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COMPUTER-SIMULATION ANALYSIS OF MICROSTRUCTURE FORMATION IN MONOMER AND POLYMER BLENDS INVOLVING A GLASSY COMPONENTстатья
Информация о цитировании статьи получена из
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Дата последнего поиска статьи во внешних источниках: 27 мая 2015 г.
- Авторы: KHALATUR PG, KHOKHLOV AR, VASILEVSKAYA VV
- Журнал: Macromolecular Theory and Simulations
- Том: 3
- Номер: 6
- Год издания: 1994
- Издательство: John Wiley & Sons Ltd.
- Местоположение издательства: United Kingdom
- Первая страница: 939
- Последняя страница: 961
- DOI: 10.1002/mats.1994.040030603
- Аннотация: Monte Carlo and molecular dynamics simulations are performed for low-molecular-weight and polymeric A/B mixtures with a glassy component A, The possibility of a glass transition in the microregions enriched with A-molecules is taken into account by introducing a ''freezing constraint''. Two types of this constraint are considered in the present paper: either the diffusion motion of a given A-particle is stopped if the concentration of A-units in some sphere around a given particle is larger than a certain critical value (constraint of G-type), or it is stopped if the concentration of ''plasticizing'' B-molecules in this sphere is lower than a certain critical value (constraint of P-type). It is shown that even for athermal A/B blends a ''freezing constraint'' of both types leads to the formation of well-separated microsegregated clusters of glassy A-units. The type of the final microstructure depends essentially on the type and the effective radius of the ''freezing constraint''; both ''frozen-in'' and equilibrium microdomain structures can emerge.
- Добавил в систему: Хохлов Алексей Ремович