A nucleation and growth model of silicon nanoparticles produced by pulsed laser deposition via Monte Carlo simulation

Wang, Yinglong; Qin, Aili; Chu, Lizhi; Deng, Zechao; Ding, Xu Chu; Guan, Li

doi:10.1142/s021798491750021x

Cited by 3 publications

(1 citation statement)

References 17 publications

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“…наночастиц. В последние годы наряду с методом молекулярной динамики метод Монте-Карло также активно применяется в процессе моделирования структурных превращений в наночастицах и наноструктурных материалах [1][2][3][4][5][6][7][8][9][10][11]. Совершенствование расчетной схемы [12] позволяет нивелировать недостатки метода Монте-Карло по сравнению с другими методами моделирования.…”

Section: Introductionunclassified

О Структурной Стабильности Моно- И Бинарных Металлических Наноклеток

Соколов,

Полев,

Мясниченко

et al. 2023

Physical and Chemical Aspects of the Study of Clusters, Nanostructures and Nanomaterials

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Аннотация: В данной работе рассмотрена проблема термической стабильности монои бинарных металлических наноклеток, состоящих из атомов золота и серебра. Количество атомов в исследуемых наноклетках составляло 1744, 2150, 2470 и 3370 атомов. Характерный размер (наружний диаметр) наноклеток от 4,4 до 5,1 нм. Межатомное взаимодействие описывалось потенциалом сильной связи. Анализ калорических зависимостей удельной потенциальной части внутренней энергии позволил идентифицировать температурные области «залечивания» полостей (пор) в гранях и во внутренней области (ядре) наноклеток. Подробно описан пример структурного коллапса наноклетки, в результате которого в ядре наночастицы идентифицируются кристаллические и квазикристаллические фазы до температуры, отвечающей плавлению для данного размера. Отдельно изучена сегрегация в бинарной наноклетке Au-Ag до и после ее коллапса. Ключевые слова: атомистическое моделированы, метод Монте-Карло, потенциал сильной связи, металлические наноклетки, поры, термическое воздействие, стабильность/нестабильность, структурообразование.

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Section: Introductionunclassified

О Структурной Стабильности Моно- И Бинарных Металлических Наноклеток

Соколов,

Полев,

Мясниченко

et al. 2023

Physical and Chemical Aspects of the Study of Clusters, Nanostructures and Nanomaterials

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Nucleation and growth of Si nanoparticles under different pulse repetition rates without the baffle for nanosecond pulsed laser-ablated deposition

et al. 2020

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In this article, Si nanoparticle (NP) films were prepared by pulsed laser ablation (PLA) in the argon atmosphere of 10 Pa at room temperature under different pulse repetition rates from 1 to 40 Hz without the baffle. Different from the conventional PLA method, the substrates were placed below and parallel to the ablated plume axis. The obtained films containing NPs were characterized by scanning electron microscopy and Raman spectrometer. The experimental results under constant laser fluence demonstrate the strong dependence of the mean size and the area number density of NPs on the repetition rate. Specifically, with the increase of pulse repetition rate, the mean size of the NPs in the film first decreases and reaches its minimum at 20 Hz, and then increases after 20 Hz, and decreases again till 40 Hz. The area number density shows the contrary trend versus mean size. The in situ diagnostic results of Langmuir probe denote the ablated Si ion density increases monotonously with the increase of repetition rate, while the temperature is almost constant. Combining with the nucleation probability, the growth/aggregation duration of NPs in the “nucleation region” and the effect of the baffle, the influence of pulse repetition rate on the formation of NPs is addressed. It is found that the repetition rate impacts the growth modes of NPs (i.e., growth and aggregation). 1–20, 20–30, and 30–40 Hz, respectively, correspond to growth-, aggregation-, and growth-controlled rate ranges without the baffle; however, 1–10, 10–20, and 20–40 Hz, respectively, correspond to growth-controlled, aggregation/growth-coexisted, and aggregation-controlled rate ranges with the baffle.

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The velocity splitting during the nucleation and growth of Si nanoparticles produced by pulsed laser deposition

et al. 2020

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The dynamic mechanism of the velocity splitting during the nucleation and growth of silicon nanoparticles produced by pulsed laser deposition is investigated using the Monte Carlo simulation method. Compared with the previous works, the earlier onset and end of the splitting phenomenon are found due to the nucleation and growth of Si nanoparticles in this paper. More importantly, our simulated results are more precisely consistent with the previous experimental data. The extrusion pressure and velocity elasticity of the “particle cluster” are proposed, it is the imbalance between them that induces the velocity splitting.

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A nucleation and growth model of silicon nanoparticles produced by pulsed laser deposition via Monte Carlo simulation

Cited by 3 publications

References 17 publications

О Структурной Стабильности Моно- И Бинарных Металлических Наноклеток

О Структурной Стабильности Моно- И Бинарных Металлических Наноклеток

Nucleation and growth of Si nanoparticles under different pulse repetition rates without the baffle for nanosecond pulsed laser-ablated deposition

The velocity splitting during the nucleation and growth of Si nanoparticles produced by pulsed laser deposition

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