CN114662424A - Thin film deposition simulation method, device, electronic device and storage medium - Google Patents

Abstract

The invention relates to the technical field of data simulation analysis, and specifically discloses a thin film deposition simulation method, device, electronic device and storage medium, wherein the method comprises the following steps: setting a first phase field parameter representing the solidification condition of the thin film and a representative input steam The second phase field parameters of local density; the ballistic deposition phase field model for simulating physical vapor deposition is established according to the first phase field parameters and the second phase field parameters; the ballistic deposition phase field model and the solid thin film are coupled according to the first phase field parameters The Young's modulus of the film is obtained by coupling the ballistic deposition phase field model with the mechanical equilibrium equation to establish the film deposition model; the film deposition simulation is carried out according to the film deposition model; the method realizes the prediction and simulation of the film deposition process, and can reflect the film deposition process according to the simulation results. Deposit morphology and stress distribution characteristics.

Description

Thin film deposition simulation method, device, electronic device and storage medium

technical field

The present application relates to the technical field of data simulation analysis, and in particular, to a thin film deposition simulation method, device, electronic device and storage medium.

Background technique

Coating the device can greatly improve the performance of the device, and the coating technology has important applications in various industrial fields and high-precision device manufacturing.

Physical vapor deposition (PVD) technology is an important technical means for depositing thin films.

In order to correctly study and understand the relationship between film properties and vapor deposition conditions, the existing technology generally uses experimental means to understand the film formation process of different materials under different deposition conditions, but the experiments need to rely on expensive experimental instruments and consume a lot of experimental consumables If the digital simulation method is adopted, the interrelated change factors such as the formation of phases, grains and grain boundaries need to be fully considered. The prior art lacks a simulation model that can accurately describe the relationship between material properties and film evolution.

There is currently no effective technical solution for the above-mentioned problems.

SUMMARY OF THE INVENTION

The purpose of this application is to provide a film deposition simulation method, device, electronic device and storage medium, which can realize the prediction simulation of the film deposition process, and can reflect the film deposition morphology and stress distribution characteristics according to the simulation results.

In a first aspect, the present application provides a thin film deposition simulation method for establishing a digital thin film model to simulate a thin film deposition process, the method comprising the following steps:

Set the first phase field parameter representing the solidification of the film and the second phase field parameter representing the local density of the input steam;

establishing a ballistic deposition phase field model for simulating physical vapor deposition according to the first phase field parameter and the second phase field parameter;

Coupling the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model with the mechanical equilibrium equation to establish a thin film deposition model;

Thin film deposition simulations are performed according to the thin film deposition model.

The thin film deposition simulation method of the present application couples the ballistic deposition phase field model and the Young's modulus of the solid thin film, so that the finally obtained thin film deposition model can reflect the change of the mechanical properties of the thin film, and can simulate the phase field change and thin film during the deposition process of the thin film. The mechanical properties are combined with the simulation to realize the prediction simulation of the thin film deposition process.

The thin film deposition simulation method, wherein the ballistic deposition phase field model and the Young's modulus of the solid thin film are coupled according to the first phase field parameters, so that the ballistic deposition phase field model and the mechanical equilibrium equation are The steps to build a thin film deposition model by coupling include:

Obtain the local solid density parameter of the ballistic deposition phase field model according to the first phase field parameter, couple the local solid density parameter and the Young's modulus of the solid thin film, and obtain the Young's modulus of the local solid density parameter modulus;

obtaining a stress equation according to the Young's modulus with respect to the local solid density parameter and a preset displacement field;

The thin film deposition model is generated from the stress equation and the mechanical equilibrium equation.

The method for simulating thin film deposition, wherein the step of obtaining the local solid density parameter of the ballistic deposition phase field model according to the first phase field parameter includes:

The local solid density parameter is defined as f _d , and the local solid density parameter satisfies:

f _d = ( f + f _max )/2;

f is the first phase field parameter, and f _max is the maximum value of the first phase field parameter.

In the thin film deposition simulation method of this example, f _d can characterize the proportion of solid thin film in the corresponding region, that is, f _d can act as the volume fraction of solid phase in the phase field.

The thin film deposition simulation method, wherein the Young's modulus of the local solid density parameter has a residual modulus coefficient.

