Multiscale Modeling of Thermoplastic Matrix Composites for Cryogenic Hydrogen Storage Applications

The performance of thermoplastic matrix composites for linerless Type V cryotanks is evaluated via a partially coupled, multiscale computational workflow with the objective of assessing the choice of thermoplastic matrix material under realistic conditions. Atomistic molecular dynamics simulations provide temperature-dependent stiffness, thermal expansion, and yield strength data for six candidate thermoplastics. These inputs feed into a recursive micromechanics model that simulates a stress-free cooldown to liquid hydrogen temperature, followed by biaxial hoop to longitudinal loading representative of a cylindrical tank’s acreage. Progressive damage analyses predict the onset of matrix microcracking and ultimate burst behavior across four industry-relevant layups. Results highlight that [55/5/−55/−5] Double-Double or [0/±30/±60]ₛ layup architectures with low-melt poly(aryl ether ketone) or poly(ether ketone ketone) matrices deliver superior microcrack resistance, illustrating the power of this framework to guide material and layup selection for leak-resistant thermoplastic composite cryotanks.