2024
DOI: 10.1007/s10853-024-09683-5
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Heterogeneous nucleation of polyethylene crystals on binary hexagonal nanoplatelets

Nathan W. Volchko,
Gregory C. Rutledge

Abstract: Crystal nucleating agents offer an effective strategy for controlling the morphology, dimensional stability and rate of solidification of polymers during processing. Molecular dynamics (MD) simulation can shed light on nucleation behavior at the nanoscopic length and time scales over which nucleation occurs. In this work, crystal nucleation of a polyethylene oligomer, n-pentacontane, on three graphene-like substrates, hexagonal boron nitride (hBN), molybdenum disulfide (MoS2), and tungsten disulfide (WS2), was… Show more

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