TY - JOUR
T1 - Thermal transport recovery in irradiated SiC mediated by nano-layered stacking faults
AU - Sekerbayev, Kairolla S.
AU - Farzadian, Omid
AU - Wang, Yanwei
AU - Utegulov, Zhandos N.
N1 - Publisher Copyright:
© 2024 The Authors
PY - 2025/2
Y1 - 2025/2
N2 - We investigate phonon thermal transport and resistance to ion irradiation in nanostructured 3C-SiC using molecular dynamics (MD) simulations. Two-dimensional planar defects in the form of stacking faults (SFs) spaced within nanometer-scale vicinity from each other promote healing of both: radiation-induced point defects (PDs) and thermal conductivity (k) under 10 keV Si ion irradiation number of displacements per atoms (DPA= 0.0016 – 0.034). With the rise of DPA below the onset of amorphization, the decay in k due to PDs and SFs is found to be less rapid than that due to the presence of only PDs. Observed relative recovery of heat conductivity is due to enhanced recombination of Frenkel pair PDs spatially confined between neighboring SFs, as confirmed by collision cascade MD simulations. Calculations from the Boltzmann transport equation combined with the Klemens model are consistent with findings from MD simulations. The interplay between enhanced PD recombination and thermal transport recovery is observed for different types of SFs. Obtained results pave the way to guide the design of nano-engineered nuclear ceramics with simultaneously enhanced radiation tolerance and heat conductive properties.
AB - We investigate phonon thermal transport and resistance to ion irradiation in nanostructured 3C-SiC using molecular dynamics (MD) simulations. Two-dimensional planar defects in the form of stacking faults (SFs) spaced within nanometer-scale vicinity from each other promote healing of both: radiation-induced point defects (PDs) and thermal conductivity (k) under 10 keV Si ion irradiation number of displacements per atoms (DPA= 0.0016 – 0.034). With the rise of DPA below the onset of amorphization, the decay in k due to PDs and SFs is found to be less rapid than that due to the presence of only PDs. Observed relative recovery of heat conductivity is due to enhanced recombination of Frenkel pair PDs spatially confined between neighboring SFs, as confirmed by collision cascade MD simulations. Calculations from the Boltzmann transport equation combined with the Klemens model are consistent with findings from MD simulations. The interplay between enhanced PD recombination and thermal transport recovery is observed for different types of SFs. Obtained results pave the way to guide the design of nano-engineered nuclear ceramics with simultaneously enhanced radiation tolerance and heat conductive properties.
KW - Ion irradiation
KW - Molecular dynamics
KW - Point defects
KW - SiC
KW - Stacking faults
KW - Thermal conductivity
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U2 - 10.1016/j.jnucmat.2024.155543
DO - 10.1016/j.jnucmat.2024.155543
M3 - Article
AN - SCOPUS:85211075175
SN - 0022-3115
VL - 605
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
M1 - 155543
ER -