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A molecular dynamics study of dislocation-interphase boundary interactions in FCC/BCC phase transformation system
Computational Materials Science ( IF 3.1 ) Pub Date : 2021-02-01 , DOI: 10.1016/j.commatsci.2020.110141
Zhipeng Sun , Fuzhi Dai , Wenzheng Zhang

Abstract Industrial alloys are often strengthened via the formation of second phase during phase transformation due to the strong barrier of the interfaces between the second phase and the matrix, or interphase boundaries (IPBs), for dislocation propagation. In the present work, molecular dynamics simulation was employed to reveal the atomistic processes of the interactions between the lattice dislocations and face-center-cubic (FCC)/body-center-cubic (BCC) IPBs, including the image force on the lattice dislocation, slip transmission and other local reactions between the lattice dislocation and interfacial dislocations. It is found that the image force always attracts BCC lattice dislocation towards the IPB due to the difference in elastic properties of the two phases. With the presence of external force, four dislocation/IPB interaction results were observed among various dislocation-IPB interactions. Detailed analysis were made regarding how influencing factors such as resolved shear stress, continuity of slip systems, local dislocation reaction and dislocation core spread, affect dislocation-IPB interaction results. The present work provides some new insight into an in-depth understanding of how and in what ways IPBs can affect the plastic deformation in alloy systems.

中文翻译:

FCC/BCC相变体系中位错-相界面相互作用的分子动力学研究

摘要 工业合金通常通过在相变过程中形成第二相来强化,这是由于第二相和基体之间的界面或相间边界 (IPB) 之间存在强势垒,用于位错传播。在目前的工作中,分子动力学模拟被用来揭示晶格位错和面心立方(FCC)/体心立方(BCC)IPB 之间相互作用的原子过程,包括晶格位错上的镜像力、滑移传递和晶格位错和界面位错之间的其他局部反应。发现由于两相的弹性性质不同,镜像力总是将 BCC 晶格位错吸引到 IPB。随着外力的存在,在各种错位-IPB 相互作用中观察到四种错位/IPB 相互作用结果。详细分析了解析剪应力、滑移系连续性、局部位错反应、位错核扩展等影响因素对位错-IPB相互作用结果的影响。目前的工作为深入了解 IPB 如何以及以何种方式影响合金系统中的塑性变形提供了一些新的见解。
更新日期:2021-02-01
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