In the case where the gas-phase modulus is negligible, the method of the present application sets the residual modulus coefficient to avoid numerical singularities in the obtained thin film deposition model.

The method for simulating thin film deposition, wherein the step of performing thin film deposition simulation according to the thin film deposition model includes:

Setting the phenomenological parameters of the ballistic deposition phase field model and the Young's modulus and Poisson's ratio of the solid film according to the reaction conditions and the film material;

The phenomenological parameters of the ballistic deposition phase field model and the Young's modulus and Poisson's ratio of the solid thin film are input into the thin film deposition model, and the thin film deposition model is used to simulate thin film deposition to generate thin film image information.

The film deposition simulation method of this example uses the deposition model to generate film image information, which can visually display the film evolution process, which is convenient for users to understand the relationship between the material properties and the film formation process, so as to control and adjust the experiment or production.

The method for simulating thin film deposition, wherein the step of performing thin film deposition simulation according to the thin film deposition model further comprises:

Using the thin film deposition model to simulate thin film deposition to generate stress distribution image information.

The method for simulating thin film deposition, wherein the ballistic deposition phase field model includes a thin film phase governing equation for the first phase field parameter and a vapor governing equation for the second phase field parameter.

In a second aspect, the present application also provides a thin film deposition simulation device for establishing a digital thin film model to simulate a thin film deposition process, the device comprising:

a setting module for setting a first phase field parameter representing the solidification condition of the thin film and a second phase field parameter representing the local density of the input steam;

a modeling module, configured to establish a ballistic deposition phase field model for simulating physical vapor deposition according to the first phase field parameter and the second phase field parameter;

a coupling module, configured to couple the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model with the mechanical equilibrium equation to establish a thin film deposition model;

The simulation module is used for performing thin film deposition simulation according to the thin film deposition model.

The thin film deposition simulation device of the present application couples the ballistic deposition phase field model and the Young's modulus of the solid thin film, so that the finally obtained thin film deposition model can reflect the mechanical property change of the thin film, and can simulate the phase field change and thin film during the thin film deposition process. The mechanical properties are combined with the simulation to realize the prediction simulation of the thin film deposition process.

In a third aspect, the present application also provides an electronic device, including a processor and a memory, where the memory stores computer-readable instructions, when the computer-readable instructions are executed by the processor, the operation is as described above The steps in the method provided by the first aspect.

In a fourth aspect, the present application further provides a storage medium on which a computer program is stored, and when the computer program is executed by a processor, the steps in the method provided in the above-mentioned first aspect are executed.

As can be seen from the above, the present application provides a thin film deposition simulation method, device, electronic device and storage medium, wherein the method is based on the relationship between the first phase field parameter representing the solidification condition of the thin film and the Young's modulus of the solid thin film coupled with ballistic deposition The phase field model and the Young's modulus of the solid-state thin film enable the final film deposition model to reflect the mechanical properties of the thin film. Predictive simulation, and can reflect the film deposition morphology and stress distribution characteristics according to the simulation results.

Description of drawings

FIG. 1 is a flowchart of a thin film deposition simulation method provided by an embodiment of the present application.

FIG. 2( a ) is a schematic diagram of a thin film image at an initial stage of a thin film deposition process of a thin film deposition model obtained according to the thin film deposition simulation method provided in an embodiment of the present application.

FIG. 2( b ) is a schematic diagram of a thin film image in the first intermediate stage of the thin film deposition process of the thin film deposition model obtained according to the thin film deposition simulation method provided in the embodiment of the present application.

FIG. 2( c ) is a schematic diagram of a thin film image of the second intermediate stage of the thin film deposition process of the thin film deposition model obtained according to the thin film deposition simulation method provided in the embodiment of the present application.

FIG. 2(d) is a schematic diagram of a thin film image at the end stage of the thin film deposition process of the thin film deposition model obtained according to the thin film deposition simulation method provided in the embodiment of the present application.

Fig. 3 is a schematic diagram of the stress distribution corresponding to the thin film image of Fig. 2(d).

FIG. 4 is a schematic structural diagram of a thin film deposition simulation apparatus provided by an embodiment of the present application.

FIG. 5 is a schematic structural diagram of an electronic device provided by an embodiment of the present application.

Reference numerals: 201, setting module; 202, modeling module; 203, coupling module; 204, simulation module; 301, processor; 302, memory; 303, communication bus.

