Grain boundary resistance to amorphization of nanocrystalline silicon carbide

Chen, Dong; Gao, Fei; Liu, Bo

doi:10.1038/srep16602

Cited by 12 publications

(6 citation statements)

References 22 publications

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“…Therefore, defect clusters formation could exhibit local defect accumulation due to the competition between generation and annihilation of point defects at the GBs. A full NC-A transformation is finally reached at a dose of 0.55 dpa, which is very well-consistent with our previous simulation [28]. For the final configuration, we could observe the long-range disordered structure, but local order with tetrahedral networks can be seen to some extent.…”

Section: Resultssupporting

confidence: 91%

Nanocrystalline-to-amorphous Transformation of Silicon Carbide Induced by Atomic Displacement Events

Chen

Guo

Zheng

et al. 2023

J. Phys.: Conf. Ser.

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In nanocrystalline silicon carbide (NC-SiC), nanocrystalline-to-amorphous (NC-A) transformation can be induced due to atomic displacement events. To evaluate the detailed mechanisms of radiation resistance to amorphization and understand the role of grain boundaries (GBs), it is significantly critical to determine the amorphized dose of NC-SiC by inducing atomic displacements and obtain the information of defect behaviors in the NC-A transformation by using molecular dynamics methods. The results of this study revealed that full amorphization of NC-SiC was achieved by randomly displace (1) a Si atom or (2) a Si/C atom at the same dose of displacement per atom (dpa). The migration of carbon interstitial is the driving force in the amorphization process of NC-SiC according to the low migration energy of carbon in 3C-SiC. Moreover, defect clusters subsequently form and merge into the amorphous domains at the GBs, which will reveal the microscopic mechanism of the irradiation-induced NC-SiC amorphization.

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Section: Resultssupporting

confidence: 91%

Nanocrystalline-to-amorphous Transformation of Silicon Carbide Induced by Atomic Displacement Events

Chen

Guo

Zheng

et al. 2023

J. Phys.: Conf. Ser.

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“…Further, in order to ensure the longevity of structures, an ideal coating must also be designed to withstand unparalleled radiation damage levels. On account of their fine grain size, nanoceramic coatings may benefit from the strength and chemical inertness of ceramics, combined with many favorable deformation modes 14 15 16 and with the generally high radiation tolerance demonstrated in nanomaterials 17 18 19 20 21 22 23 24 .…”

mentioning

confidence: 99%

Radiation endurance in Al2O3 nanoceramics

Ferré

Mairov

Ceseracciu

et al. 2016

Sci Rep

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The lack of suitable materials solutions stands as a major challenge for the development of advanced nuclear systems. Most issues are related to the simultaneous action of high temperatures, corrosive environments and radiation damage. Oxide nanoceramics are a promising class of materials which may benefit from the radiation tolerance of nanomaterials and the chemical compatibility of ceramics with many highly corrosive environments. Here, using thin films as a model system, we provide new insights into the radiation tolerance of oxide nanoceramics exposed to increasing damage levels at 600 °C –namely 20, 40 and 150 displacements per atom. Specifically, we investigate the evolution of the structural features, the mechanical properties, and the response to impact loading of Al2O3 thin films. Initially, the thin films contain a homogeneous dispersion of nanocrystals in an amorphous matrix. Irradiation induces crystallization of the amorphous phase, followed by grain growth. Crystallization brings along an enhancement of hardness, while grain growth induces softening according to the Hall-Petch effect. During grain growth, the excess mechanical energy is dissipated by twinning. The main energy dissipation mechanisms available upon impact loading are lattice plasticity and localized amorphization. These mechanisms are available in the irradiated material, but not in the as-deposited films.

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“…[32] The lowest DFT-calculated formation energy is for the Hollow-2 site (%10.0 eV), where sp 2 carbon atom is bonded to three other sp 3 carbon atoms. The next lowest formation energy site is found for the sp 3 carbon atom (bonded) on top of the silicon atom (%10.6 eV). The resultant reconstruction is similar to what has been previously reported.…”

Section: Dft Versus Apmd Simulationsmentioning

confidence: 99%

“…In particular, bulk SiC, existing as more than a hundred different polytypes, has been studied extensively in the past decades, as SiC composites are known for their excellent radiation tolerance, [1,2] with potential applications as nuclear fission and fusion materials, as also atomistic simulations indicate. [3,4] At high temperatures, the metastable cubic polytype transforms to the hexagonal polytype, [5] a conversion observed also at lower temperatures under neutron irradiation. [6] Furthermore, applications of bulk SiC with irradiation-induced defects in the field of quantum computing have been demonstrated.…”

Section: Introductionmentioning

confidence: 99%

Atomistic Simulations of Defects Production under Ion Irradiation in Epitaxial Graphene on SiC

Jain

Kretschmer

Höflich

et al. 2022

Physica Rapid Research Ltrs

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Using first-principles and analytical potential atomistic simulations, production of defects in epitaxial graphene (EG) on SiC upon ion irradiation for ion types and energies accessible in helium-ion microscope is studied. Graphene-SiC systems consisting of the buffer (zero) graphene layer and SiC substrate, as well as one (monolayer) and two (bilayer) additional graphene layers, are focused on. The probabilities for single, double, and more complex vacancies to appear upon impacts of energetic ions in each graphene layer as functions of He-and Ne-ion energies are calculated and the data are compared with those obtained for freestanding graphene. The results indicate that the role of the substrate is minimal for He-ion irradiation with energies above 5 keV, which can be associated with a low sputtering yield from this system upon ion irradiation, as compared with the common Si/SiO 2 substrate. In contrast, SiC substrate has a significant effect on defect production upon Ne-ion irradiation. The results can serve as a guide to the experiments on ion irradiation of EG to choose the optimum ion beam parameters for defect-mediated engineering of such systems, for example, for creating nucleation centers to grow other 2D materials, such as h-BN, on top of the irradiated EG.

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Grain boundary resistance to amorphization of nanocrystalline silicon carbide

Cited by 12 publications

References 22 publications

Nanocrystalline-to-amorphous Transformation of Silicon Carbide Induced by Atomic Displacement Events

Nanocrystalline-to-amorphous Transformation of Silicon Carbide Induced by Atomic Displacement Events

Radiation endurance in Al2O3 nanoceramics

Atomistic Simulations of Defects Production under Ion Irradiation in Epitaxial Graphene on SiC

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