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Efficient test to evaluate the consistency of elastic and viscous moduli with Kramers–Kronig relations
Korea-Australia Rheology Journal ( IF 1.3 ) Pub Date : 2022-09-27 , DOI: 10.1007/s13367-022-00041-y
Sanjeeb Poudel , Sachin Shanbhag

The principle of causality constrains the real and imaginary parts of the complex modulus \(G^{*} = G^{\prime } + i G^{\prime \prime }\) via Kramers–Kronig relations (KKR). Thus, the consistency of observed elastic or storage (\(G^{\prime }\)) and viscous or loss (\(G^{\prime \prime }\)) moduli can be ascertained by checking whether they obey KKR. This is important when master curves of the complex modulus are constructed by transforming a number of individual datasets; for example, during time-temperature superposition. We adapt a recently developed statistical technique called the ‘Sum of Maxwell Elements using Lasso’ or SMEL test to assess the KKR compliance of linear viscoelastic data. We validate this test by successfully using it on real and synthetic datasets that follow and violate KKR. The SMEL test is found to be both accurate and efficient. As a byproduct, the parameters inferred during the SMEL test provide a noisy estimate of the discrete relaxation spectrum. Strategies to improve the quality and interpretability of the extracted discrete spectrum are explored by appealing to the principle of parsimony to first reduce the number of parameters, and then to nonlinear regression to fine tune the spectrum. Comparisons with spectra obtained from the open-source program pyReSpect suggest possible tradeoffs between speed and accuracy.



中文翻译:

用 Kramers-Kronig 关系评估弹性和粘性模量一致性的有效测试,用 Kramers-Kronig 关系评估弹性和粘性模量一致性的有效测试

因果关系原理通过 Kramers-Kronig 关系 (KKR)约束复模\(G^{*} = G^{\prime } + i G^{\prime \prime }\)的实部和虚部。因此,观察到的弹性或存储(\(G^{\prime }\))和粘性或损失(\(G^{\prime \prime }\))的一致性) 模量可以通过检查它们是否服从 KKR 来确定。当通过转换多个单独的数据集来构建复模量的主曲线时,这一点很重要。例如,在时间-温度叠加期间。我们采用最近开发的称为“使用套索的麦克斯韦元素总和”或 SMEL 测试的统计技术来评估线性粘弹性数据的 KKR 合规性。我们通过在遵循和违反 KKR 的真实和合成数据集上成功使用它来验证该测试。发现 SMEL 测试既准确又有效。作为副产品,在 SMEL 测试期间推断的参数提供了离散弛豫谱的噪声估计。通过诉诸简约原则首先减少参数数量,然后利用非线性回归对频谱进行微调,探索了提高提取的离散频谱的质量和可解释性的策略。与从开源程序 pyReSpect 获得的光谱进行比较表明可能在速度和准确性之间进行权衡。

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因果关系原理通过 Kramers-Kronig 关系 (KKR)约束复模\(G^{*} = G^{\prime } + i G^{\prime \prime }\)的实部和虚部。因此,观察到的弹性或存储(\(G^{\prime }\))和粘性或损失(\(G^{\prime \prime }\))的一致性) 模量可以通过检查它们是否服从 KKR 来确定。当通过转换多个单独的数据集来构建复模量的主曲线时,这一点很重要。例如,在时间-温度叠加期间。我们采用最近开发的称为“使用套索的麦克斯韦元素总和”或 SMEL 测试的统计技术来评估线性粘弹性数据的 KKR 合规性。我们通过在遵循和违反 KKR 的真实和合成数据集上成功使用它来验证该测试。发现 SMEL 测试既准确又有效。作为副产品,在 SMEL 测试期间推断的参数提供了离散弛豫谱的噪声估计。通过诉诸简约原则首先减少参数数量,然后利用非线性回归对频谱进行微调,探索了提高提取的离散频谱的质量和可解释性的策略。与从开源程序 pyReSpect 获得的光谱进行比较表明可能在速度和准确性之间进行权衡。

更新日期:2022-09-27
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