Detailed ways

The technical solutions in the embodiments of the present application will be clearly and completely described below with reference to the drawings in the embodiments of the present application. Obviously, the described embodiments are only a part of the embodiments of the present application, rather than all the embodiments. The components of the embodiments of the present application generally described and illustrated in the drawings herein may be arranged and designed in a variety of different configurations. Thus, the following detailed description of the embodiments of the application provided in the accompanying drawings is not intended to limit the scope of the application as claimed, but is merely representative of selected embodiments of the application. Based on the embodiments of the present application, all other embodiments obtained by those skilled in the art without creative work fall within the protection scope of the present application.

It should be noted that like numerals and letters refer to like items in the following figures, so once an item is defined in one figure, it does not require further definition and explanation in subsequent figures. Meanwhile, in the description of the present application, the terms "first", "second", etc. are only used to distinguish the description, and cannot be understood as indicating or implying relative importance.

In the first aspect, please refer to FIG. 1 to FIG. 3 . FIG. 1 is a thin film deposition simulation method in some embodiments of the present application, which is used to establish a digital thin film model to simulate a thin film deposition process. The method includes the following steps:

S1. Set the first phase field parameter representing the solidification of the film and the second phase field parameter representing the local density of the input steam;

Specifically, since the thin film deposition simulation method of the embodiment of the present application is mainly used to simulate the process of PVD (Physical Vapor Deposition) to form a thin film, it needs to simulate the process of depositing a target material in a gas phase to form a target material in a solid phase. Therefore, it is necessary to design The phase field parameters that characterize the solidification of the film with respect to different time states and spatial positions, that is, the phase field parameters designed to reflect whether a film has been formed at different positions at different times during the film deposition simulation process. The field parameter is defined as the first phase field parameter. At the same time, it is also necessary to design the phase field parameter that characterizes the gas density in different spatial positions and temporal states. The phase field parameter of the gas density can reflect the trend of film deposition. The phase field parameter of the density case is defined as the second phase field parameter.

More specifically, the input vapor local density is the target material density considering whether the corresponding region contains the gas phase of the solid phase thin film. Therefore, when the second phase field parameter is 0, it can indicate that the corresponding region has no gas phase.

More specifically, the first phase field parameter can reflect which state a certain spatial position belongs to in a solidified thin film region, a solid-gas interface, a vacuum region, and a non-solidified region at a certain time.

More specifically, the second phase field parameter reflects the density of the target material in the gas phase at a certain spatial location at a certain time.

S2, establishing a ballistic deposition phase field model for simulating physical vapor deposition according to the first phase field parameter and the second phase field parameter;

Specifically, the physical vapor deposition process is the process of depositing the target material in the gas phase to form the target material in the solid phase. Setting two phase field parameters to represent the solid phase and gas phase conditions can effectively simplify the establishment conditions of the entire model, that is, the binding energy characterization The first phase field parameter of the film solidification condition and the second phase field parameter representing the local density of the input steam can easily establish a ballistic deposition phase field model for the process of converting the deposition of a vapor-phase target material into a solid-phase target material. In the embodiments of this application , the ballistic sedimentary phase field model can be quickly established by establishing corresponding control equations according to the first phase field parameters and the second phase field parameters.

S3, coupling the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model and the mechanical equilibrium equation to establish a thin film deposition model;

Specifically, in the actual film deposition process, the deposited film itself has elasticity, and the film deposition process cannot be accurately and effectively simulated by simply considering the phase transformation process of the film. Therefore, in the film deposition simulation process, it is necessary to consider the deposition process of the film. Mechanical properties are taken into account to more accurately simulate the thin film deposition process.

More specifically, the mechanical properties of thin films are mainly reflected in the stress changes in the elastic deformation range. Therefore, the introduction of the Young's modulus of solid thin films during the thin film deposition process can clearly reflect the mechanical properties of thin films.

More specifically, in the thin film deposition process, the gas phase target material has stress when it is converted into a solid phase target material. The ballistic deposition phase field model is established according to the first phase field parameters of the film solidification situation, so it is implemented in this application. In an example, the Young's modulus of the solid film can be coupled with the ballistic deposition phase field model according to the first phase field parameter, so that the ballistic deposition phase field model is related to the mechanical properties of the film, so that the ballistic deposition phase field model and the mechanical balance are The equations are coupled to establish the thin film deposition model.

