MD simulation of two-temperature model in ion irradiation of 3C-SiC: Effects of electronic and nuclear stopping coupling, ion energy and crystal orientation

Wu，Jintong1,2; Xu，Zongwei1; Zhao，Junlei3; Rommel，Mathias4; Nordlund，Kai5; Ren，Fei1; Fang，Fengzhou1,2

2021-12-15

10.1016/j.jnucmat.2021.153313

JOURNAL OF NUCLEAR MATERIALS   影响因子和分区

0022-3115

1873-4820

We present a numerical study on swift ion induced effects in crystalline 3C silicon carbide (SiC) by the two-temperature model, which considering the electronic stopping and electronic-phonon coupling effects simultaneously. Given the results of overlapping radiation, there is only a minority of defects formed in the system during the ionization dominance stage. When the incident energy is braked from 20 MeV to 500 keV by ionization after the first 0.91 ps, the system enters the nuclear stopping stage, the incident energy decreases to 50 keV in 0.44 ps, accomplished with a dramatic increase of damage. In addition, for the low-energy ion implantation process, the sparse atomic arrangement perpendicular to the implantation direction will reduce the response of the atomic subsystem. Insights into the complex correlations between electronic and atomic response may pave the way to elucidate the mechanism behind the experimentally observed defect formation and evolution under extreme energy deposition.

2T-MD model Molecular dynamics Radiation effects Silicon carbide

EI ; SCI

英语

其他

National Natural Science Foundation of China[52035009,51575389] ; Sino-German Center for Research Promotion[M-0396] ; State key laboratory of precision measuring technology and instruments[Pilt1705] ; Ministry of Education of China[B07014] ; Joint independent innovation fund of Tianjin University & Lanzhou Jiaotong University[2021XJZ-0059]

Materials Science ; Nuclear Science & Technology

Materials Science, Multidisciplinary ; Nuclear Science & Technology

WOS:000710059400012

ELSEVIER

20214010975049

Atoms ; Crystal orientation ; Defects ; Ion bombardment ; Ionization ; Ions ; Molecular dynamics ; Radiation effects

Physical Chemistry:801.4 ; Chemical Reactions:802.2 ; Inorganic Compounds:804.2 ; Atomic and Molecular Physics:931.3 ; High Energy Physics:932.1 ; Crystal Lattice:933.1.1 ; Materials Science:951

ENGINEERING

2-s2.0-85116068499

Scopus

1.State Key Laboratory of Precision Measuring Technology & Instruments,Laboratory of Micro/Nano Manufacturing Technology,Tianjin University,China
2.Laboratory of Micro/Nano Manufacturing Technology (MNMT-Dublin),University College Dublin,Ireland
3.Department of Electrical and Electronic Engineering,Southern University of Science and Technology,China
4.Fraunhofer Institute for Integrated Systems and Device Technology IISB,Germany
5.Department of Physics,University of Helsinki,Finland

Wu，Jintong,Xu，Zongwei,Zhao，Junlei,et al. MD simulation of two-temperature model in ion irradiation of 3C-SiC: Effects of electronic and nuclear stopping coupling, ion energy and crystal orientation[J]. JOURNAL OF NUCLEAR MATERIALS,2021,557.

Wu，Jintong.,Xu，Zongwei.,Zhao，Junlei.,Rommel，Mathias.,Nordlund，Kai.,...&Fang，Fengzhou.(2021).MD simulation of two-temperature model in ion irradiation of 3C-SiC: Effects of electronic and nuclear stopping coupling, ion energy and crystal orientation.JOURNAL OF NUCLEAR MATERIALS,557.

Wu，Jintong,et al."MD simulation of two-temperature model in ion irradiation of 3C-SiC: Effects of electronic and nuclear stopping coupling, ion energy and crystal orientation".JOURNAL OF NUCLEAR MATERIALS 557(2021).