PSI - Issue 23

Available online at www.sciencedirect.com Available online at www.sciencedirect.com

ScienceDirect Science irect

Available online at www.sciencedirect.com Structural I tegrity Procedia 00 (2019) 000 – 000 Structural Integrity Procedia 00 (2019) 000 – 000

www.elsevier.com/locate/procedia www.elsevier.com/locate/procedia

ScienceDirect

Procedia Structural Integrity 23 (2019) 310–315

© 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the ICMSMF organizers Abstract The main challenges in predicting the lifetime of nanoelements and nanodevices, as well as key physical effects that govern this lifetime are considered. An approach is proposed for predicting the lifetime of such objects, which is based on the original model of the fluctuation-induced interatomic bond break under the action of a force field. This model doesn't contain any empirical constants; the atomic interaction parameters for this model are determined by first-principle (DFT) calculations. The existence of two mechanisms for nanoelement failure is predicted, namely: ( i ) high-energy and ( ii ) low-energy. The kinetics of these mechanisms is demonstrated by the example of carbyne – graphene nanoelements, which are graphene sheets connected by a carbyne chain. The transition from the first to the second mechanism is manifested in decrease (by many orders of magnitude) in the lifetime of nanoelements. This is a consequence of the synergistic effect of the force field and thermal fluctuations of atomic displacements. The existence of a quantum-mechanical effect is predicted for the lifetime of nanoelements, which consists in the dependence of the lifetime on whether the number of atoms in a carbyne chain is even or odd ("even-odd" effect). 1 9 The Authors. Published by Elsevier B.V. is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) r-review under responsibility of the scientific committee of the IC MSMF organizers. Keywords: carbyne; carbyne-graphene nanoelements; lifetime; nanomechanic; nanodevice , thermal fluctuations. Abstract The main challenges in predicting the lifetime of nanoelements and nanodevices, as well as key physical effects that govern this lifetime are considered. An approach is proposed for predicting the lifetime of such objects, which is based on the original model of the fluctuation-induced interatomic bond break under the action of a force field. This model doesn't contain any empirical constants; the atomic interaction parameters for this model are determined by first-principle (DFT) calculations. The existence of two mechanisms for nanoelement failure is predicted, namely: ( i ) high-energy and ( ii ) low-energy. The kinetics of these mechanisms is demonstrated by the example of carbyne – graphene nanoelements, which are graphene sheets connected by a carbyne chain. The transition from the first to the second mechanism is manifested in decrease (by many orders of magnitude) in the lifetime of nanoelements. This is a consequence of the synergistic effect of the force field and thermal fluctuations of atomic displacements. The existence of a quantum-mechanical effect is predicted for the lifetime of nanoelements, which consists in the dependence of the lifetime on whether the number of atoms in a carbyne chain is even or odd ("even-odd" effect). © 201 9 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. Keywords: carbyne; carbyne-graphene nanoelements; lifetime; nanomechanic; nanodevice , thermal fluctuations. 9 th International Conference on Materials Structure and Micromechanics of Fracture Nanodevice lifetime prediction – the challenge for nano- and micromechanics Sergiy Kotrechko a,b,c *, Andrii Timoshevskii a , Eugene Kolyvoshko c , Yuriy Matviychuk a , Nataliya Stetsenko a a G.V. Kurdyumov Institute for Metal Physics, National Academy of Sciences of Ukraine, 36, Acad. Vernadsky Blvd., UA-0380 Kiev, Ukraine b National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute” 37, Prosp. Peremohy UA-03056 Kyiv, Ukraine c Taras Shevchenko Kyiv National University, 60, Volodymyrska Str., 01033, Kiev, Ukraine 9 th International Conference on Materials Structure and Micromechanics of Fracture anodevice lifeti e prediction – the challenge for nano- and micromechanics Sergiy Kotrechko a,b,c *, Andrii Timoshevskii a , Eugene Kolyvoshko c , Yuriy Matviychuk a , Nataliya Stetsenko a a G.V. Kurdyumov Institute for Metal Physics, National Academy of Sciences of Ukraine, 36, Acad. Vernadsky Blvd., UA-0380 Kiev, Ukraine b National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute” 37, Prosp. Peremohy UA-03056 Kyiv, Ukraine c Taras Shevchenko Kyiv National University, 60, Volodymyrska Str., 01033, Kiev, Ukraine

* Corresponding author. Tel.:+3-804-424-1352; fax: +3-804-424-2561. E-mail address: serkotr@gmail.com * Corresponding author. Tel.:+3-804-424-1352; fax: +3-804-424-2561. E-mail address: serkotr@gmail.com

2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers. 2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the IC MSMF organizers.

2452-3216 © 2019 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/) Peer-review under responsibility of the scientific committee of the ICMSMF organizers 10.1016/j.prostr.2020.01.105