Molecular Dynamics Study of the Temperature Effects on Damage Mechanisms of Ni Films Irradiated by Extreme Ultraviolet Free-electron Laser

Ming TANG; Shuang LU; Zhanglin HU; Shuhui LI; Chao YUN; Yinzhuo HU; Jie CHEN; Wenbin LI; Zhanshan WANG

doi:10.3788/gzxb20245311.1131002

Acta Photonica Sinica, Volume. 53, Issue 11, 1131002(2024)

Molecular Dynamics Study of the Temperature Effects on Damage Mechanisms of Ni Films Irradiated by Extreme Ultraviolet Free-electron Laser

Ming TANG1...2, Shuang LU1,3, Zhanglin HU1,2, Shuhui LI1,2, Chao YUN1,2, Yinzhuo HU1,2, Jie CHEN1,3, Wenbin LI1,2,*, and Zhanshan WANG12,** |Show fewer author(s)

Author Affiliations

¹Nanophononics MOE Key Laboratory of Advanced Micro-Structured Materials，Shanghai 200092，China

²Institute of Precision Optical Engineering，School of Physics Science and Engineering，Tongji University，Shanghai 200092，China

³Center for Phononics and Thermal Energy Science，China-EU Joint Lab for Nanophononics MOE Key Laboratory of Advanced Micro-structured Materials，School of Physics Science and Engineering，Tongji University，Shanghai 200092，China

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Figures & Tables(7)

Fig. 1. Model diagram of TTM-MD method

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Fig. 2. The relationship between the melting threshold and the initial temperature of Ni films （50 nm），the dashed line represents the extension of the fitted solid line

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Fig. 3. Atomic snapshots at 19 ps for initial temperatures of 300 K，900 K，and 1 300 K with red marked atoms in a molten state and dark blue marked atoms in a crystalline state

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Fig. 4. The temperature distribution diagram of Ni film （50 nm） at different initial temperature when melting damage occurs，the purple marked area represents the melting area

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Fig. 5. The stress distribution diagram of Ni film （50 nm） at different initial temperature when melting damage occurs，the purple marked area represents the melting area

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Table 0. The overheating ratio of the homogeneous nucleation region at different initial temperatures and the average heating rate in the middle （24~26 nm） region of the film
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Table 0. The overheating ratio of the homogeneous nucleation region at different initial temperatures and the average heating rate in the middle （24~26 nm） region of the film
Initial temperature of Ni film $T / T_{m}$ Average heating rate （ $\times 10^{13} K \cdot s$ ^-1）
300 K 1.06 4.4
500 K 1.06 3.5
700 K 1.05 2.8
900 K 1.04 1.8
1 100 K / 0.6
1 300 K / 0.5

Table 0. Simulation parameters of TTM-MD

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Table 0. Simulation parameters of TTM-MD

Parameter	Symbol	Value	Reference
FEL pulse width	$τ_{p}$	200 fs
FEL wavelength	$λ$	13.5 nm
Electronic thermal conductivity	$K_{e}$	$K_{e} = K_{0} T_{e} / T_{l}$ ， $K_{0}$ =91 W/m/K	［43］
Electronic heat capacity	$C_{e}$	$C_{e} = γ T_{e}$ ， $γ$ =1 065 J/m³/K²	［43］
Penetration depth	$δ$	2.88 nm	［44］
Electron-phonon coupling constant	$G$	3.6 $\times$ 10¹⁷ W/m³/K^-1	［43］
Blast force constant	B	0.667	［38］
Electronic mean free path	$λ_{e}$	13.3 nm	［45］

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Ming TANG, Shuang LU, Zhanglin HU, Shuhui LI, Chao YUN, Yinzhuo HU, Jie CHEN, Wenbin LI, Zhanshan WANG. Molecular Dynamics Study of the Temperature Effects on Damage Mechanisms of Ni Films Irradiated by Extreme Ultraviolet Free-electron Laser[J]. Acta Photonica Sinica, 2024, 53(11): 1131002

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