Registration Number
0215U007267,
0113U004055
, R & D reports
Title
Molecular dynamic study of mechanical properties and phase transitions melting - crystallization in nanostructures of refractory transition metal carbides.
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Head
Skorokhod Valeriy,
Registration Date
20-02-2015
Organization
I.N.Frantsevich Institute for Probmens of Materials Sciences Ukrainian Academy of Science
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A model of interatomic interactions in refractory carbides d- transition metals, which allows efficient use of the molecular dynamics method for virtual testing the strength of nanocrystals with different kinds of load over a wide temperature range is developed. For the first time a study influence of temperature and strain rate on the stress-strain curves, Young's modulus for nanowires of carbides TiC, ZrC and TiC-ZrC alloys are carried out. It is found that Young's modulus is decreasing with increasing temperature. Stress fracture stress and strain fracture increase with increasing strain rate. The phenomenon of restructuring of the surface shape of nano objects with increasing temperature is found. For the first time computational experiments on segmentation of nanoclusters are carried out. It is shown that even metastable flat shapes of Ti5C4 Ti4C5 can spontaneously form nanoclusters Ti14C13, Ti13C14 of different shapes, depending on the initial distance and the relative orientation of the planes.
Product Description
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А.В. Хачатрян
А.О. Лісенко
В. В. Картузов
В. В. Огородников
В.Л. Бекененьов
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2020-04-02
