Calculation of thermodynamic properties for the high-temperature phase of C70 fullerene

An approach of calculating thermodynamic properties of the high-temperature modification of C60 is extended to C70. For the intermolecular forces we use the potential proposed by Verheijen et al. which has been derived by summing Girifalco potentials over the 25 pairs of interacting atomic shells in each pair of molecules. We have calculated the normal isobar of the fee phase which is dominant at high temperatures and its spinodal point. Taking into account available information about the vibrational spectrum of the C70 molecule, thermodynamic properties have been calculated, including components of the elastic tensor. © 1997 Elsevier Science B.V.

Авторы
Barrio J.B.M.1, 2 , Tretiakov N.P. 1, 3 , Zubov V.I. 1, 3
Редакторы
-
Издательство
-
Номер выпуска
1
Язык
Английский
Страницы
69-74
Статус
Опубликовано
Подразделение
-
Номер
-
Том
234
Год
1997
Организации
  • 1 Departamento de Física, Universidade Federal de Goiás, C.P. 131, 74001-970 Goiania, Goias, Brazil
  • 2 Depto. de Matemat. e Física, Univ. Catol. de Goiás, Goiânia, Goiás, Brazil
  • 3 Departament of Theoretical Physics, Peoples' Friendship University, 117198 Moscow, Russian Federation
Ключевые слова
-
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/724/