Bi Gang, Kang Jun, Wang Lin-Wang
School of Information and Electrical Engineering, Zhejiang University City College, Hangzhou 310015, China and Material Science Diversion, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
Material Science Diversion, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.
Phys Chem Chem Phys. 2017 Mar 29;19(13):9053-9058. doi: 10.1039/c7cp00132k.
Liquid lithium is often used as a coating material in fusion reaction chambers, where it is under constant bombardment from high speed neutrons and protons. However, numerous fundamental questions are unanswered, for example whether a single proton impact can cause Li atom sputtering, and what is the electron excitation energy profile after a collision particularly for extremely high energy projectiles. Herein, we use a real-time dependent density functional method to study these questions for proton energies in the range of 30 eV to 1 MeV. The calculated stopping power agrees well with experiment, and it is found that the stopping power cannot be described by the single electron exciting spectrum based on the adiabatic eigen energies, and Li atom sputtering is not observed within our simulation time.
液态锂经常被用作聚变反应室的涂层材料，在那里它受到高速中子和质子的持续轰击。然而，许多基本问题仍未得到解答，例如单个质子撞击是否会导致锂原子溅射，以及碰撞后电子激发能分布情况如何，特别是对于极高能量的射弹。在此，我们使用实时依赖密度泛函方法来研究质子能量在30电子伏特至1兆电子伏特范围内的这些问题。计算得到的阻止本领与实验结果吻合良好，并且发现阻止本领不能用基于绝热本征能量的单电子激发谱来描述，而且在我们的模拟时间内未观察到锂原子溅射现象。
