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We apply molecular dynamics simulations to quantify the effects of free surfaces and interfacial regions on crystallization in freestanding and bilayer polymer films. We show that enhanced crystal nucleation in polymer thin films is quantitatively correlated to faster local segmental dynamics induced by free surfaces. When a second layer is deposited onto a semicrystalline film, we observe rapid primary nucleation near the free surface, secondary nucleation near the semicrystalline interface, an

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This dataset contains the simulation trajectory files for producing the key findings (figures and plots) in the manuscript “Thermodynamic origin of multi-step polymer crystallization”. Example simulation files for our simulation protocols are also included. To view the directory structure for the files, change File view to 'Tree'

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We apply molecular dynamics simulations to quantify the effects of free surfaces and interfacial regions on crystallization in freestanding and bilayer polymer films. We show that enhanced crystal nucleation in polymer thin films is quantitatively correlated to faster local segmental dynamics induced by free surfaces. When a second layer is deposited onto a semicrystalline film, we observe rapid primary nucleation near the free surface, secondary nucleation near the semicrystalline interface, an

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We apply molecular dynamics simulations to quantify the effects of free surfaces and interfacial regions on crystallization in freestanding and bilayer polymer films. We show that enhanced crystal nucleation in polymer thin films is quantitatively correlated to faster local segmental dynamics induced by free surfaces. When a second layer is deposited onto a semicrystalline film, we observe rapid primary nucleation near the free surface, secondary nucleation near the semicrystalline interface, an