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Chemical analysis of ion traces in the betta Ga2O3 structure and fundamentals of molecular dynamics of mobilization hydrogen and helium molecules

A.S. NygymanovaL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanG. YergaliulyL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanBakytbek MauyeyL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanRauan TurarL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanKanat MakhanovL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanYerzhan TulekovL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanZhanibek KurmanaliyevL.N. Gumilyov Eurasian National University, Astana, 010008, KazakhstanЗ. А. ШариповInternational Intergovernmental Organization Joint Institute for Nuclear Research, Dubna, 141980, RussianGunel ImanovaInstitute of Radiation Problems, Ministry of Science and Education Republic of Azerbaijan, Baku, АZ1143, AzerbaijanI.R. BekpulatovKarshi State University, Karshi, UzbekistanИ. И. ВиноградовInternational Intergovernmental Organization Joint Institute for Nuclear Research, Dubna, 141980, RussianM.N. MirzayevInstitute of Radiation Problems, Ministry of Science and Education Republic of Azerbaijan, Baku, АZ1143, Azerbaijan
Results in Materialsjournal2026en
ABI

Аннотация

In the presented work, the molecular dynamics simulation and thermal conductivity mechanism of implantation of beta Ga 2 O 3 structure with hydrogen and helium ions with energy 100 eV were analyzed. The mechanism of the initial formation stages of gas-atom-gas clustering in the β-Ga 2 O 3 structure by proton and helium implantation was simulated using the LAMMPS package. The thermal conductivity is anisotropic in the crystal structure, and varies depending on the crystal orientation, with the highest conductivity observed along the k(001) direction. • Molecular dynamics simulation of β-Ga 2 O 3 under ion irradiation. • Anisotropic thermal conductivity with maximum along the [001] direction. • Direct observation of ion-to-molecule transition at 137.1 fs and 158.9 fs.

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