More specifically, the thin film formed during the thin film deposition process is in a stable state, that is, the target material in the solid phase is in a mechanical equilibrium state. Therefore, after the ballistic deposition phase field model is coupled with the Young's modulus of the solid thin film, the mechanical equilibrium equation is used for the ballistic deposition. Constrained coupling of the phase field model can obtain a thin film deposition model.

S4, performing thin film deposition simulation according to the thin film deposition model.

Specifically, the thin film deposition model is established based on the coupling of the ballistic deposition phase field model and the mechanical equilibrium equation, which can simulate the physical vapor deposition process under the condition of considering the stress balance of the deposited thin film, and can accurately realize the prediction and simulation of thin film deposition; Since the film deposition model is coupled with the Young's modulus of the solid film, the simulation results generated by the deposition simulation can also reflect the deposition morphology and stress distribution of the film.

More specifically, the target material is not limited to a specific existing material, and the thin film deposition simulation method of the embodiment of the present application aims to simulate the process of producing a thin film by physical vapor deposition through digital means, so as to reflect the formation of phases, grains and grain boundaries, Therefore, the thin film deposition simulation can be performed by adjusting the setting parameters of the thin film deposition model according to the properties of the existing target material or the assumed target material.

The thin film deposition simulation method of the embodiments of the present application couples the ballistic deposition phase field model and the Young's modulus of the solid thin film based on the relationship between the first phase field parameter representing the solidification of the thin film and the Young's modulus of the solid thin film, so that the final obtained thin film The deposition model can reflect the change of the mechanical properties of the thin film, and can combine the phase field change and the mechanical properties of the thin film during the simulated deposition process to realize the prediction and simulation of the thin film deposition process, and can reflect the deposition morphology and stress distribution characteristics of the thin film according to the simulation results.

In some preferred embodiments, the step of coupling the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model with the mechanical equilibrium equation, to establish the thin film deposition model includes:

S31, obtaining the local solid density parameter of the ballistic deposition phase field model according to the first phase field parameter, coupling the local solid density parameter and the Young's modulus of the solid thin film, and obtaining the Young's modulus about the local solid density parameter;

S32, obtaining the stress equation according to the Young's modulus of the local solid density parameter and the preset displacement field;

，其中u、v分别水平和竖直方向的位移分量。Specifically, obtaining the Young's modulus of the local solid density parameter can correlate the ballistic deposition phase field model with the film stress. In order to more accurately reflect the strain of the entire film deposition simulation process, a preset displacement field needs to be introduced to evaluate the level and displacement in the vertical direction, in this embodiment of the present application, the preset displacement field is

, where u and v are the displacement components in the horizontal and vertical directions, respectively.

，i和j为水平方向上两个相互垂直的方向坐标标记，u为水平位移分量，故u _i,j 和u _j,i 为两个相互垂直方向上的水平位移分量，结合该应变和局部固体密度参量的杨氏模量便能获取弹道沉积相场模型生成的薄膜的应力方程。More specifically, defining the strain of the film during the simulation as ε _ij , we have

, i and j are two mutually perpendicular direction coordinate marks in the horizontal direction, u is the horizontal displacement component, so u _i,j and u _j,i are the two horizontal displacement components in the two mutually perpendicular directions, combining the strain and local The Young's modulus of the solid density parameter can be used to obtain the stress equation of the film generated by the ballistic deposition phase field model.

S33, generating a thin film deposition model according to the stress equation and the mechanical equilibrium equation.

Specifically, in the film deposition process, the deposited film should be a stable solid phase, so the stress of the film should meet the requirements of mechanical balance. Therefore, it is necessary to combine the stress equation and the mechanical balance equation to generate a film deposition model to simulate the film deposition model. The deposited films satisfy the stress balance.

In some preferred embodiments, the step of obtaining the local solid density parameter of the ballistic deposition phase field model according to the first phase field parameter includes:

Define the local solid density parameter as f _d , and the local solid density parameter satisfies:

f _d = ( f + f _max )/2 (1)

f is the first phase field parameter, and f _max is the maximum value of the first phase field parameter.

