The Frequency-Domain Lattice Boltzmann Method (FreqD-LBM): A Versatile Tool to Predict the QCM Response Induced by Structured Samples

IF 2.9 4区 工程技术 Q1 MULTIDISCIPLINARY SCIENCES Advanced Theory and Simulations Pub Date : 2025-03-12 DOI:10.1002/adts.202401373
Diethelm Johannsmann, Paul Häusner, Arne Langhoff, Christian Leppin, Ilya Reviakine, Viktor Vanoppen
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Abstract

The quartz crystal microbalance with dissipation monitoring (QCM-D) is routinely used to investigate structured samples. Here, a simulation technique is described, that predicts the shifts of frequency and half bandwidth, Δfn and ΔΓn, of a quartz resonator operating on different overtone orders, n, induced by structured samples in contact with the resonator surface in liquid. The technique, abbreviated as FreqD-LBM, solves the Stokes equation in the frequency domain. The solution provides the complex amplitude of the area-averaged tangential stress at the resonator surface, from which Δfn and ΔΓn are derived. Because the dynamical variables are complex amplitudes, the viscosity can be complex, as well. The technique naturally covers viscoelasticity. Limitations are linked to the grid resolution and to problems at large viscosity. Validation steps include viscoelastic films, rough surfaces, an oscillating cylinder in a viscous medium, and a free-floating sphere above the resonator. Application examples are soft adsorbed particles, stiff adsorbed particles, and a large, immobile spherical cap above the resonator, which allows to study the high-frequency properties of the material in the gap. FreqDLBM runs on an office PC and does not require expert knowledge of numerical techniques. It is accessible to an experimentalist.

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频域晶格玻尔兹曼方法(frequency - lbm):预测结构样品引起的QCM响应的通用工具
带耗散监测的石英晶体微天平(QCM-D)通常用于研究结构样品。本文描述了一种模拟技术,该技术预测了石英谐振器在不同的谐波阶n上工作时,由液体中与谐振器表面接触的结构样品引起的频率和半带宽(Δfn和ΔΓn)的位移。该技术,简称为FreqD-LBM,在频域中求解Stokes方程。该解提供了谐振器表面面积平均切向应力的复振幅,由此推导出Δfn和ΔΓn。因为动力变量是复振幅,所以粘度也可以是复的。该技术自然涵盖粘弹性。限制与网格分辨率和大粘度问题有关。验证步骤包括粘弹性膜、粗糙表面、粘性介质中的振荡圆柱体和谐振器上方的自由浮动球体。应用实例是软吸附颗粒,硬吸附颗粒,以及谐振器上方的一个大的,不可移动的球形帽,可以研究间隙中材料的高频特性。FreqDLBM在办公PC上运行,不需要数值技术的专业知识。它对一个实验家来说是可以理解的。
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来源期刊
Advanced Theory and Simulations
Advanced Theory and Simulations Multidisciplinary-Multidisciplinary
CiteScore
5.50
自引率
3.00%
发文量
221
期刊介绍: Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics
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