Structural Units of Polycomponent Melts Modeled Using Diffraction, Spectroscopy, and Computation Techniques Научная публикация
Конференция |
5th International Workshop on Modeling in Crystal Growth 10-13 сент. 2006 , Bamberg |
||||||
---|---|---|---|---|---|---|---|
Журнал |
Journal of Crystal Growth
ISSN: 0022-0248 |
||||||
Вых. Данные | Год: 2007, Том: 303, Номер: 1 SPEC. ISS., Страницы: 44-48 Страниц : 5 DOI: 10.1016/j.jcrysgro.2006.11.305 | ||||||
Ключевые слова | A1. Computer simulations, A1. Low-dimensional structures, A1. Raman spectroscopy, A1. Synchrotron diffraction, A2. Crystallization from melt, B1. Complex oxides | ||||||
Авторы |
|
||||||
Организации |
|
Информация о финансировании (1)
1 | Российский фонд фундаментальных исследований | 04-05-64438 |
Реферат:
Molten sodium salts were studied using in situ diffractiometry and Raman spectroscopy with the aim to establish the composition, arrangement, and tendencies in the temperature evolution of major structural units (SU). The obtained results agree well with the quantum-chemical calculations of the models of corresponding cation–anion associative complexes (AC). A conclusion is made that supports the interpretation of AC with a temperature-dependent association–dissociation constant as a high reactivity SU of polycomponent melts, in contrast with the passive ones, i.e., high-polycondensed fragments of anion groupings. The AC with the configuration predominant in precursor clusters as well as the structure-forming cations can be regarded as elementary crystal growth units. The NMR-spectroscopy of cesium–borate glasses suggests varying structural state and different effects of the structure-forming cations in the polycomponent systems.
Библиографическая ссылка:
Tsvetkov E.G.
, Davydov A.V.
, Kozlova S.G.
, Yudaev I.V.
Structural Units of Polycomponent Melts Modeled Using Diffraction, Spectroscopy, and Computation Techniques
Journal of Crystal Growth. 2007. V.303. N1 SPEC. ISS.. P.44-48. DOI: 10.1016/j.jcrysgro.2006.11.305 WOS Scopus РИНЦ
Structural Units of Polycomponent Melts Modeled Using Diffraction, Spectroscopy, and Computation Techniques
Journal of Crystal Growth. 2007. V.303. N1 SPEC. ISS.. P.44-48. DOI: 10.1016/j.jcrysgro.2006.11.305 WOS Scopus РИНЦ
Даты:
Опубликована online: | 23 дек. 2006 г. |
Опубликована в печати: | 1 мая 2007 г. |
Идентификаторы БД:
Web of science | WOS:000246386900009 |
Scopus | 2-s2.0-34047264280 |
РИНЦ | 13552463 |
Chemical Abstracts | 2007:423369 |
Chemical Abstracts (print) | 147:80185 |
OpenAlex | W2005327334 |