论文标题

马氏体孪生的原子观点

An atomistic perspective of martensite twinning in Iron

论文作者

Karewar, Shivraj, Elzas, Astrid, Sietsma, Jilt, Santofimia, Maria J.

论文摘要

马氏体转化是金属科学中最重要的现象之一,因为它对钢和大多数工程合金的强度做出了重要贡献。然而,尚不清楚导致马氏体成核和双形态的基本原子机制。如果要正确理解马氏体的加强作用,则需要在这方面进行详细的图像。这项工作介绍了使用Nishiyama-Wasserman方向关系的Model FCC/BCC半辅助界面对马氏体转化的分子动力学(MD)模拟。在这项工作中详细介绍了对这一重要现象的重要洞察力,该研究表明,马氏体相的原子位移引起成核和双形态形成,源自FCC/BCC界面。界面促进了在转化过程中的初始原子剪切,这又导致应力诱导的均质成核和双形态形成。对导致双形态形成的原子过程的理解将允许控制孪生过程,以进一步增强机械性能。

The martensitic transformation is one of the most important phenomena in metals science due to its essential contribution to the strength of steels and most engineering alloys. Yet the basic, atomistic mechanisms leading to martensite nucleation and twin morphology are not yet known. A detailed picture in this regard is required if the strengthening effects of martensite are to be properly understood. This work presents molecular dynamics (MD) simulations of the martensitic transformation using a model fcc/bcc semi-coherent interface with Nishiyama-Wasserman orientation relationship. Significant insight into this important phenomenon is detailed in this work which shows that the atomic displacements that cause nucleation and twin morphology formation of the martensitic phase originate at the fcc/bcc interface. The interface facilitates the initial atomic shear during the transformation which in turn causes the stress-induced homogeneous nucleation and twin morphology formation. The understanding of the atomistic processes leading to the twin morphology formation will allow the control of the twinning process for further enhancement of mechanical properties.

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