Radiation damage behavior of amorphous SiOC polymer-derived ceramics: the role of in situ formed free carbon
Source abstract
Abstract
Abstract Free carbon networks (FCN) in situ formed in the amorphous SiOC polymer-derived ceramics (PDCs) have been reported to have significant effects on the material microstructures as well as the related structural and functional properties. In this paper, detailed effects of the FCN on the radiation damage process and mechanisms of the amorphous SiOC PDC are investigated by using ab initio molecular dynamics simulations. The radiation simulations were conducted by introducing a random Si atom with kinetic energy of 80 eV as the primary knock-on atom. The FCN are proven to be beneficial to absorb the ion induced kinetic energy and convert it into thermal spike, which can be dissipated as thermal energy. The FCN interfaces with Si-O-C matrix can also capture the displaced atoms easily, thus reducing the cascade damage. The SiOC PDC is promising to be radiation tolerant materials for the prevention of radiation defect accumulation by the contained amorphous phase and FCN structure.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Nuclear materials and radiation effects · Ion-surface interactions and analysis · Advanced ceramic materials synthesis
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (52)
Show source-provided references
1. Nuclear Energy Institute, from https://www.nei.org/resources/statistics, last (Accessed 20 October 2019).
2. Radiation damage in nanostructured materials10.1016/j.pmatsci.2018.03.002 ↗
3. Designing radiation resistance in materials for fusion energy10.1146/annurev-matsci-070813-113627 ↗
4. Radiation damage tolerant nanomaterials10.1016/j.mattod.2013.10.019 ↗
5. Are nanoporous materials radiation resistant?10.1021/nl201383u ↗
6. Defect-interface interactions10.1016/j.pmatsci.2015.02.001 ↗
7. Controlling radiation damage10.1126/science.1188088 ↗
8. Efficient annealing of radiation damage near grain boundaries via interstitial emission10.1126/science.1183723 ↗
9. Design of radiation tolerant materials via interface engineering10.1002/adma.201303400 ↗
10. Damage-tolerant nanotwinned metals with nanovoids under radiation environments10.1038/ncomms8036 ↗
11. In situ study of defect migration kinetics and self-healing of twin boundaries in heavy ion irradiated nanotwinned metals10.1021/nl504677z ↗
12. Non-random walk diffusion enhances the sink strength of semicoherent interfaces10.1038/ncomms10424 ↗
13. Radiation response of amorphous metal alloys: subcascades, thermal spikes and super-quenched zones10.1016/j.actamat.2014.10.020 ↗
14. Superior radiation tolerant materials: amorphous silicon oxycarbide10.1016/j.jnucmat.2015.02.039 ↗
15. Hydrogen enhances the radiation resistance of amorphous silicon oxycarbides10.1016/j.actamat.2017.07.017 ↗
16. Helium irradiation and implantation effects on the structure of amorphous silicon oxycarbide10.1038/s41598-017-04247-x ↗
17. Dose dependence of radiation damage in nano-structured amorphous SiOC/crystalline Fe composite10.1080/21663831.2015.1103796 ↗
18. Temperature-dependent ion-beam mixing in amorphous SiOC/crystalline Fe composite10.1080/21663831.2016.1174164 ↗
19. In-situ observation of radiation damage in nano-structured amorphous SiOC/crystalline Fe composite10.1016/j.scriptamat.2015.10.009 ↗
20. Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing10.1016/j.actamat.2017.06.020 ↗
21. Strength and plasticity of amorphous silicon oxycarbide10.1016/j.jnucmat.2019.01.035 ↗
22. Compositional effects on radiation tolerance of amorphous silicon oxycarbide10.1016/j.jnucmat.2019.03.012 ↗
23. The fate and role of in situ formed carbon in polymer-derived ceramics10.1016/j.pmatsci.2019.100623 ↗
24. Reactive dynamics simulation study on the pyrolysis of polymer precursors to generate amorphous silicon oxycarbide structures10.1021/acs.jpcc.7b12287 ↗
25. Preparation and the effects of ion irradiation on bulk SiOC ceramics10.1016/j.jeurceramsoc.2018.12.027 ↗
26. Structural characterization and high temperature behaviour of silicon oxycarbide glasses prepared from sol-gel precursors containing Si-H bonds10.1111/j.1151-2916.1995.tb08811.x ↗
27. Influence of free carbon on the Young's modulus and hardness of polymer-derived silicon oxycarbide glasses10.1111/jace.16131 ↗
28. Mechanical characterization of sol-del-derived silicon oxycarbide glasses10.1111/j.1151-2916.1996.tb08939.x ↗
29. 40 years of research and innovation in advanced ceramics10.1111/j.1551-2916.2010.03876.x ↗
30. Electrical conductivity measurements as a microprobe for structure transitions in polysiloxane derived Si-O-C ceramics10.1016/S0955-2219(00)00068-6 ↗
31. Influence of carbon enrichment on electrical conductivity and processing of polycarbosilane derived ceramic for MEMS applications10.1016/j.jeurceramsoc.2014.06.002 ↗
32. Enhanced electrical and thermal conductivities of silicon oxycarbide nanocomposites containing carbon nanofibers10.1016/j.carbon.2018.05.075 ↗
33. A reactive force field for hydrocarbons10.1021/jp004368u ↗
34. Reactive force field for simulations of the pyrolysis of polysiloxanes into silicon oxycarbide ceramics10.1021/acs.jpcc.9b03810 ↗
35. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
36. Structure and energetics of SiOC and SiOC-modified carbon-bonded carbon fiber composites10.1111/jace.14830 ↗
37. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗
38. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
39. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
40. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
41. Special points for brillonin-zone integrations10.1103/PhysRevB.13.5188 ↗
42. M. Nastasi, J. Mayer, J. Hirvonen, Ion-solid interactions: Fundamentals and applications, Cambridge, 2004.
43. Molecular dynamics study of structural damage in amorphous silica induced by swift heavy-ion radiation10.1080/10420150.2016.1194413 ↗
44. Electron knock-on cross section of carbon and boron nitride nanotubes10.1103/PhysRevB.75.245402 ↗
45. Allen · 1991
46. Oxidation simulation study of silicon carbide nanowires: A carbon-rich interface state10.1016/j.apsusc.2019.07.016 ↗
47. Reactive force field for simulations of the pyrolysis of polysiloxanes into silicon oxycarbide ceramics10.1021/acs.jpcc.9b03810 ↗
48. Thermodynamically stable SiOC polymer-like amorphous ceramics10.1111/j.1551-2916.2007.01874.x ↗
49. Modeling the “free carbon” phase in amorphous silicon oxycarbide10.1016/j.jnoncrysol.2005.01.010 ↗
50. Radiation tolerance of iron phosphate: A study of amorphous and cystalline structures10.1016/j.jnucmat.2016.07.028 ↗
51. Size-dependent brittle-to-ductile transition in silica glass nanofibers10.1021/acs.nanolett.5b03070 ↗
52. Preparation and structure of silicon oxycarbide glasses derived from polysiloxane precursors10.1023/A:1026439102573 ↗