surface etching track distribution in the initial three-dimensional model based on the obtained target surface ion energy distribution to obtain a target three-dimensional model; and simulating the process of moving the aluminum atoms, the tin atoms and the copper atoms from the target surface to the substrate by utilizing the target three-dimensional model based on the sputtering atom data, so as to obtain atom arrival substrate data.
4. The simulation method for preparing the aluminum-tin-copper film by magnetron sputtering according to claim 1, wherein a simulation box comprising a copper substrate and a vacuum layer is constructed, and the copper substrate in the simulation box is preprocessed to obtain an initial molecular dynamics simulation system, and the simulation method specifically comprises the following steps: Based on the obtained physical parameters of the copper substrate, utilizing LAMMPS software to construct a simulation box comprising the copper substrate and a vacuum layer, wherein the copper substrate is a face-centered cubic crystal formed by copper atoms, and is divided into a Newton layer, a constant temperature layer and a fixed layer from top to bottom along the height direction; And performing energy minimization calculation on the copper substrate in the simulation box by using a preset mixed potential function to obtain a first molecular dynamics simulation system, and performing relaxation treatment on the first molecular dynamics simulation system by using an equal particle number, an equal volume and an isothermal ensemble based on a preset temperature to obtain an initial molecular dynamics simulation system, wherein the mixed potential function comprises a modified embedded atomic potential for describing interaction among aluminum atoms, tin atoms and copper atoms and a lunrade-jones potential for describing interaction among argon ions, aluminum atoms, tin atoms and copper atoms.
5. A simulation method for preparing an aluminum-tin-copper film by magnetron sputtering according to claim 1, wherein the deposition parameters include deposition rates of argon ions, aluminum atoms, tin atoms and copper atoms and deposition time intervals of argon ions, aluminum atoms, tin atoms and copper atoms.
6. The simulation method for preparing the aluminum-tin-copper film by magnetron sputtering according to claim 5, wherein the simulation process simulation and relaxation treatment are carried out on the target molecular dynamics simulation system based on the deposition parameters to obtain a microstructure model of the aluminum-tin-copper film, and the simulation method specifically comprises the following steps: The initialization operation comprises a temperature recalibration system, a speed setting command and a region definition command, wherein the temperature recalibration system is used for carrying out constant temperature control on a constant temperature layer in the target molecular dynamics simulation system, the speed setting command is used for zeroing the atomic speed of a fixed layer in the target molecular dynamics simulation system, endowing the atomic of the constant temperature layer with Gaussian distribution speed and endowing the atomic of a Newton layer with random initial speed conforming to Maxwell-Boltzmann distribution, and the region definition command is used for defining a deposition region of the atomic and a deletion region of the atomic; Based on the deposition parameters, performing aluminum-tin-copper film deposition process simulation on the initialized target molecular dynamics simulation system by using a deposition command to obtain an initial deposition state; And relaxation treatment is carried out on the initial deposition state by utilizing an equal particle number, an equal volume and an isothermal ensemble, so as to obtain the microstructure model of the aluminum-tin-copper film.
7. The simulation method for preparing an aluminum-tin-copper film by magnetron sputtering according to claim 6, wherein after the step of performing simulation and relaxation treatment on the deposition process of the aluminum-tin-copper film on the target molecular dynamics simulation system based on the deposition parameters to obtain the microstructure model of the aluminum-tin-copper film, the simulation method further comprises: And performing visual analysis on the microstructure model of the aluminum-tin-copper film by using an open type visual tool to obtain visual analysis results, wherein the visual analysis results comprise atomic spatial distribution, crystal structure order degree, surface roughness and internal stress of the aluminum-tin-copper film.
8. The simulator for preparing the aluminum-tin-copper film by magnetron sputtering is characterized by comprising the following components: The sputtering atomic data acquisition module is used for simulating the process of bombarding the aluminum-tin-copper alloy target by the argon ions according to the preset energy range of the argon ions to obtain sputtering atomic data, wherein the sputtering atomic data comprises initial angle distribution and initial energy distribution of aluminum atoms, tin atoms and copper atoms sputtered from the aluminum-tin-copper alloy target; The target element motion process simulation module is used for constructing a target three-dimensional model of the magnetron sputtering equipment, and simulating the process of moving the aluminum atoms, the tin atoms and the copper atoms from the target surface to the substrate by utilizing the target three-dimensional model based on the sputtering atom data to obtain atom arrival substrate data, wherein the atom arrival substrate data comprises deposition energy and deposition flux when the aluminum atoms, the tin atoms and the copper atoms arrive at the substrate; The molecular dynamics modeling module is used for constructing a simulation box comprising a copper substrate and a vacuum layer, and preprocessing the copper substrate in the simulation box to obtain a target molecular dynamics simulation system; And the film deposition simulation module is used for determining deposition parameters according to the atomic arrival matrix data, and carrying out aluminum tin copper film deposition process simulation and relaxation treatment on the target molecular dynamics simulation system based on the deposition parameters to obtain a microstructure model of the aluminum tin copper film.