In some preferred embodiments, in order to describe the solidification of the thin film more clearly, the method in the embodiments of the present application normalizes the first phase field parameter. In the actual simulation process, the phase field state has a certain deviation value, Therefore, f is approximated to characterize the solidification of the corresponding film, such that f ≈ 1 represents the solidified film, f ≈ 0 represents the solid-gas interface, and f ≈-1 represents the vacuum or non-solidified region, so there is f _max =1, f _d ∈ [0,1], so that f _d can characterize the proportion of solid thin films in the corresponding region, that is, f _d can act as the volume fraction of solid phase in the phase field.

In some preferred embodiments, the Young's modulus of the local solid density parameter has a residual modulus coefficient.

Specifically, if the Young's modulus of the local solid density parameter is obtained by directly correlating the local solid density parameter and the Young's modulus of the solid thin film, when the local solid density parameter is 0 (that is, f _d = 0), the local solid density parameter The Young's modulus of , is 0, which causes numerical singularity. Therefore, in the method of the embodiment of the present application, the residual modulus coefficient is set when correlating the local solid density parameter and the Young's modulus of the solid thin film, so that when f _d =0 , the Young's modulus of the local solid density parameter is not 0, and when the gas-phase modulus can be ignored, the thin film deposition model obtained by the method of the embodiment of the present application can avoid numerical singularity.

In some preferred embodiments, the Young's modulus of the local solid density parameter with the residual modulus coefficient, denoted E, satisfies:

（2）

(2)

为残余模量系数，

为一个不为零的小数，当f _d =0时，有E=E ₀

，能使得E不等于零，从而使得气相的弹性模量不为零，从而避免数值奇异性，确保本申请实施例方法获取的薄膜沉积模型能稳定运行模拟；同理，f _d =1时，有E=E ₀，即在固相中，局部固体密度参量的杨氏模量与固态薄膜的杨氏模量相等。where h ( f _d ) is the phase field transfer function, satisfying h (0)=0 and h (1)=1, E ₀ is the Young’s modulus of the solid thin film,

is the residual modulus coefficient,

is a non-zero decimal, when f _d =0, there is E=E ₀

, can make E not equal to zero, so that the elastic modulus of the gas phase is not zero, thereby avoiding numerical singularity, and ensuring that the thin film deposition model obtained by the method of the embodiment of the present application can run stably for simulation; Similarly, when f _d =1, there are E = E ₀ , that is, in the solid phase, the Young's modulus of the local solid density parameter is equal to that of the solid thin film.

More preferably, in this embodiment of the present application, h ( f _d ) satisfies:

（3）

(3)

Specifically, Equation (3) satisfies h (0)=0 and h (1)=1, which can convert the local solid density parameter into a constraint variable associated with the Young's modulus of the solid thin film.

Based on the above treatment of Young's modulus, the Young's modulus in the gas phase can be ignored, while the Young's modulus in the solid film is E ₀ , and the Young's modulus at the solid-gas interface is between the two. . It is worth mentioning that although the Young's modulus in the gas phase is not zero, it has no practical physical meaning and has a negligible effect on the stress distribution in the solid phase. The purpose of increasing the residual modulus coefficient is only to avoid numerical singularities.

More specifically, the above formula also ignores the difference of Poisson's ratio in the transition from solid phase to gas phase, which effectively simplifies the model simulation logic.

In some preferred embodiments, the stress equation obtained in step S32 is:

（4）

(4)

，

为薄膜整体应力，即σ _ij 属于薄膜整体中[i，j]处的应力，利用该力学平衡方程约束应力方程应力分布能使弹道沉积相场模型转变为薄膜沉积模型。Among them, σ _ij is the stress on the coordinates [ i, j ], υ is the Poisson's ratio, δ _ij is the Kronecker symbol, ε _kk is the symmetric strain associated with δ _ij , therefore, in step S33 The mechanical equilibrium equation of is

,

is the overall stress of the film, that is, σ _ij belongs to the stress at [ i, j ] in the whole film. Using the mechanical equilibrium equation to constrain the stress distribution of the stress equation can transform the ballistic deposition phase field model into a film deposition model.

In some preferred embodiments, the step of simulating thin film deposition according to the thin film deposition model includes:

S41. Set the phenomenological parameters of the ballistic deposition phase field model and the Young's modulus and Poisson's ratio of the solid film according to the reaction conditions and the film material;

Specifically, by adjusting the phenomenological parameters, the ballistic deposition conditions and efficiency of the thin film deposition model can be changed, and by changing the Young's modulus and Poisson's ratio of the solid thin film, the mechanical properties of the thin film deposited by the thin film deposition model can be changed. The thin film deposition model can simulate the deposition process of different materials in different state environments, so that the method of the embodiments of the present application can construct thin film deposition models with different material properties according to simulation requirements.

