Simulation method for three-dimensional network silicon carbide based ceramic

A technology based on networked silicon carbide and analog methods, applied in special data processing applications, instruments, electrical digital data processing, etc., to achieve effective analysis and design, and accurate feature information

Inactive Publication Date: 2013-08-07
WENZHOU UNIVERSITY
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Problems solved by technology

Based on the structural information provided by the experiment, Professor Tomar of Purdue University in the United States established a model of SiCO / SiCN with the method of molecular dynamics and conducted a study on the mechanical properties. The disadvantage of this method is that the model needs the structural information provided by the experiment and cannot predict the structure.

Method used

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  • Simulation method for three-dimensional network silicon carbide based ceramic
  • Simulation method for three-dimensional network silicon carbide based ceramic
  • Simulation method for three-dimensional network silicon carbide based ceramic

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Embodiment 1

[0043]1. Selection of potential energy function and dynamic calculation method

[0044] In molecular dynamics simulations, the position of each atom is determined by the Atoms vibrate at their minimum energy positions, determined by solving Newton's equations on the order of 1 femtosecond or 1 femtosecond (less than the vibrational period of atoms). The molecular dynamics system can be regarded as a system composed of many nonlinear springs and atoms that defines the external load, velocity and displacement conditions, and the output of the dynamics simulation is the trajectory and velocity of the atoms. The force on the i-th atom is the negative gradient of the potential energy function with the generalized coordinates of atom i as a variable,

[0045]

[0046] Among them, V is the potential function, is the total number of atoms in the model, is the position vector of the i-th atom. The key to computer simulation of molecular dynamics is to establish a potential ...

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Abstract

The invention discloses a simulation method for a three-dimensional network silicon carbide based ceramic, which comprises the following steps: step 1, establishing an initial model of the three-dimensional network silicon carbide based ceramic; step 2, determining a potential energy function and parameters; step 3, using a melt-quench method to generate a structure model of the three-dimensional network silicon carbide based ceramic; and step 4, adopting a quasi-static stretching method to determine mechanical characteristics of the three-dimensional network silicon carbide based ceramic. According to the method, a three-dimensional model meeting an experiment result can be generated by a completely random initial structure, and accurate material mechanical characteristics can be obtained through analysis, so that various characteristics of the material can be demonstrated truly. The method can be used for effectively analyzing and designing materials, improve the material design efficiency and reduce the design cost greatly.

Description

technical field [0001] The invention relates to a simulation method for materials, in particular to a simulation method for three-dimensional mesh silicon carbide-based ceramics. Background technique [0002] With the development of cutting-edge new technologies such as modern supersonic aircraft, rockets, artificial satellites, and atomic energy, the corresponding working conditions are becoming increasingly strict. The materials are resistant to high temperature and ultra-high temperature, corrosion resistance, vibration resistance, fatigue resistance, temperature sudden change resistance and flame resistance. Performance requirements such as scouring are getting higher and higher. Silicon carbide (SiC) has high hardness, superior corrosion resistance and good thermal conductivity, and has much superior thermal stability and high temperature resistance than silicon. It is an important high temperature structural material. As a protective layer, SiC thin films are mostly u...

Claims

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Application Information

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IPC IPC(8): G06F17/50
Inventor 廖宁波薛伟周宏明张淼
Owner WENZHOU UNIVERSITY
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