9. Computer device comprising a memory, a processor and a computer program stored on the memory and capable of running on the processor, characterized in that the processor executes the computer program to implement a simulation method of magnetron sputtering producing an aluminium-tin-copper film according to any one of claims 1-7.
10. A computer readable storage medium having stored thereon a computer program, which when executed by a processor performs the simulation method of magnetron sputtering producing an aluminum tin copper thin film according to any of claims 1 to 7.

Description

Simulation method and related device for preparing aluminum-tin-copper film by magnetron sputtering Technical Field The application relates to the technical field of simulation, in particular to a simulation method for preparing an aluminum-tin-copper film by magnetron sputtering and a related device. Background The rapid development of the high and new technical field brings up increasingly urgent performance demands on lubricating protective materials and engineering lubricating technologies which are used under extreme working conditions. Particularly in critical moving parts such as diesel engine bushings, the materials need to not only operate stably under severe conditions of high speed and high load, but also have extremely high reliability and longer service life, which pose serious challenges to conventional lubricating materials and techniques. To meet this demand, the development of high-performance thin film lubricating materials is an important technical development direction. Among them, physical vapor deposition technology, particularly magnetron sputtering technology, has received attention because it exhibits unique advantages in preparing aluminum tin copper composite films. The film prepared by the technology has the characteristics of excellent film base binding force, lower internal stress level, compact structure, accurate regulation and control of chemical components and the like, has comprehensive properties remarkably superior to those of the traditional electroplating coating, and has wide application prospect. Although the magnetron sputtering technology has obvious advantages in preparing the high-performance aluminum-tin-copper lubricating film, the internal association mechanism between the technological process and the film performance is not completely clear, which restricts the further optimization and the accurate application of the technology to a certain extent. Current technical practice shows that in the magnetron sputtering process, a series of complex physical processes such as sputtering behavior of the target, transport process of deposited particles, growth dynamics of the thin film and the like are involved, and these processes jointly determine the microstructure and macroscopic properties of the final coating. However, the specific impact of these processes on the coating growth mechanism and final properties has not been fully revealed. Particularly in actual preparation, how key process parameters such as target atom incident energy, particle deposition flux and the like specifically influence key structural characteristics such as micro roughness, internal stress distribution and the like of the film, and further determine comprehensive service performance of the film, and further, systematic and intensive research is still needed. Therefore, a theoretical research tool or method capable of deeply understanding the growth process of the aluminum-tin-copper lubricating film from a microscopic level and effectively guiding the optimization of process parameters and improving the performance of the film is needed. Disclosure of Invention The application aims to provide a simulation method and a related device for preparing an aluminum-tin-copper film by magnetron sputtering, which can provide a simulation method for process development and optimization of preparing a high-performance aluminum-tin-copper film by magnetron sputtering. In order to achieve the above object, the present application provides the following solutions: in a first aspect, the application provides a simulation method for preparing an aluminum-tin-copper film by magnetron sputtering, which comprises the following steps: Simulating the process of bombarding an aluminum-tin-copper alloy target by argon ions according to the preset energy range of the argon ions to obtain sputtering atomic data, wherein the sputtering atomic data comprises initial angular distribution and initial energy distribution of aluminum atoms, tin atoms and copper atoms sputtered from the aluminum-tin-copper alloy target; Constructing a target three-dimensional model of magnetron sputtering equipment, and simulating the process of moving the aluminum atoms, the tin atoms and the copper atoms from a target surface to a substrate by using the target three-dimensional model based on the sputtering atom data to obtain atom arrival substrate data, wherein the atom arrival substrate data comprises deposition energy and deposition flux when the aluminum atoms, the tin atoms and the copper atoms arrive at the substrate; Constructing a simulation box comprising a copper substrate and a vacuum layer, and preprocessing the copper substrate in the simulation box to obtain a target molecular dynamics simulation system; and determining deposition parameters according to the atomic arrival matrix data, and performing aluminum-tin-copper film deposition process simulation and relaxation treatment on the target molecular dynamics simul