论文标题

由氩注射合成的多孔无定形奈蒂诺:一项分子动力学研究

Porous amorphous nitinol synthesized by argon injection: a molecular dynamics study

论文作者

Tsygankov, A. A., Galimzyanov, B. N., Mokshin, A. V.

论文摘要

由于物理和机械性能以及生物相容性的独特组合,多孔的晶尼醇被广泛应用于科学和技术的各个领域。多孔的无定形奈蒂醇的特征是与晶体类似物相比,机械性能的改善。此外,从基本研究和实际应用的角度来看,这种材料更有希望。生产多孔的无定形硝基醇是一项艰巨的任务,需要快速冷却方案和最佳条件形成稳定的多孔结构。在目前的工作中,基于分子动力学模拟的结果,我们表明,可以通过将氩气注射到液体熔体中,然后快速冷却所得的混合物,从而获得具有无定形基质的多孔尼替诺。我们发现,系统的孔隙度随着注射氩气的增加而成倍增加。已经确定,该系统应包含大约$ \ sim18 $ - $ 23 $ \%的氩气,以获得开放的多孔结构,而当氩气分数大于$ \ sim23 $ \%时,系统被过热的惰性气体破坏。结果表明,氩气注入的方法使得可以获得具有孔隙率$ \ sim70 $ \%的高度多孔系统,该系统与海绵状的多孔结构相似,类似于Aerogels和Metallic泡沫。

Porous crystalline nitinol is widely applied in various fields of science and technology due to the unique combination of physical and mechanical properties as well as biocompatibility. Porous amorphous nitinol is characterized by improved mechanical properties compared to its crystalline analogues. Moreover, this material is more promising from the point of view of fundamental study and practical application. The production of porous amorphous nitinol is a difficult task requiring rapid cooling protocol and optimal conditions to form a stable porous structure. In the present work, based on the results of molecular dynamics simulations, we show that porous nitinol with the amorphous matrix can be obtained by injection of argon into a liquid melt followed by rapid cooling of the resulting mixture. We find that the porosity of the system increases exponentially with increasing fraction of injected argon. It has been established that the system should contain about $\sim18$--$23$\% argon for obtain an open porous structure, while the system is destroyed by overheated inert gas when the argon fraction is more than $\sim23$\%. It is shown that the method of argon injection makes it possible to obtain a highly porous system with the porosity $\sim70$\% consisting the spongy porous structure similar to aerogels and metallic foams.

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