Multi-scale modeling method of gradient nano twin crystal

A nano-twin and gradient technology, applied in instruments, chemical information database systems, design optimization/simulation, etc.

Pending Publication Date: 2022-07-05
XI AN JIAOTONG UNIV
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  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

At present, the modeling method for the atomic structure of twinned materials can only establish a nano-twinned polycrystalline structure model, and a multi-scale modeling method that combines the gradient nano-twinned crystal plasticity model and the atomic structure model has not been reported so far.

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  • Multi-scale modeling method of gradient nano twin crystal
  • Multi-scale modeling method of gradient nano twin crystal
  • Multi-scale modeling method of gradient nano twin crystal

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Embodiment Construction

[0049] The following will refer to the appendix Figure 1 to Figure 10Specific embodiments of the present disclosure are described in detail. While specific embodiments of the present disclosure are shown in the drawings, it should be understood that the present disclosure may be embodied in various forms and should not be limited by the embodiments set forth herein. Rather, these embodiments are provided so that the present disclosure will be more thoroughly understood, and will fully convey the scope of the present disclosure to those skilled in the art.

[0050] It should be noted that certain terms are used in the description and claims to refer to specific components. It should be understood by those skilled in the art that the same component may be referred to by different nouns. The present specification and claims do not take the difference in terms as a way to distinguish components, but take the difference in function of the components as a criterion for distinguis...

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Abstract

The invention discloses a multi-scale modeling method for gradient nano twin crystals. The multi-scale modeling method comprises the following steps: constructing a cellular cube model of a crystal; constructing a mirror symmetry model of the cellular cube model, and combining atomic coordinate files of the two to construct a twin crystal model; taking the Y-axis coordinate value of the center atom of the twin boundary of the twin crystal model as a fixed intermediate value, performing interval division on the Y-axis coordinate values of all atoms in the atom coordinate file of the twin crystal model, and deleting all atoms outside the interval to obtain three twin crystal models with different lengths along the Y axis; taking the three twin crystal models with different lengths and the central point coordinate file of each orientation grain structure as seed points to generate three nano twin crystal models with different twin crystal densities; and obtaining a gradient nano-twin crystal atomic structure model for the three nano-twin crystal models with different twin crystal densities by adopting crystal grain selective deletion and model splicing modes.

Description

technical field [0001] The present disclosure belongs to the technical field of material structure modeling, and particularly relates to a method for establishing a gradient nanotwin multi-scale model. Background technique [0002] In the field of materials science, metal materials with gradient nanocrystalline structure are known and applied by more and more researchers because of their high strength and high plasticity. Plasticity, work hardening, fracture properties and fatigue properties show more excellent properties. However, the preparation of gradient nanotwins on high-level fault energy metal materials is currently a major research problem. For example, the preparation of gradient nanotwins in titanium alloys is very rare. With the development of computer technology, computer simulation has become an effective means to study the properties of materials. Among them, model establishment is the premise and foundation of various researches. At present, the modeling me...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C10/00G16C20/90G06F30/23G06F119/14
CPCG16C10/00G16C20/90G06F30/23G06F2119/14
Inventor 孙瑜唐鑫王昊何卫锋陈雪峰
Owner XI AN JIAOTONG UNIV
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