inverse design
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AI-Driven Inverse Design of Functionally Graded Bio-Nanocomposites for Sustainable High-Barrier Packaging
Abstract: Multilayer plastic packaging realizes high barrier performance through laminated heterogeneous structures, but the heterogeneous structure has severe end-of-life challenges caused by the interfacial incompatibility of materials and the poor recyclability. This study proposes the inverse design of functionally graded PLA-nanoclay composite films by reinforcement learning as a monolithic alternative to traditional multilayer systems. Twin-screw extrusion is designed as a continuous control Markov decision process, and proximal policy optimization (PPO) is …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1547–1564 Read article