The Influence of PKA Direction on Displacement Cascade Evolution
The Influence of PKA Direction on Displacement Cascade Evolution
复制标题
PKA方向对位移级联演化的影响
DOI：
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发表时间：
2000
期刊：
影响因子：
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通讯作者：
R. Stoller
中科院分区：
文献类型：
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作者：
R. Stoller
利用分子动力学模拟建立了铁中原子位移级联的数据库。超过300级联已完成在100 K在100 eV和100 keV之间的能量，在600和900 K的模拟较少。对数据库的系统评估揭示了PKA方向在低能模拟中的意想不到的影响。对于位于密排{110}面的主爆震（PKA）方向，叶栅往往被限制为仅在二维中发展。这种平面“沟道”导致更高的点缺陷生存比当一个随机的高指数PKA方向被用来启动级联。例如，在300 eV级联中产生的稳定Frenkel对的平均数对于用[135] PKA启动的级联是约2.1，并且对于[114]级联是3.2。对于高达2 keV的能量，观察到PKA方向效应的一些影响。间隙聚集行为也似乎受到影响，在级联与高缺陷生存。
An extensive database of atomic displacement cascades in iron has been developed using molecular dynamic simulations. More than 300 cascades have been completed at 100K at energies between 100 eV and 100 keV, with fewer simulations at 600 and 900K. A systematic evaluation of the database has revealed an unexpected influence of PKA direction in low energy simulations. For primary knockon (PKA) directions that lie in the close-packed {110} planes, the cascade tends to be constrained to develop in only two dimensions. This planar “channeling” leads to much higher point defect survival than when a random high-index PKA direction is used to initiate the cascade. For example, the average number of stable Frenkel pair produced in 300 eV cascades is about 2.1 for cascades initiated with a [135] PKA, and 3.2 for [114] cascades. Some influence of this PKA direction effect was observed for energies up to 2 keV. The interstitial clustering behavior also appears to be affected in cascades with high defect survival.