Nanosized quasi-binary eutectic systems and their characteristicparameters

Author:

Zakarian D., ,Khachatryan A.,

Abstract

A method for accounting for the influence of the outer surface on the internal state of the electron ― ion system for nanoparticles is proposed. The estimated interaction energy of the representative elements of the components (LaB6, MeB2) is part of the composite depending on the size of the nanoplate. The characteristic parameters of the eutectic of quasi-binary boride-boride systems are calculated and analytically presented. During the transition of bulk materials to nanomaterials, the melting temperature of the eutectic decreases, and the concentration ratio of the components changes. With the help of first-principle methods the scheme of calculation of energy of interaction of representative elements of components from the first principles is developed. The dependence of the interaction energy of the representative elements on the sizes of the materials is analytically obtained. It is proved that the reduction of the size of the eutectic composite leads to a significant decrease in the melting temperature at the eutectic point, as well as to a change in the concentration ratio of the components. The obtained analytical formulas allow to estimate the change of concentration and melting temperature at the eutectic point depending on the thickness of the nanocomposite. Keywords: electron-ion system energy, pseudopotential method, nanosystem, nanoplate surface energy, concentration and melting point at the eutectic point.

Publisher

National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka)

Reference11 articles.

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3. 3. Zakarian D.A. Ab initio obchyslennia teoretychnoi mitsnosti dikhalkohenidov MoS2 v zalezhnosti vid kilkosti interkalovanoho vodniu. [Ab initio calculation of the theoretical strength of MoS2 dichalcogenides depending on the amount of in-tercalated hydrogen]. Matematicheskie modeli i obchysliuvalnyi eksperyment v materialovedenii. Kyiv: In-t probl. materialovedeniia NAN Ukrainy. 2012. Issue 14. P. 79-82 [in Russian].

4. 4. Zakarian D.A., Kartuzov V.V. Modeliuvannia vplyvu masshtabnoho chynnyka na teoretychnu mitsnist nanochastynky z almazopodobnoi strukturoiu [Modeling the influence of the scale factor on the theoretical strength of a nanoparticle with a diamond-like structure]. Dop. NANU. 2008. No. 2. P. 101-108 [in Russian].

5. 5. Zakarian D., Kartuzov V., Khachatrian A. Quasi-harmonic approximation model in the theory of pseudopotentials. Raport of the National Academyof Sciences of Ukraine. 2016. No.11. P. 10-110.

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