Adjoint model for estimating material parameters based on microstructure evolution during spinodal decomposition

Adjoint model for estimating material parameters based on microstructure evolution during spinodal decomposition
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基于旋节线分解期间微观结构演化估计材料参数的伴随模型

DOI:
10.1103/physrevmaterials.5.113801
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发表时间:
2021
影响因子:
3.4
通讯作者:
Koyama Toshiyuki
Koyama Toshiyuki
中科院分区:
材料科学3区
文献类型:
--
作者:
Matsuura Yuki;Tsukada Yuhki;Koyama Toshiyuki

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数据同化技术正引起越来越多的关注,因为它们使研究人员能够通过将先进的计算模型与微观结构演化的实验数据相结合来估计材料参数。在这项研究中,我们开发了一个伴随模型相场模型的Spinodal分解与时间序列的测量数据的成分场地图,估计未知参数的相场模型。作为算例,同时估计了六个参数(吉布斯能参数、梯度能系数等),在相场模型中,为了确认开发的伴随模型的有效性,被称为“孪生实验”的数值试验进行使用合成的测量数据准备提前通过相场模拟。在孪生实验中,六个感兴趣的模型参数的最佳估计值与真实值相吻合,表明可以成功地估计几个模型参数。此外,通过两个实验,研究了测量噪声的标准差和测量时间间隔对参数最优估计不确定度的影响。结果表明,和之间或和之间存在正相关关系,这是设计实验以估计模型参数的重要信息。假设所开发的伴随模型对于估计未知参数(例如,非平衡相的吉布斯能参数),并利用亚稳分解过程中微观结构演化的时间序列测量数据。
Data assimilation techniques are attracting increasing attention because they enable researchers to estimate material parameters by integrating an advanced computational model with experimental data of microstructure evolution. In this study, we develop an adjoint model to integrate a phase-field model for spinodal decomposition with time-series measurement data of compositional field maps to estimate the unknown parameters in the phase-field model. As a case study, simultaneous estimation of six parameters (Gibbs energy parameters, gradient energy coefficient, etc.) in the phase-field model is considered. To confirm the effectiveness of the developed adjoint model, numerical tests called “twin experiments” are conducted using synthetic measurement data prepared in advance through phase-field simulation. In the twin experiments, the optimum estimates of six model parameters of interest are shown to coincide with true values, indicating that several model parameters can be successfully estimated. Furthermore, the effects of the standard deviation of measurement noiseand the time interval of measurementson uncertainties of optimum estimates of parametersare examined by conducting twin experiments. It is shown that there is a positive correlation betweenandor betweenand, which is essential information for designing experiments to estimate model parameters. The developed adjoint model is assumed to be useful for estimating unknown parameters (e.g., Gibbs energy parameters of a nonequilibrium phase) using time-series measurement data of microstructure evolution during spinodal decomposition.
铝锌合金中旋节线分解的早期阶段
DOI: 10.1016/0001-6160(67)90266-0
发表时间: 1967
期刊: Acta Metallurgica
影响因子: --
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Fe-Mo-Co 和 Fe-Mo-V 三元体系中的旋节线分解
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发表时间: 2017
期刊: Journal of The Society of Instrument and Control Engineers
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作者:
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