Open AccessTHEORETICAL STUDY OF STABILITY OF COMPOSITE BASED ON CARBON NANOTUBES AND RUTILE
Author(s) -
Olga E. Glukhova,
А. С. Колесникова,
I.N. Saliy,
М. М. Слепченков
Publication year - 2013
Publication title -
vestnik samarskogo universiteta. estestvennonaučnaâ seriâ
Language(s) - English
Resource type - Journals
eISSN - 2712-8954
pISSN - 2541-7525
DOI - 10.18287/2541-7525-2013-19-9.1-102-111
Subject(s) - carbon nanotube , materials science , composite number , rutile , nanocomposite , ceramic , composite material , enthalpy , nanotube , carbon fibers , chemical engineering , nanotechnology , thermodynamics , physics , engineering
With the help of quantum and chemical method of close coupling, finding of stable configuration of nanocomposite on the basis of "carbon nanotube and ceramics"is carried out. Rutile nanoparticle with surface (110) consisting of 148 atoms was considered as ceramic material. The criterion for stability was the enthalpy of reaction of formation of investigated composite. It is found out that the enthalpy of reaction decreases monotonically with increasing diameter of nanotube. It was revealed that the growth of stability of composite contributes to the increase in the number of bonds O-C and their location in two rows.