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Shear coupling grain boundary migration and crack interaction simulation method in binary alloy

A binary alloy, grain boundary migration technology, applied in special data processing applications, instruments, calculations, etc., can solve the problem of inability to accurately predict the healing or expansion of alloy micro-cracks, and achieve the effect of improving service life

Inactive Publication Date: 2019-05-24
NANJING UNIV OF SCI & TECH
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Problems solved by technology

The existing simulation methods for the interaction between grain boundaries and cracks in pure metals are not suitable for alloy systems, and cannot accurately predict the healing or propagation of microcracks in alloys under the action of shear-coupled grain boundary migration

Method used

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  • Shear coupling grain boundary migration and crack interaction simulation method in binary alloy
  • Shear coupling grain boundary migration and crack interaction simulation method in binary alloy
  • Shear coupling grain boundary migration and crack interaction simulation method in binary alloy

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Embodiment Construction

[0044] In order to fully understand the purpose, features and effects of the present invention, the present invention will be further described in detail below in conjunction with the accompanying drawings and specific embodiments.

[0045] Such as figure 1 As shown, the present invention discloses a method for simulating the interaction between shear-coupled grain boundary migration and cracks in binary alloys. The method is based on the principle of molecular dynamics to establish an accurate interaction between shear-coupled grain boundary migration and cracks in binary alloys. The model can accurately predict the situation of crack healing or expansion during the interaction between the two, as well as the change of the grain boundary structure of the alloy.

[0046] In the specific embodiment, the Σ9(221) grain boundary and crack interaction model in the iron-chromium alloy with a chromium content of 1% is taken as an example, specifically comprising the following steps: ...

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Abstract

The invention belongs to the field of material simulation, and particularly relates to a shear coupling grain boundary migration and crack interaction simulation method in binary alloy. The method comprises the following steps: S1, constructing a pure metal bicrystal model based on a heavy dot matrix model; S2, adding a certain proportion of alloy atoms into the pure metal bicrystal model throughan atom replacement method to construct a binary alloy bicrystal model; S3, presetting cracks in the binary alloy bicrystal model by deleting atoms, and constructing a binary alloy bicrystal model containing the cracks; S4, conducting relaxation on the binary alloy bicrystal model containing the cracks based on a molecular dynamics method; And S5, based on a molecular dynamics method, carrying outshear simulation on the binary alloy bicrystal model containing the cracks in a balanced state to obtain a result of shear coupling grain boundary migration and crack interaction in the binary alloy.According to the invention, a binary alloy system is constructed by randomly replacing atoms, and a binary alloy model with any components and any concentration can be established.

Description

technical field [0001] The invention belongs to the field of metal material simulation, in particular to a method for simulating the interaction of shear coupling grain boundary migration and cracks in binary alloys. Background technique [0002] During the preparation, processing and use of metal materials, tiny internal or surface defects will inevitably occur. The existence and expansion of micro-defects are the main reasons for the decrease of component toughness, stiffness and strength. If some processes can heal the microcracks generated during the preparation or service, the service life of the components can be greatly improved. At present, research on the external factors of crack healing in metal materials often focuses on high-temperature healing methods. Carrying out research on crack healing at medium-low temperature and normal temperature has important theoretical significance and practical value for greatly reducing energy consumption. [0003] Some recent r...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50
Inventor 闫笑寒尹建侯怀宇
Owner NANJING UNIV OF SCI & TECH
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