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An explicit all‐atom computational model for amorphous poly(lactide) (PLA) was developed. Molecular dynamics simulations of PLA glasses were conducted to explore various molecular interactions and predict certain physical properties. The density of a newly formed PLA glass aged for 100 ns at 298 K was 1.23 g/cm3, close to the experimental range (1.24–1.25 g/cm3). The glass transition temperature (...
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