Characterization method of interaction of interstitial atoms and substitutional atoms in Snoek-type high-damping alloy

Abstract

The invention discloses a characterization method of the interaction of interstitial atoms and substitutional atoms in Snoek-type high-damping alloy. The method comprises steps that: a three-dimensional supercell atom model is constructed, wherein the atom structural model refers to three-dimensional atom supercells containing different atom numbers; steady state positions and saddle positions of interstitial atoms in the model are found; a system total energy of the steady state positions and a system total energy of the saddle positions are calculated; a binding energy Ebind of the interaction of the interstitial atoms and the substitutional atoms in the three-dimensional supercell atom model, a formation energy Efor, and a diffusion activation energy in the steady state are calculated, and are used for characterizing the interaction of the interstitial atoms and the substitutional atoms. The method provide by the invention assists in more visually describing the interaction of the interstitial atoms and the substitutional atoms in Snoek-type high-damping alloy, such that a difficulty in atom interaction characterization is effectively solved.

Description

technical field [0001] The invention relates to the technical field of analysis and characterization of the behavior of interstitial atoms in Snoek type high damping alloys, in particular to a characterization method for the interaction between interstitial atoms and replacement atoms in Snoek type high damping alloys. Background technique [0002] Snoek-type high-damping alloy is a new type of material developed based on Snoek's relaxation theory. It has high damping performance and is an important structural and functional material with a large development space and broad application prospects. According to the Snoek relaxation theory, the interstitial atoms in the alloy will be redistributed under the induction of external stress. Since the above-mentioned migration process consumes energy, the effect of external stress is weakened, resulting in a damping effect. Traditional experimental methods are difficult to explore the interaction between interstitial atoms and repla...

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Problems solved by technology

Traditional experimental methods are difficult to explore the interaction between interstitial atoms and replacement atoms in the above process, which hinders further research on the relaxation mechanism of this type of high damping alloy

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