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arXiv 1407.7218cond-mat.mtrl-sci
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用OKMC计算位错和环的下沉强度

Sink strength calculations of dislocations and loops using OKMC

Ville Jansson, Lorenzo Malerba, Andrée De Backer, Charlotte S. Becquart, Christophe Domain

摘要:

我们用物体动力学蒙特卡罗方法计算了位错和环形吸收体的下沉强度,并与理论公式进行了比较。在体积分数较低的情况下,我们对三维迁移缺陷的位错和环形吸收体有很好的一致性,对一维迁移缺陷的位错有较好的一致性。3D到1D过渡的主曲线用环形吸收体很好地再现,用位错也相当好地再现。我们的结论是,一方面,主曲线是正确的,为广泛的水槽,另一方面,OKMC技术固有地考虑到正确的任何形状的水槽的强度,提供了一个有效的方法,适当地插入水槽进行研究可以找到。

英文摘要:

We calculate the sink strength of dislocations and toroidal absorbers using Object Kinetic Monte Carlo and compare with the theoretical expressions. We get good agreement for dislocations and loop-shaped absorbers of 3D migrating defects, provided that the volume fraction is low, and fair agreements for dislocations with 1D migrating defects. The master curve for the 3D to 1D transition is well reproduced with loop-shaped absorbers and fairly well with dislocations. We conclude that, on the one hand, the master curve is correct for a wide range of sinks and that, on the other, OKMC techniques inherently take correctly into account the strengths of sinks of any shape, provided that an effective way of appropriately inserting the sinks to be studied can be found.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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