Computational Modelling of Chemical Vapour Deposition

The method which uses vacuum to deposit materials that produce high-performance, high-quality solid materials is known as chemical vapor deposition. CVD is mostly applied in semiconductors manufacturing to coat/ produce thin films. CVD has become the most versatile and important method to synthesize any product.

In CVD, mostly water is used as a substrate and is exposed to one or more volatile presses which then reacts and deposits on the surface of the desired product. CVD widely produces microfabrication to deposit various materials like Si, C, W, etc. which are good conductors. 

The main step in CVD is to study the properties of the material which has to be deposited and the properties of the substrate on which it has to be deposited.

To know about the vapor deposition on a substrate, Ansys has a separate software called Computational Fluid Dynamics software ANSYS/FLUENT is used.

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Main steps involved in Ansys FLUENT are :

1. Pre-analysis
2. Geometry
3. Mesh
4. Physical setup
5. Numerical solution
6. Verification and validation

Pre-Analysis : 

• In this step, there is a need to analyze the parameters, conditions, etc. which will be encountered in the application of the CVD. 
• By this step, we can know what problems can arise and what’s the best condition for its working. 

Geometry :

• In this, there’s a need to draw the geometry or the diagram of the substrate and the layer. By checking the size and the curves in the geometry. 
• This geometry can be drawn in Ansys itself or using CAD etc which allows drawing the geometry which we want. 

Meshing : 

• In meshing, the main domain will be divided into many subdomains by which we can read the results very easily and if any problem arises it will be easy to detect and solve the problem. 
• Based on the mesh quality, the result of the simulation is decided i.e. if the mesh quality is poor will result in poor simulation result.

Physical setup :

• This step is carried out in Ansys solver. 
• In this step, the input values like boundary conditions, materials involved, materials properties, physics, and chemistry involved will be inputted. 
• All the numerals are provided in the simulator.

Numerical solution :

• After the boundary conditions and other parameters are set, it is important to check these parameters based on the varying parameters in the experiment. 
• In CVD, the most varying parameter is the temperature and the travel speed of the deposition material on the substrate. 
• By adjusting these two parameters the best results can be achieved.
• If desired results are not achieved we can change the conditions which have been set.

Verification and validation :

• After getting the results by the simulator, reading and understanding of these results are important. 
• Ansys gives the best display for the results which are attractive and are differently colored. 
• The results obtained can be validated for many cases by changing any one of the parameters and seeing the results obtained by that parameter. 
• The parameter can be varied at any point in time and the main parameter in CVD would be the substrate material and the deposited material.

By this simulation the results which are generated are :

• The phase changes in the substrate
• Temperature profile
• The thickness profile of the deposition
• Defect generation
• The factor of safety
• The durability of the deposition
• The performance of the product under the application.

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Computational Modelling of Chemical Vapour Deposition