PSI - Issue 68

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K. Sergiy et al. / Structural Integrity Procedia 00 (2025) 000–000

Kotrechko Sergiy et al. / Procedia Structural Integrity 68 (2025) 47–52

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Fig. 5. Dependence of the force on the CGN strain when pulling the carbyne chain out of a graphene sheet.

4. Conclusions The results of study of the temperature effect on strength of carbyne-graphene nanoelement (CGN) over a wide temperature range using the molecular dynamics technique are presented. It was found that: 1. The fluctuation-induced contact bond break is a key-reason of the temperature dependence of carbyne-graphene nanoelements at temperatures lower than 1000 K. 2. At temperatures higher than 1000 K, there is a transition from the instability of carbyne-graphene nanoelements due to the contact bond breaking to the instability, as a result of the fluctuation-induced formation of a Stone-Wales like defect with the subsequent pulling out of the chain from the graphene sheet. 3. The ascertained regularities of the temperature effect on stability of carbyne-graphene nanoelements substantiate the possibility of using these nanoelements in straintronics products at temperatures lower than 1000 K. Heating to higher temperatures enables carbyne chains to be pulled from graphene sheets, and this may be employed in relevant technologies. Acknowledgements The research leading to these results was funded by the National Academy of Sciences of Ukraine (Grant number 0121U107569). References Arrhenius, S., 1889. Über die Dissociationswärme und den Einfuss der Temperatur auf den Dissociationsgrad der Elektrolyte. Zeitschrift Fur Physikalische Chemie 4U(1), 96–116. https://doi.org/10.1515/ zpch-1889-0408 Chuvilin, A., Meyer, J.C., Algara-Siller, G., and Kaiser U., 2009. From graphene constrictions to single carbon chains. New Journal of Physics 11, 083019. https://doi.org/10.1088/1367-2630/11/8/083019 Hobi, E., Pontes, Jr., R.B., Fazzio, A., and da Silva, A. J. R., 2010. Formation of atomic carbon chains from graphene nanoribbons. Physical Review B 81, 201406(R). https://doi.org/10.1103/PhysRevB.81.201406 Kotrechko, S., Timoshevskii, A., Kolyvoshko, E., Matviychuk, Yu., Stetsenko, N., 2017. Thermomechanical stability of carbyne-based nanodevices. Nanoscale Research Letters 12, 327–334. https://doi.org/10.1186/s11671-017-2099-4 Kotrechko, S., Kolyvoshko, E., Stetsenko, N., Timoshevskii, A., Palumbo, G., Matviychuk, Yu., 2022. Prediction of stability and lifetime of carbyne, carbyne–graphene and similar low-dimensional nanostructures. Applied Nanoscience 13, 4841–4855. https://doi.org/10.1007/s13204 022-02629-w Kotrechko, S., Kolyvoshko, E., Stetsenko, N., Timoshevskii, A., 2023. Statistic law of change in lifetime of carbyne‑graphene nanoelements and similar low‑dimensional nanostructures. Applied Nanoscience 13 (12), 7513–7520. https://doi.org/10.1007/s13204-023-02925-z Kramers, H.A., 1940. Brownian motion in a field of force and the diffusion model of chemical reactions. Physica 7(4), 284–304.