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Method for simulating influence of heating technology on premelting and melting of crystal boundaries by aid of crystal phase-field process

A technology of crystal phase field and simulated heating, which is applied in special data processing applications, instruments, electrical digital data processing, etc., and can solve problems such as unquantifiable research on pre-melted layers

Inactive Publication Date: 2014-03-26
NORTHWESTERN POLYTECHNICAL UNIV
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Problems solved by technology

[0004] Although the above methods can confirm and simulate the liquid layer film at the grain boundary, due to the limitations of these models, it is impossible to quantitatively study the relationship between the width of the pre-melted layer and its influencing factors

Method used

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  • Method for simulating influence of heating technology on premelting and melting of crystal boundaries by aid of crystal phase-field process
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  • Method for simulating influence of heating technology on premelting and melting of crystal boundaries by aid of crystal phase-field process

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Embodiment

[0042] A method for simulating the influence of a heating process on grain boundary premelting and melting by using a crystal phase field method, specifically comprising the following steps:

[0043] (1) Establish the crystal phase field model:

[0044] The crystal phase field model is constructed based on the idea of ​​the traditional phase field method, and the periodic function form is introduced into the model. The order parameter adopts the periodic local time-averaged atomic density. Here, the density is written in a dimensionless form, the simplest dimensionless free The energy functional equation can be written as

[0045] F = ∫ d r → { ρ 2 [ - ϵ + ( ▿ 2 + 1 ) 2 ...

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Abstract

The invention relates to a method for simulating the influence of a heating technology on premelting and melting of crystal boundaries by the aid of a crystal phase-field process, and belongs to the field of technologies for simulating crystals. The method includes steps of (1), building a crystal phase-field model, in other words, building the crystal phase-field model on the basis of an idea of the traditional phase-field process, introducing a periodic function form into the model, and setting periodic partial-time average atomic densities as order parameters to obtain a free energy function expression of crystals; (2), determining a numerical process and calculation parameters. The method has the advantages that premelting and melting microstructure morphology at different heating rates is researched by the aid of a simulated calculation process and the crystal phase-field process, the widths of liquid-phase films at the crystal boundaries are quantitatively calculated by an excess mass process when the crystal boundaries are premelted and melted at the different heating rates, accordingly, the widths of the liquid-phase films at the crystal boundaries are quantified when the crystal boundaries are premelted and melted, structural relations among numerical values of the widths of the liquid-phase films and the atomic crystal boundary structures are illustrated, and an effect is perfect.

Description

technical field [0001] The invention relates to a method for simulating the effect of a heating process on grain boundary pre-melting and melting by using a crystal phase field method, and belongs to the technical field of crystal simulation. Background technique [0002] When the temperature is close to the melting point, a liquid film is pre-formed at the grain boundary. This phenomenon is called grain boundary premelting (Grain Boundary Premelting). The appearance of premelting has an important impact on the mechanical behavior of polycrystalline materials such as strength and fracture. For example, It can change the macroscopic properties of polycrystalline materials and significantly reduce the resistance of shear strain. Especially the latter's thermal cracks during high-temperature processing of alloy materials will produce catastrophic material failure behavior. Therefore, grain boundary pre-melting and melting It has always been a hot spot in material research, and ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00
Inventor 卢艳丽陈铮王永欣牧虹张静范晓丽张刘超胡婷婷贾德伟
Owner NORTHWESTERN POLYTECHNICAL UNIV
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