Research data supporting 'Numerical calculation of free-energy barriers for entangled polymer nucleation'
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Repository DOI
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Authors
Tang, Xiaoliang
Tian, Fucheng
Xu, Tingyu
Li, Liangbin
Reinhardt, Aleks
Description
This archive contains the relevant supporting data for the paper Xiaoliang Tang, Fucheng Tian, Tingyu Xu, Liangbin Li, Aleks Reinhardt, 'Numerical calculation of free-energy barriers for entangled polymer nucleation', J. Chem. Phys., 2020.
We have included the raw data for each of the figures in the manuscript (in plain-text format), example configurations of the melt and of the critical nucleus, a table of energies and forces for the angular part of the coarse-grained potential, and a sample Lammps input file.
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Software / Usage instructions
All files included are in plain text with appropriate descriptions at the top.
Keywords
nucleation, polymers, computer simulation
Publisher
Sponsorship
National Key R&D Program of China (2016YFB0302500); National Natural Science Foundation of China (51633009); Royal Society Newton Mobility Grant (MBAG/240 RG82754)