S42 , input the phenomenological parameters of the ballistic deposition phase field model and the Young's modulus and Poisson's ratio of the solid thin film into the thin film deposition model, and use the thin film deposition model to simulate thin film deposition to generate thin film image information.

Specifically, using the deposition model to generate film image information can intuitively display the film evolution process, which is convenient for users to understand the relationship between the material properties and the film formation process, so as to control and adjust the experiment or production.

In some preferred embodiments, the step of performing the thin film deposition simulation according to the thin film deposition model further comprises:

The stress distribution image information is generated by simulating thin film deposition using the thin film deposition model.

Specifically, since the ballistic deposition phase field model in the method of the embodiment of the present application is coupled with the Young's modulus of the solid thin film, the thin film generated by the simulated deposition of the thin film deposition model contains internal stress data, so the stress distribution image information can be generated, For users to understand the characteristics of stress distribution in the process of film formation, in order to carry out experiments or production control adjustment.

In some preferred embodiments, the ballistic deposition phase field model includes a thin film phase governing equation for a first phase field parameter and a vapor governing equation for a second phase field parameter.

Specifically, when designing the film phase control equation and the steam control equation, the dimensionless control equation corresponding to the phase field should be designed with reference to the ballistic deposition form. In the embodiment of the present application, the film phase control equation is:

（5）

(5)

The steam governing equation is:

（6）

(6)

为梯度算符，

为二阶偏导算符，g为第二相场参量，满足g≥0，g=0表示该区域无气相，

为空间位置，t为时间，a、B、D和

为现象学参数，a代表生成薄膜的表面张力，B代表输入的粒子粘在薄膜表面的可能性，D为输入粒子在气相中的扩散常数，

为输入粒子的垂直偏置通量强度，垂直弹道沉积时有

，A为标量，代表通量强度的值，

为坐标轴单位微量。in,

is the gradient operator,

is the second-order partial derivative operator, g is the second phase field parameter, satisfying g ≥ 0, g = 0 means that there is no gas phase in the region,

is the spatial position, t is the time, a, B, D and

is the phenomenological parameter, a represents the surface tension of the generated film, B represents the possibility of the input particles sticking to the surface of the film, D is the diffusion constant of the input particles in the gas phase,

is the vertical bias flux intensity of the input particles, which has

, A is a scalar, representing the value of flux intensity,

It is a micro amount for the coordinate axis unit.

Specifically, in the embodiments of the present application, the equations (5) and (6) constrained by the equations (2), (4) and the mechanical equilibrium equation constitute the thin film deposition model, that is, the method in the embodiments of the present application is a mechanical equilibrium Under the constraints of equations, equations (5) and (6) are used to simulate the deposition of thin films, and the displacement and stress distribution of the thin films can be obtained by solving the mechanical equilibrium equation.

More specifically, according to step S41, before using the film deposition model for deposition simulation, it is necessary to set phenomenological parameters, Young's modulus and Poisson's ratio of the solid film according to the material properties, so as to realize the film deposition simulation corresponding to the target material. , as shown in Figure 2(a)-Figure 2(d), the film image information generated by the film deposition simulation process of a target material, where the abscissa in the figure is the horizontal distance of the film deposition, and the ordinate is the vertical film deposition. Straight distance, the color bar on the right is the relationship between the local solid density parameter f _d and the color, a= 0.3 , B= 10 , D= 0.01 and A= 0.6, E =100GPa, υ= 0.3, and the vertical ballistic trajectory is used for deposition, The initial value of f at the substrate position is 1, and the initial value of f in the gas phase is -1. Periodic boundary conditions are imposed on the left and right boundaries, and anti-periodic boundary conditions are imposed on the upper and lower boundaries. Therefore, using formulas (5) and (6) ) to perform finite element calculation and simulation to obtain the film image information shown in Figure 2(a)-Figure 2(d), which can clearly reflect the gradual growth process of the deposited film from the substrate, and has columnar crystal characteristics; as shown in Figure 3 is the stress distribution image information corresponding to the thin film state in Fig. 2(d), in which the abscissa in the figure is the horizontal distance of film deposition, the ordinate is the vertical distance of thin film deposition, and the color bar on the right is the relationship between stress and color, It can be seen that the unevenness of the film surface in Fig. 2(d) leads to the uneven distribution of the horizontal normal stress in Fig. 3, and it can be seen that the method of the embodiment of the present application realizes an intuitive demonstration of the film morphology and stress distribution.

