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Molecular dynamics simulation of the interactions between screw dislocation and stacking fault tetrahedron in Fe-10Ni-20Cr and Ni

机译:Fe-10Ni-20cr和Ni中螺杆位错和堆叠故障Tetrahedron相互作用的分子动力学模拟

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摘要

Radiation-induced defects are the significant cause of radiation damage in austenitic stainless steels. In this work, the interactions between a screw dislocation and stacking fault tetrahedrons (SFTs) are studied in Fe-10Ni-20Cr (a model alloy of austenitic stainless steel) and Ni, using molecular dynamics simulations. Four interaction processes were primarily found, including (1) partial absorption, (2) sheared, (3) bypassing, and (4) restored through double cross-slip. In Fe-10Ni-20Cr alloys, there is almost no correlation between the critical resolved shear stress (CRSS) value and SFT size, but the intersection position largely impacts the results. And the CRSS value decreases with temperature increasing in Fe-10Ni-20Cr. The occurrence of cross-slip has a significant effect on the interactions, and there exist greater CRSS value in the interactions of cross-slipping. Besides, the occurrence of the cross-slip is linked to the stacking fault energy and the distribution of solute atoms of the alloys.
机译:辐射诱导的缺陷是奥氏体不锈钢辐射损伤的显着原因。在这项工作中,使用分子动力学模拟,在Fe-10Ni-20cr(奥氏体不锈钢)和Ni中,研究了螺钉脱位和堆叠故障四边体(SFT)之间的相互作用。主要发现四种相互作用过程,包括(1)部分吸收,(2)剪切,(​​3)旁路,(4)通过双交滑恢复。在Fe-10Ni-20Cr合金中,临界分辨剪切应力(CRS)值和SFT尺寸几乎没有相关性,但交叉点在很大程度上影响结果。并且CRSS值随着Fe-10Ni-20cr的温度增加而降低。交叉的发生对相互作用具有显着影响,并且在交叉滑动的相互作用中存在更大的CRSS值。此外,交叉的发生与堆叠故障能量和合金的溶质原子的分布相关联。

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