Molecular dynamics study of structural damage in amorphous silica induced by swift heavy-ion radiation

Zhen, Jiang; Yang, Qing; Yan, Yihua; Jiang, Xinli; Yan, Shixing; Chen, W.; Guo, Xiaoqiang

doi:10.1080/10420150.2016.1194413

Cited by 17 publications

(3 citation statements)

References 39 publications

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“…In this study, 120 keV He can initiate maximum 52.5 keV Si, 76.8 keV O and 90 keV C primary knock-on atoms (PKA). These PKA energy are much larger than the threshold displacement energy for Si, O, C elements (20–40 eV) 31 , 32 , giving rise to ballistic displacements of atoms within materials. It is generally known that nuclear stopping processes can lead to net bond breaking in irradiated materials.…”

Section: Discussionmentioning

confidence: 93%

Helium Irradiation and Implantation Effects on the Structure of Amorphous Silicon Oxycarbide

Inoue

Ishimaru

et al. 2017

Sci Rep

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Despite recent interest in amorphous ceramics for a variety of nuclear applications, many details of their structure before and after irradiation/implantation remain unknown. Here we investigated the short-range order of amorphous silicon oxycarbide (SiOC) alloys by using the atomic pair-distribution function (PDF) obtained from electron diffraction. The PDF results show that the structure of SiOC alloys are nearly unchanged after both irradiation up to 30 dpa and He implantation up to 113 at%. TEM characterization shows no sign of crystallization, He bubble or void formation, or segregation in all irradiated samples. Irradiation results in a decreased number of Si-O bonds and an increased number of Si-C and C-O bonds. This study sheds light on the design of radiation-tolerant materials that do not experience helium swelling for advanced nuclear reactor applications.

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Section: Discussionmentioning

confidence: 93%

Helium Irradiation and Implantation Effects on the Structure of Amorphous Silicon Oxycarbide

Inoue

Ishimaru

et al. 2017

Sci Rep

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“…Time-resolved MD simulations of the Si–O–C network matrix, (a) amorphous SiOC model, and (b) model in the peak-damage state, and only the atoms with energies above displacement threshold energy are shown, which is 33.5 eV for Si, 16.3 eV for O, and 24.3 eV for C. , (c) Top view of the cascade with maximum cascade size. Close-ups of the model showing microstructural changes in the (d) initial state, (e) peak-damage state, and (f) final state.…”

Section: Resultsmentioning

confidence: 99%

Radiation Effects in the Crystalline–Amorphous SiOC Polymer-Derived Ceramics: Insights from Experiments and Molecular Dynamics Simulation

Niu

Gao

Zhao

et al. 2021

ACS Appl. Mater. Interfaces

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Radiation-tolerant materials are in great demand for safe operation and advancement of nuclear and aerospace systems. Nanostructuring is a key strategy to improve the radiation tolerance of materials. SiOC polymer-derived ceramics (PDCs) are unique synthetic nanocomposites consisting of β-SiC nanocrystals and turbostratic graphite distributed in amorphous SiOC matrix, which are "all-rounder" materials for many advanced structural and functional applications. Radiation effects in the crystalline−amorphous system have been investigated in detail by experiments and molecular dynamics (MD) simulations. The results indicate that the amorphous SiOC structure retains amorphous accompanied by redistribution of the Si-containing tetrahedra. The graphite is shown to amorphize more easily than β-SiC nanocrystals under the same irradiation condition. The sample richer in oxygen, namely, containing more amorphous SiOC, shows less disordering of graphite, resulting from greater mitigation of radiation damage by the amorphous phase as efficient sinks. This study provides details of the microstructure evolution of SiOC PDCs under ion irradiation, as well as insights for the design and development of advanced ion damage-resistant materials.

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“…A large number of radial cracks and axial cracks appeared along the periphery of the fused silica [12][13][14] that was accompanied by material injection. Zhen et al [15] and Umari et al [16] analyzed the structures before and after the breakdown of fused glass on the microscale. These studies have shown that ionization breakdown and plasma are the main causes of glass damage, and the resulting plasma shock waves cause a more extensive damage.…”

Section: Introductionmentioning

confidence: 99%

Study on damage characteristics of fused silica glass induced by plasma shock wave with finite element method

Shen

Chang

Feng

et al. 2019

J. Phys. D: Appl. Phys.

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The damage problem of fused silica has always been one of the bottlenecks limiting the energy output of the high-power laser system. For optical components, the ionization breakdown by laser is the main factor causing damage, especially for laser plasma shock waves, which can cause large-scale fracture damage in fused silica. In this paper, the fused silica damage experiment was induced by a nanosecond laser, and the damage morphology of fused silica in the thickness range of 0.8-5.0 mm was obtained under the action of a 1-20 pulse. The damage size of fused silica decreases as the thickness of the material increases until the thickness of the material is greater than, or equal to, 1.4 mm. On the basis of theoretical analysis of a plasma shock wave, the coupling and transmission of shock wave in fused silica were studied by finite element method, and the magnitude and direction distribution of stress were obtained. By analyzing the fracture characteristics and Raman spectra of the three damaged regions of fused silica, the structural differences of a range of damage regions are analyzed, and the relationship between the macroscopic damage of fused silica and the microstructure is explained. The research results can provide a reference for understanding the characteristics and mechanism of damage characteristics induced by laser plasma shock wave.

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Molecular dynamics study of structural damage in amorphous silica induced by swift heavy-ion radiation

Cited by 17 publications

References 39 publications

Helium Irradiation and Implantation Effects on the Structure of Amorphous Silicon Oxycarbide

Helium Irradiation and Implantation Effects on the Structure of Amorphous Silicon Oxycarbide

Radiation Effects in the Crystalline–Amorphous SiOC Polymer-Derived Ceramics: Insights from Experiments and Molecular Dynamics Simulation

Study on damage characteristics of fused silica glass induced by plasma shock wave with finite element method

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