In the second aspect, please refer to FIG. 4. FIG. 4 is a thin film deposition simulation device provided in some embodiments of the present application for establishing a digital thin film model to simulate a thin film deposition process. The device includes:

The setting module 201 is used for setting a first phase field parameter representing the solidification condition of the thin film and a second phase field parameter representing the local density of the input steam;

a modeling module 202, configured to establish a ballistic deposition phase field model for simulating physical vapor deposition according to the first phase field parameter and the second phase field parameter;

The coupling module 203 is configured to couple the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model and the mechanical equilibrium equation to establish a film deposition model;

The simulation module 204 is used for performing thin film deposition simulation according to the thin film deposition model.

The thin film deposition simulation device of the embodiment of the present application couples the ballistic deposition phase field model and the Young's modulus of the solid thin film based on the relationship between the first phase field parameter representing the solidification of the thin film and the Young's modulus of the solid thin film, so that the final obtained thin film The deposition model can reflect the change of the mechanical properties of the thin film, and can combine the phase field change and the mechanical properties of the thin film during the simulated deposition process to realize the prediction and simulation of the thin film deposition process, and can reflect the deposition morphology and stress distribution characteristics of the thin film according to the simulation results.

In some preferred embodiments, the thin film deposition simulation apparatus of the embodiments of the present application is used to execute the thin film deposition simulation method provided in the first aspect above.

In the third aspect, please refer to FIG. 5 , which is a schematic structural diagram of an electronic device provided by an embodiment of the present application. The present application provides an electronic device including: a processor 301 and a memory 302 , and the processor 301 and the memory 302 pass through The communication bus 303 and/or other forms of connection mechanisms (not shown) are interconnected and communicate with each other, and the memory 302 stores a computer program executable by the processor 301. When the computing device is running, the processor 301 executes the computer program to During execution, the method in any optional implementation manner of the foregoing embodiment is executed.

In a fourth aspect, an embodiment of the present application provides a storage medium on which a computer program is stored, and when the computer program is executed by a processor, executes the method in any optional implementation manner of the foregoing embodiment. Among them, the storage medium can be realized by any type of volatile or non-volatile storage device or their combination, such as Static Random Access Memory (SRAM for short), Electrically Erasable Programmable Read-Only Memory (Electrically Erasable Programmable Read-Only Memory, EEPROM for short), Erasable Programmable Read Only Memory (EPROM), Programmable Red-Only Memory (PROM), Read Only Memory (Read-Only Memory, referred to as ROM), magnetic memory, flash memory, magnetic disk or optical disk.

To sum up, the embodiments of the present application provide a thin film deposition simulation method, device, electronic device, and storage medium, wherein the method is based on the relationship between the first phase field parameter representing the solidification of the thin film and the Young's modulus of the solid thin film coupled with ballistic trajectory The deposition phase field model and the Young's modulus of the solid-state film enable the final film deposition model to reflect the mechanical properties of the film. It can combine the phase field changes during the film deposition process with the mechanical properties of the film to simulate the film deposition process. The prediction and simulation of the film can reflect the deposition morphology and stress distribution characteristics of the film according to the simulation results.

In the embodiments provided in this application, it should be understood that the disclosed apparatus and method may be implemented in other manners. The apparatus embodiments described above are only illustrative. For example, the division of the units is only a logical function division. In actual implementation, there may be other division methods. For example, multiple units or components may be combined or Can be integrated into another system, or some features can be ignored, or not implemented. On the other hand, the shown or discussed mutual coupling or direct coupling or communication connection may be through some communication interfaces, indirect coupling or communication connection of devices or units, which may be in electrical, mechanical or other forms.

In addition, units described as separate components may or may not be physically separated, and components shown as units may or may not be physical units, that is, may be located in one place, or may be distributed to multiple network units. Some or all of the units may be selected according to actual needs to achieve the purpose of the solution in this embodiment.

