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首页> 外文会议>Symposium on Ion Beam Synthesis and Processing of Advanced Materials held Nov 27-29, 2000, Boston, Massachusetts, U.S.A. >Atomistic simulations of the Ostwald ripening of Si nanoparticles ion beam synthesized in
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Atomistic simulations of the Ostwald ripening of Si nanoparticles ion beam synthesized in

机译：硅纳米粒子合成的纳米粒子的Ostwald成熟的原子模拟。

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摘要

Most studies of Si nanocrystals ion beam synthesized in SiO_2 have shown that a link exists between the observed physical properties and the characteristics of the populations of nanoparticles (size-distribution, density, volume fraction). Nevertheless, the direct measurement of these parameters by Transmission Electron Microscopy (TEM) is very difficult and predictive simulations are essential to make the kinetic study complete. This paper presents atomistic simulations aimed at predicting the kinetic evolution of the Si nanoparticles during annealing, taking into account eventual interaction effects. The theoretical results arc compared to TEM measurements of the size-distributions observed after high temperature annealing. Experimentally, the growth of these nanoparticles is very slow but their size significantly increases when increasing the initial Si excess. Simulations are in agreement with these experimental results only when taking into account possible interactions between neighboring particles for initial supersaturations larger than 10 at. %.
机译：在SiO_2中合成的Si纳米晶体离子束的大多数研究表明，观察到的物理性质与纳米粒子的“种群”特性（尺寸分布，密度，体积分数）之间存在联系。然而，通过透射电子显微镜（TEM）直接测量这些参数非常困难，而预测模拟对于完成动力学研究至关重要。本文介绍了原子模拟，旨在预测退火期间Si纳米粒子的动力学演变，同时考虑了最终的相互作用效应。将理论结果与高温退火后观察到的尺寸分布的TEM测量结果进行比较。实验上，这些纳米粒子的生长非常缓慢，但是当增加初始Si过量时，它们的大小会明显增加。仅当考虑到初始过饱和度大于10 at的相邻粒子之间可能发生的相互作用时，模拟与这些实验结果一致。 ％。

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