论文标题

来自红外灭绝光谱的空间分辨化学信息

Space-resolved Chemical Information from Infrared Extinction Spectra

论文作者

de Silva, Kalpa, Akbar, Proity, Blümel, Reinhold

论文摘要

储层计算是预测湍流的有力工具,其简单的架构具有处理大型系统的计算效率。然而,其实现通常需要完整的状态向量测量和系统非线性知识。我们使用非线性投影函数将系统测量扩展到高维空间,然后将其输入到储层中以获得预测。我们展示了这种储层计算网络在时空混沌系统上的应用,该系统模拟了湍流的若干特征。我们表明,使用径向基函数作为非线性投影器,即使只有部分观测并且不知道控制方程,也能稳健地捕捉复杂的系统非线性。最后,我们表明,当测量稀疏、不完整且带有噪声,甚至控制方程变得不准确时,我们的网络仍然可以产生相当准确的预测,从而为实际湍流系统的无模型预测铺平了道路。

Based on the classical Lorentz model of the index of refraction, a new method is presented for the extraction of the complex index of refraction from the extinction efficiency of homogeneous and layered dielectric spheres that simultaneously removes scattering effects and corrects measured extinction spectra for baseline shifts, tilts, curvature, and scaling. No reference spectrum is required and the method automatically satisfies the Kramers-Kronig relations. Thus, the method yields pure absorbance spectra for unambiguous interpretation of the chemical information of the sample. In the case of homogeneous spheres, the method also determines the radius of the sphere. In the case of layered spheres, the method determines the radii of the layers and the substances within each layer. Only a single-element detector is required. Using simulated $Q_{ext}$ data of polymethyl-methacrylate (PMMA) and polystyrene homogeneous and layered spheres we show that our reconstruction algorithm is reliable and accurately extracts pure absorbance spectra from $Q_{ext}$ data. Reconstructing the pure absorbance spectrum from a published, experimentally measured raw absorbance spectrum shows that our method also works for uncorrected spectra, reliably removes scattering effects and, given shape information, simultaneously corrects for spectral distortions.

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