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Parametric study of the Two-Temperature Model for Molecular Dynamics simulations of collisions cascades in Si and Ge
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms ( IF 1.3 ) Pub Date : 2020-10-21 , DOI: 10.1016/j.nimb.2020.09.025
Thomas Jarrin , Antoine Jay , Anne Hémeryck , Nicolas Richard

The sensitivity of collision cascades simulations to the Two-Temperature Model main parameters is investigated by performing an extensive statistical study both in Si and Ge materials. The purpose is to identify the parameters of the Two-Temperature Model whose impact is the most significant on the cascades properties and to discuss the physical role of each parameter. We demonstrate that the electronic stopping power and electron–phonon coupling have a drastic impact both in Si and Ge but that these two parameters act differently on those two materials due to their distinct thermal properties. We show that the formation of thermal spikes and therefore of amorphous pockets is sensitive to the electronic specific heat. The effects are again very distinct in Si and in Ge. The influence of both the threshold velocity for the stopping power and the electron–phonon coupling activation time are found to be negligible at the considered energies.



中文翻译:

Si和Ge碰撞级联分子动力学模拟的两温模型的参数研究

通过在Si和Ge材料中进行广泛的统计研究,研究了碰撞级联仿真对两温模型主要参数的敏感性。目的是确定“双温度模型”的参数,该参数对级联特性的影响最大,并讨论每个参数的物理作用。我们证明,电子截止功率和电子-声子耦合对Si和Ge都产生了巨大的影响,但是由于这两种材料的不同热性质,这两个参数对它们的作用不同。我们表明,热尖峰的形成以及因此非晶形袋对电子比热敏感。硅和锗的影响再次非常不同。

更新日期:2020-10-29
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