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学术报告:Study of mechanisms controlling the nucleation and growth of the bcc phase in pure iron with bcc/fcc semi-coherent interfaces by molecular dynamics simulations
发布时间:2016/6/14 15:49                  浏览次数:1742 次 
 

报告题目: Study of mechanisms controlling the nucleation and growth of the bcc phase in pure iron with bcc/fcc semi-coherent interfaces by molecular dynamics simulations

 

告人: 欧小琴 PhD. (夫特理工大学)

 

告人: 欧小琴,荷夫特理工大学在读博士研究生。本科及研究生毕业于中南大学粉末冶金研究院。士期间主要研究超细晶硬质合金的制备与表征,以第一作者在International journal of refractory metals & hard materials杂志发表论文2篇及会议论文1篇,以第二作者及以后发表论文6篇和专利5篇。博士期间研究主要通过分子动力学方法(Molecular dynamics simulation) 研究钢的马氏体相变中的形核和长大机制。目前以第一作者在Modelling and Simulation in Materials Science and Engineering Materials Science and Technology志上表相关2篇,国议论1篇。研究得到 European Research Council under the European Union’s Seventh Framework Programme FP7/2007-2013/ERC grant agreement n° [306292]助。本研究有助于加深对实际生产中钢的相变机制的了解以及对其生产过程中参数的优化控制,从而提高钢的结构及性能。

 

 

报告摘要:

Molecular dynamics simulations have been used to study the effects of different orientation relationships between fcc and bcc phases on the bcc/fcc interfacial propagation in pure iron systems at 300 K. Three semi-coherent bcc/fcc interfaces have been investigated. The bcc/fcc interfaces propagated into the original fcc phase in a facetted style. Heterogeneous nucleation of bcc phase is observed nearby the propagating bcc/fcc interfaces, pinning the further growth of the original bcc phase. Besides, Homogenous nucleation of bcc phase is also observed inside the original fcc bulk. In all the cases, results show that growth of the bcc phase starts in the areas of low potential energy and progresses into the areas of high potential energy at the original bcc/fcc interfaces. The phase transformation in areas of low potential energy is of a martensitic nature while that in the high potential energy areas involves occasional diffusional jumps of atoms.

 

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