When rheological models of polymer blends are used for inverse modeling, they can characterize polymer mixtures from rheological observations. This requires repeated evaluation of potentially expensive rheological models. We explored surrogate models based on Gaussian processes (GP-SM) as a cheaper alternative for describing the rheology of polydisperse binary blends. We used the time-dependent diffusion double reptation (TDD-DR) model as the true model; it takes a 5-dimensional input vector specifying the binary blend as input and yields a function called the relaxation spectrum as output. We used the TDD-DR model to generate training data of different sizes [Formula: see text], via Latin hypercube sampling. The optimal values of the GP-SM hyper-parameters, assuming a separable covariance kernel, were obtained by maximum likelihood estimation. The GP-SM interpolates the training data by design and offers reasonable predictions of relaxation spectra with uncertainty estimates. In general, the accuracy of GP-SMs improves as the size of the training data [Formula: see text] increases, as does the cost for training and prediction. The optimal hyper-parameters were found to be relatively insensitive to [Formula: see text]. Finally, we considered the inverse problem of inferring the structure of the polymer blend from a synthetic dataset generated using the true model. Surprisingly, the solution to the inverse problem obtained using GP-SMs and TDD-DR was qualitatively similar. GP-SMs can be several orders of magnitude cheaper than expensive rheological models, which provides a proof-of-concept validation for using GP-SMs for inverse problems in polymer rheology.
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Identification of the 3D crystallographic orientation using 2D deformations
Polycrystalline materials consist of grains (crystals) oriented at different angles resulting in a heterogeneous and anisotropic mechanical behavior at that micro-length scale. In this study, a novel method is proposed for the first time to determine the [Formula: see text] crystal orientations of grains in a [Formula: see text] domain, using solely [Formula: see text] deformation fields. The grain boundaries are assumed to be unknown and delineated from the reconstructed changes in the crystallographic orientation. Further, the constitutive equations that describe the mechanical behavior of the domain in [Formula: see text] under plane stress conditions are derived, assuming that the material is transversely isotropic in 3D. Finite element based algorithms are utilized to discretize the inverse problem. The in-house written inverse problem solver is coupled with Matlab-based optimization scripts to solve for the mechanical property distributions. The performance of this method is tested at different noise levels with synthetic displacements that were used as measured data. The reconstructions deteriorate as the noise level is increased. This work presents a first milestone in the verification of this novel technology with synthetic data.
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- Award ID(s):
- 1663435
- NSF-PAR ID:
- 10327675
- Date Published:
- Journal Name:
- The Journal of Strain Analysis for Engineering Design
- ISSN:
- 0309-3247
- Page Range / eLocation ID:
- 030932472110431
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1177/03093247211043107
