Dynamic simulation of nanoscale systems

Автор: Korolev Evgenij Valerjevich, Smirnov Vladimir Alexeevich, Inozemtcev Alexander Sergeevich

Журнал: Нанотехнологии в строительстве: научный интернет-журнал @nanobuild

Статья в выпуске: 3 т.4, 2012 года.

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Considering the target scale level the applicability of the molecular dynamics for modeling of the nanoscale systems is shown. For the selected goal - to model the structure formation of nanomodified binder - both the model and simulation algorithms have been formulated. Necessity of the proposed algorithm's implementation in novel software has been evinced. Such implementation has been performed for the SMP systems.

Nanoscale system, molecular dynamic, parallel computation

Короткий адрес: https://sciup.org/14265620

IDR: 14265620

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