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Polyethylene

U Gedde, M Unge, F Nilsson, M Hedenqvist, Mass and charge transport in polyethylene - Structure, morphology and properties, Polymer 266, 125617 (2023) – doi

U W Gedde, A Mattozzi, Polyethylene Morphology, Adv Polym Sci 169, 29 (2004)


M Unge, H Aspaker, F Nilsson, M Pierre, M Hedenqvist, Coarse-Grained Model for Prediction of Hole Mobility in Polyethylene, JCTC 19, 7882 (2023) – doi

S Ehlert, S Grimme, A Hansen, Conformational Energy Benchmark for Longer n-Alkane Chains, JPCA 126, 3521 (2022) – zip

A Moyassari, M Unge, M Hedenqvist, U Gedde, F Nilsson, First-principle simulations of electronic structure in semicrystalline polyethylene, JCP 146, 204901 (2017) – doi

P Li, L Hu, A J H McGaughey, S Shen, Crystalline Polyethylene Nanofibers with the Theoretical Limit of Young's Modulus, AM 26, 1065 (2014)

J N Byrd, R J Bartlett, J A Montgomery, At What Chain Length Do Unbranched Alkanes Prefer Folded Conformations?, JPCA 118, 1706 (2014) – coo

T Yamamoto, Molecular dynamics of polymer crystallization revisited: Crystallization from the melt and the glass in longer polyethylene, JCP 139, 054903 (2013)

S W I Siu, K Pluhackova, R A Bockmann, Optimization of the OPLS-AA Force Field for Long Hydrocarbons, JCTC 8, 1459 (2012)

A Henry, G Chen, S J Plimpton, A Thompson, 1D-to-3D transition of phonon heat conduction in polyethylene using molecular dynamics simulations, PRB 82, 144308 (2010)

A Scholl, R Fink, E Umbach, G Mitchell, S Urquhart, H Ade, Towards a detailed understanding of the NEXAFS spectra of bulk polyethylene copolymers and related alkanes, CPL 370, 834 (2003) – doi

R Boese, H Weiss, D Blaser, The Melting Point Alternation in the Short-Chain n-Alkanes: Single-Crystal X-Ray Analyses of Propane at 30 K and of n-Butane to n-Nonane at 90 K, Angew Chem Int Ed 38, 988 (1999) – cif

W R Busing, X-ray Diffraction Study of Disorder in Allied Spectra-1000 Polyethylene Fibers, Macromol 23, 4608 (1990) – cif