Furthermore, each functional module in each embodiment of the present application may be integrated together to form an independent part, or each module may exist alone, or two or more modules may be integrated to form an independent part.

In this document, relational terms such as first and second, etc. are used only to distinguish one entity or operation from another entity or operation, and do not necessarily require or imply any such existence between these entities or operations. The actual relationship or sequence.

The above descriptions are merely examples of the present application, and are not intended to limit the protection scope of the present application. For those skilled in the art, various modifications and changes may be made to the present application. Any modification, equivalent replacement, improvement, etc. made within the spirit and principle of this application shall be included within the protection scope of this application.

Claims (10)

1. A thin film deposition simulation method for establishing a digital thin film model to simulate a thin film deposition process, wherein the method comprises the following steps: Set the first phase field parameter representing the solidification of the film and the second phase field parameter representing the local density of the input steam; establishing a ballistic deposition phase field model for simulating physical vapor deposition according to the first phase field parameter and the second phase field parameter; Coupling the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model with the mechanical equilibrium equation to establish a thin film deposition model; Thin film deposition simulations are performed according to the thin film deposition model. 2 . The thin film deposition simulation method according to claim 1 , wherein the ballistic deposition phase field model and the Young’s modulus of the solid thin film are coupled according to the first phase field parameters, so that the ballistic deposition The steps of establishing a thin film deposition model by coupling the deposition phase field model with the mechanical equilibrium equation include: Obtain the local solid density parameter of the ballistic deposition phase field model according to the first phase field parameter, couple the local solid density parameter and the Young's modulus of the solid thin film, and obtain the Young's modulus of the local solid density parameter modulus; obtaining a stress equation according to the Young's modulus with respect to the local solid density parameter and a preset displacement field; The thin film deposition model is generated from the stress equation and the mechanical equilibrium equation. 3. The thin film deposition simulation method according to claim 2, wherein the step of obtaining the local solid density parameter of the ballistic deposition phase field model according to the first phase field parameter comprises: The local solid density parameter is defined as f _d , and the local solid density parameter satisfies: f _d = ( f + f _max )/2; f is the first phase field parameter, and f _max is the maximum value of the first phase field parameter. 4 . The thin film deposition simulation method according to claim 2 , wherein the Young's modulus of the local solid density parameter has a residual modulus coefficient. 5 . 5. The method for simulating thin film deposition according to claim 1, wherein the step of performing thin film deposition simulation according to the thin film deposition model comprises: Setting the phenomenological parameters of the ballistic deposition phase field model and the Young's modulus and Poisson's ratio of the solid film according to the reaction conditions and the film material; The phenomenological parameters of the ballistic deposition phase field model and the Young's modulus and Poisson's ratio of the solid thin film are input into the thin film deposition model, and the thin film deposition model is used to simulate thin film deposition to generate thin film image information. 6. The method for simulating thin film deposition according to claim 5, wherein the step of performing thin film deposition simulation according to the thin film deposition model further comprises: Using the thin film deposition model to simulate thin film deposition to generate stress distribution image information. 7 . The method for simulating thin film deposition according to claim 1 , wherein the ballistic deposition phase field model comprises a thin film phase governing equation for the first phase field parameter and a vapor for the second phase field parameter. 8 . control equation. 8. A thin-film deposition simulation device for establishing a digital thin-film model to simulate a thin-film deposition process, wherein the device comprises: a setting module for setting a first phase field parameter representing the solidification condition of the thin film and a second phase field parameter representing the local density of the input steam; a modeling module, configured to establish a ballistic deposition phase field model for simulating physical vapor deposition according to the first phase field parameter and the second phase field parameter; a coupling module, configured to couple the ballistic deposition phase field model and the Young's modulus of the solid thin film according to the first phase field parameter, so as to couple the ballistic deposition phase field model with the mechanical equilibrium equation to establish a thin film deposition model; The simulation module is used for performing thin film deposition simulation according to the thin film deposition model. 9. An electronic device, characterized by comprising a processor and a memory, wherein the memory stores computer-readable instructions, when the computer-readable instructions are executed by the processor, the operation is as claimed in claim 1- 7 any one of the steps in the method. 10. A storage medium on which a computer program is stored, characterized in that, when the computer program is executed by a processor, the steps in the method according to any one of claims 1-7 are executed.

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