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A new mathematical interpretation of disordered nanoscale material systems for computational modelling
Computer Physics Communications ( IF 6.3 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.cpc.2020.107399
Jack J. Tyson , Tasmiat Rahman , Stuart A. Boden

Abstract As the era of microscale technologies becomes increasingly overcome by that of the nanoscale, an ever-increasing emphasis on the accurate modelling of such scaled systems is apparent. This work explores the combination of the finite element method with a new set of statistical algorithms to model the optical properties of disordered nanoscale morphologies. A silicon surface textured with a random distribution of nanowires is created to simulate, as an example study, how it responds to incident light. By averaging over many iterations of the model in which the structural parameters are varied around average values, a good match to experiment is achieved, showcasing an error as low as 1.34% in magnitude against measured data. This research introduces a fresh computational approach to simulating heterogeneous material structures widely applicable for modelling across the field of nanotechnology.

中文翻译:

用于计算建模的无序纳米材料系统的新数学解释

摘要 随着微米技术时代越来越多地被纳米技术所克服,对这种规模系统的精确建模的日益重视是显而易见的。这项工作探索了有限元方法与一组新的统计算法的结合,以模拟无序纳米级形态的光学特性。创建具有随机分布的纳米线纹理的硅表面,以模拟它如何响应入射光,作为研究示例。通过对模型的多次迭代求平均,其中结构参数围绕平均值变化,实现了与实验的良好匹配,显示与测量数据相比,误差幅度低至 1.34%。
更新日期:2020-10-01
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