Компьютерное моделирование одиночной жесткоцепной макромолекулы в объеме и вблизи адсорбирующей поверхности методом Монте-Карло в обобщенных ансамблях
Диссертация
Построена диаграмма состояний для гомополимерной жесткоцепной макромолекулы длиной 256 мономерных звеньев. Найдены границы областей стабильности клубковой конформации, сферической, цилиндрической и тороидальной глобулярных структур. Впервые применен алгоритм Ландау — Ванга при построении весовых функций для равномерного посещения состояний с различными значениями внешнего поля h, определяющего… Читать ещё >
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