Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics

Pineda, Evan J.; Husseini, Jamal; Kemppainen, Joshua; Odegard, Gregory M.; Bednarcyk, Brett A.; Pisani, William A.; Stapleton, Scott E.

doi:10.2514/6.2023-0140

AIAA SCITECH 2023 Forum 2023

DOI: 10.2514/6.2023-0140

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Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics

Evan J. Pineda

Jamal Husseini

Joshua Kemppainen

et al.

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2024

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An Algorithm for Modeling Thermoplastic Spherulite Growth Using Crystallization Kinetics

Husseini,

Pineda,

Stapleton

2024

Materials

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Crystallization kinetics were used to develop a spherulite growth model, which can determine local crystalline distributions through an optimization algorithm. Kinetics were used to simulate spherulite homogeneous nucleation, growth, and heterogeneous nucleation in a domain discretized into voxels. From this, an overall crystallinity was found, and an algorithm was used to find crystallinities of individual spherulites based on volume. Then, local crystallinities within the spherulites were found based on distance relative to the nucleus. Results show validation of this model to differential scanning calorimetry data for polyether ether ketone at different cooldown rates, and to experimental microscopic images of spherulite morphologies. Application of this model to various cooldown rates and the effect on crystalline distributions are also shown. This model serves as a tool for predicting the resulting semi-crystalline microstructures of polymers for different manufacturing methods. These can then be directly converted into a multiscale thermomechanical model.

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An Algorithm for Modeling Thermoplastic Spherulite Growth Using Crystallization Kinetics

Husseini,

Pineda,

Stapleton

2024

Materials

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Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics

Cited by 1 publication

References 28 publications

An Algorithm for Modeling Thermoplastic Spherulite Growth Using Crystallization Kinetics

An Algorithm for Modeling Thermoplastic Spherulite Growth Using Crystallization Kinetics

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