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Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel
Materials Research Letters ( IF 8.3 ) Pub Date : 2019-08-28 , DOI: 10.1080/21663831.2019.1659435
Eva Zarkadoula 1 , German Samolyuk 1 , William J. Weber 1, 2
Affiliation  

The role of the electronic system in high energy displacement cascades is explored. The energy exchange between the electronic and the atomic subsystem is described by the electron–phonon coupling. The electronic effects on the damage accumulation due to 100 keV Ni ion cascades in nickel, a prototype system to a large group of nickel-based high entropy alloys, are investigated for overlapping cascades. It is shown that the energy exchange between the two subsystems affects microstructure evolution, resulting in the formation of smaller clusters and more isolated defects. This effect is more significant for the vacancy cluster formation and size distribution.



中文翻译:

电子-声子耦合对损伤镍分子动力学模拟中损伤累积的影响

探索了电子系统在高能级联反应中的作用。电子与原子子系统之间的能量交换通过电子-声子耦合来描述。对于重叠的级联,研究了镍中100 keV Ni离子级联对一大组镍基高熵合金的原型系统造成的损伤累积的电子效应。结果表明,两个子系统之间的能量交换影响了微观结构的演化,从而导致形成了较小的团簇和更多的孤立缺陷。对于空位簇的形成和大小分布,此影响更为显着。

更新日期:2019-08-28
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