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Information × Registration Number 0214U006542, 0113U004055 , R & D reports Title Molecular dynamic study of mechanical properties and phase transitions melting - crystallization in nanostructures of refractory transition metal carbides. popup.stage_title Head Skorokhod Valeriy, Registration Date 31-01-2014 Organization I.N.Frantsevich Institute for Probmens of Materials Sciences Ukrainian Academy of Science popup.description2 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. The calculations of linear expansion of nanocrystals of titanium carbide to failure at temperatures of 300, 1000, 2000, 3000, 3530 K are carried out. The results show that the proposed method is promising for studying atomic mechanisms of deformation and fracture of nanomaterials. 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 popup.authors А.В. Хачатрян А.О. Лісенко В. В. Картузов В. В. Огородников В.Л. Бекененьов popup.nrat_date 2020-04-02 Close