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Chemical vapor deposition product component prediction method

A technology of deposition products and chemical vapor phase, applied in chemical property prediction, neural learning methods, chemical statistics, etc., can solve difficult problems such as single-objective or multi-objective optimization problems

Active Publication Date: 2020-12-18
SOUTH CHINA UNIV OF TECH
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Problems solved by technology

[0014] When the range of process conditions is determined, the problem of deposition product composition can be well determined, but it is difficult to solve single-objective or multi-objective optimization problems, such as finding the process scheme that can obtain the highest deposition component or two

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  • Chemical vapor deposition product component prediction method
  • Chemical vapor deposition product component prediction method
  • Chemical vapor deposition product component prediction method

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Embodiment Construction

[0089] In order to make the object, technical solution and advantages of the present invention clearer, the present invention will be further described in detail below with reference to the accompanying drawings and examples.

[0090] Such as figure 1 Shown, a kind of chemical vapor phase multi-component deposition product component prediction method, comprises the following steps:

[0091] Step S1, according to the process conditions, calculate the partition function:

[0092] Translational partition function: when the molecular translational kinetic energy difference is small, the translational partition function q t The expression is

[0093]

[0094] In the formula, m is the mass of the molecule, V is the volume of the molecule, T is the temperature, k is Boltzmann's constant, and h is Planck's constant.

[0095] According to Avogadro's formula pV=nRT=N A kT (where p is the gas pressure, R is the gas constant, N A is Avogadro's constant), we know that V=N A kT / p, ...

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Abstract

The invention discloses a chemical vapor deposition product component prediction method which comprises the following steps: S1, calculating a partition function according to process conditions; S2, calculating hot melting and entropy; s3, calculating standard generation enthalpy and standard generation Gibbs free energy according to translation, rotation, vibration and electronic partition functions; s4, obtaining balanced yield distribution of all products according to a chemical equilibrium principle, namely a mathematical condition that the total Gibbs free energy of the system is minimum;and S5, adopting process conditions, sedimentary solid phase and yield as input data, and adopting a BP algorithm to establish a training model. S6, after a BP training model is established, analyzing the calculated result in combination with a genetic algorithm, and the highest solid-phase yield under different weight conditions is continuously searched out. The method has the advantages that the model capable of accurately predicting the deposition theoretical product components is established, the optimization target of the maximum multi-component yield is achieved, the CVD industrial production research and development efficiency is improved, and the production cost is reduced.

Description

technical field [0001] The invention relates to the technical field of predicting theoretical products of deposition, in particular to a chemical vapor phase multi-component deposition product component prediction method combining machine learning and multi-field coupling modeling. Background technique [0002] Ceramic matrix composites are a type of composite material that is based on ceramics and combined with other fibers. It has good properties such as high strength, high modulus, low density, high temperature resistance, wear resistance and corrosion resistance. In particular, the high temperature resistance of ceramic matrix composites has drawn attention to its application research in high temperature environments. However, the biggest disadvantage of ceramic materials is that they are brittle and easily oxidized and corroded in high-temperature water and oxygen environments. Therefore, introducing a coating on the surface of ceramic matrix composites or designing a...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C20/30G16C20/70G16C10/00G06N3/08
CPCG16C20/30G16C20/70G16C10/00G06N3/084G06N3/08G06N3/086
Inventor 关康任海涛曾庆丰卢振亚吴建青
Owner SOUTH CHINA UNIV OF TECH
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