350 руб
Журнал «Наукоемкие технологии» №7 за 2013 г.
Статья в номере:
Моделирование процессов синтеза нитевидных кристаллов алмаза в мягких условиях
Ключевые слова: нитевидные кристаллы алмаза синтез в мягких условиях компьютерное моделирование приближение сильных связей гибридизация углеродных связей
Авторы:
А.П. Коржавый - д.т.н., профессор, зав. кафедрой, Калужский филиал МГТУ им. Н.Э. Баумана. E-mail: fn2-kf@bmstu-kaluga.ru Б.М. Логинов - д. ф.-м.н., профессор, зав. кафедрой, Калужский филиал МГТУ им. Н.Э. Баумана. E-mail: bmloginov@kaluga.ru М.Б. Логинова - аспирант, Калужский филиал МГТУ им. Н.Э. Баумана К.В. Марамыгин - аспирант, Калужский филиал МГТУ им. Н.Э. Баумана И.В. Федосеев - д.т.н., профессор, Калужский филиал МГТУ им. Н.Э. Баумана. E-mail: fn2kf@list.ru
Аннотация:
На основании краткого обзора литературных данных результатов исследования процессов адсорбции оксида углерода на поверхность d-металлов и полученных авторами экспериментальных результатов синтеза нитевидных кристаллов алмаза (НКА) на основе деструкции карбонильных кластеров палладия разработана эмпирическая модель синтеза НКА в мягких условиях. Методом компьютерного моделирования, в полуклассическом молекулярно динамическом приближении сильных связей (МДСС), проведен анализ отдельных аспектов процесса синтеза НКА. Установлены закономерности влияния формирующего давления на особенности структуры синтезируемых кристаллов. Показано, что МДСС-методы могут служить платформой для эффективного поиска оптимальных условий синтеза идеальных кристаллов.
Страницы: 4-19
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