najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМОnajo-1100Research ArticleСтатьиMolecular dynamics investigation of deformation response of thin-film metallic nanostructures under heatingМолекулярно-динамическое исследование деформационного отклика тонкопленочных металлических наноструктур при нагреванииКоноваленкоИв. С.KonovalenkoI. S.

Tomsk

ivkon@ispms.tsc.ruЗольниковК. П.ZolnikovK. P.

Tomsk

ПсахьеС. Г.PsakhieS. G.

Tomsk

Organization of the Russian Academy of Sciences, Institute of Strength Physics and Materials Science of the Siberian Branch of RASRussian Federation201117082025227683Copyright © Konovalenko I.S., Zolnikov K.P., Psakhie S.G., 20252025Коноваленко И.С., Зольников К.П., Псахье С.Г.Konovalenko I.S., Zolnikov K.P., Psakhie S.G.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/1100

Molecular dynamics simulation of nanostructure behavior under impulse heating is carried out. These structures are formed by self-rolling of nano-thickness bilayer crystal films. The interatomic interactions are described by potentials obtained by the embedded atom method. The calculation data are shown that simulated nanostructures can transform the supplied thermal energy into the mechanical oscillations of its free edges. The influence of heating rate and its duration, medium viscosity properties on kinematical characteristics of simulated nanostructures is investigated. The influence of mass and size of oscillating free edges of nanostructures on their behavior under heating is studied. The efficiency estimation of thermal energy transformation, supplied to nanostructures, into mechanical oscillations of their free edges versus nanostructure configuration, chemical composition and rate of impulse heating is carried out. The atomic mechanisms responsible for the peculiarities of local atomic structure transformations in bilayer nanofilm under its detaching from the substrate as well as mechanism of thermal energy conversion into mechanical one by nanostructures are investigated.

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heterogeneous nanostructureskinematical propertiescomputer simulationmolecular dynamicsmultiparticle potentialsThe work was supported by the Grant of Lavrent’ev competition of young researcher projects of SB RAS 2009-2010 years and the Grant of The Russian Foundation for Basic Research No. 11-08-00817-a.ReferencesBolzani V., Venturi M., Credi A., Devices and Machines. A Journey into the Nanoworld. — Wiley VCH, Weinheim, 2003.Bolzani V., Venturi M., Credi A., Devices and Machines. A Journey into the Nanoworld. — Wiley VCH, Weinheim, 2003.Rapaport D.C., The Art of Molecular Dynamics Simulation. — Cambridge University Press, Cambridge, 1995.Rapaport D.C., The Art of Molecular Dynamics Simulation. — Cambridge University Press, Cambridge, 1995.Foiles S.M., Baskes M.I., Daw M.S. Embedded-atom-method for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys // Phys. Rev., 1986. V. B33, No. 12., P. 7983–7991.Foiles S.M., Baskes M.I., Daw M.S. Embedded-atom-method for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys // Phys. Rev., 1986. V. B33, No. 12., P. 7983–7991.Zolnikov K.P., Konovalenko Iv.S., Psakhie S.G. // Fiz. Mezomekh., 2004. V. 9(2) (Special issue), P. 14.Zolnikov K.P., Konovalenko Iv.S., Psakhie S.G. // Fiz. Mezomekh., 2004. V. 9(2) (Special issue), P. 14.Psakhie S.G., Zolnikov K.P., Blatnik S. // Fiz. Mezomekh., 2003. V. 6(4), P. 125.Psakhie S.G., Zolnikov K.P., Blatnik S. // Fiz. Mezomekh., 2003. V. 6(4), P. 125.Konovalenko Iv.S., Zolnikov K.P., Psakhie S.G. // Izv. visshikh uchebnikh zavedeniy. Fizika, 2005. V. 48 (6), P. 23.Konovalenko Iv.S., Zolnikov K.P., Psakhie S.G. // Izv. visshikh uchebnikh zavedeniy. Fizika, 2005. V. 48 (6), P. 23.Konovalenko Iv.S., Zolnikov K.P., Psakhie S.G. // Izv. visshikh uchebnikh zavedeniy. Fizika, 2006. V. 49 (3), P. 38.Konovalenko Iv.S., Zolnikov K.P., Psakhie S.G. // Izv. visshikh uchebnikh zavedeniy. Fizika, 2006. V. 49 (3), P. 38.Psakhie S.G., Zolnikov K.P., Konovalenko Iv.S. // Fiz. Mezomekh. 2006, V. 9 (Special issue), P. 9.Psakhie S.G., Zolnikov K.P., Konovalenko Iv.S. // Fiz. Mezomekh. 2006, V. 9 (Special issue), P. 9.

The authors declare that there are no conflicts of interest present.