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Результаты поиска по 'икосаэ':

Найдено статей: 1

Фурсов Е.В., Косилов А.Т., Прядильщиков А.Ю.
Влияние поверхности на особенности аморфизации системы Ni-Ag
Компьютерные исследования и моделирование, 2014, т. 6, № 2, с. 263-269

В рамках метода молекулярной динамики, с использованием многочастичного потенциаламежатомного взаимодействия, на модели свободной частицы Ni₆₀Ag₄₀ диаметром 40 Å, исследована структурная эволюция в процессе закалки. Проведен сравнительный анализ структурных перестроек для моделей частицы и массивного образца. Отмечено снижение температуры начала и конца превращений для частицы. Показано, что в образовании перколяционного кластера из взаимопроникающих и контактирующих между собой икосаэдров, для модели свободной частицы, задействовано на 10 % атомов больше, чем для модели массивного тела.

Ключевые слова: металлическая наночастица, молекулярная динамика, икосаэ.

Fursov E.V., Kosilov A.T., Pryadilshchikov A.Y.
Effect of the surface on characteristics of amorphization Ni-Ag system
Computer Research and Modeling, 2014, v. 6, no. 2, pp. 263-269

Molecular dynamics simulation using the embedded-atom method is applied to study the structural evolution of the particle diameter of 40 Å during the quenching process. Was carried comparative analysis of the structural reconstruction for the particle and the bulk models. Was a reduction in temperature of the beginning and end of the transformation of the particle. In formation of a percolation cluster from interpenetrating and contacting icosahedrons, for model of the particle, it is involved for 10 percent of atoms more, than for model of a bulk.

Keywords: metal nanoparticle, molecular dynamics simulation, icosahedron.
Views (last year): 1. Citations: 1 (RSCI).

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