Impact of swift heavy ion-induced point defects on nanoscale thermal transport in ZnO


Abdullaev A. Sekerbayev K. Rymzhanov R. Skuratov V. Connell J.O. Shukirgaliyev B. Kozlovskiy A. Wang Y. Utegulov Z.
July 2024Elsevier Ltd

Materials Research Bulletin
2024#175

Near-surface nanoscale thermal conductivity (k) variation of ion-irradiated single-crystalline ZnO was studied by time-domain thermoreflectance. ZnO was irradiated by 710 MeV Bi swift heavy ions (SHI) in the 1010–1013 ion/cm2 fluence range to investigate the progression of radiation damage both from single ion impacts and ion path overlapping regimes. Structural characterization using X-ray diffraction, Raman spectroscopy, and transmission electron microscopy indicated the absence of amorphization. The degradation in k was attributed primarily due to phonon scattering on point defects. The results of measured k were used to validate several models including the semi-analytical Klemens-Callaway model, and a novel hybrid modeling approach based on the Monte-Carlo code TREKIS coupled with molecular dynamics simulations which captures the effects of single ion and ion path overlapping regimes, respectively. The findings promote a novel approach to developing radiation-controlled thermally functional materials.

A. ZnO , B. Radiation damage , C. Molecular dynamics , D. defects , E. Thermal conductivity

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Department of Physics, School of Sciences and Humanities, Nazarbayev University, Astana, 010000, Kazakhstan
Laboratory of Computational Materials Science, Center for Energy and Advanced Materials Science, National Laboratory Astana, Astana, 010000, Kazakhstan
Joint Institute for Nuclear Research, Moscow Region, Dubna, 141980, Russian Federation
The Institute of Nuclear Physics, Ibragimov St. 1, Almaty, 050032, Kazakhstan
Dubna State University, Moscow Region, Dubna, 141980, Russian Federation
National Research Nuclear University MEPhI, Moscow, 115409, Russian Federation
Centre for HRTEM, Nelson Mandela University, Port Elizabeth, 6001, South Africa
Energetic Cosmos Laboratory, Nazarbayev University, Astana, 010000, Kazakhstan
Department of Computation and Data Science, Astana IT University, Astana, 010000, Kazakhstan
Faculty of Physics and Technology, Al-Farabi Kazakh National University, Almaty, 050040, Kazakhstan
Engineering Profile Laboratory, L.N. Gumilyov Eurasian National University, Astana, 010008, Kazakhstan
Department of Chemical & Materials Engineering, School of Engineering and Digital Sciences, Nazarbayev University, Astana, 010000, Kazakhstan

Department of Physics
Laboratory of Computational Materials Science
Joint Institute for Nuclear Research
The Institute of Nuclear Physics
Dubna State University
National Research Nuclear University MEPhI
Centre for HRTEM
Energetic Cosmos Laboratory
Department of Computation and Data Science
Faculty of Physics and Technology
Engineering Profile Laboratory
Department of Chemical & Materials Engineering

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