Open AccessО термической устойчивости некоторых квазифуллеренов
Author(s) -
А.И. Подливаев,
Л.А. Опенов
Publication year - 2019
Publication title -
fizika tverdogo tela
Language(s) - English
Resource type - Journals
eISSN - 1726-7498
pISSN - 0367-3294
DOI - 10.21883/ftt.2019.03.47258.264
Subject(s) - arrhenius equation , activation energy , frequency factor , thermodynamics , thermal stability , fullerene , thermal decomposition , decomposition , molecular dynamics , materials science , stability (learning theory) , chemistry , chemical physics , computational chemistry , physics , computer science , organic chemistry , machine learning
The thermal stability of recently predicted quasi-fullerenes С_20, С_42, С_48, and С_60 is studied by the method of molecular dynamics. The routes of their decomposition and the temperature dependences of their lifetimes are determined. The activation energy and frequency factor values that appear in the Arrhenius law are found. New isomers are detected.