Publication Date:
2017-08-15
Description:
Author(s): Sven Engelmann, Jan Meyer, and Reinhard Hentschke We study the thermal conductivity tensor in an atomistic model of vulcanized cis-1,4-polyisoprene (PI) rubber via molecular dynamics simulations. Our polymer force field is based on V. A. Harmandaris et al. [ J. Chem. Phys. 116 , 436 (2002) ], whereas the polymerization algorithm follows the descriptio... [Phys. Rev. B 96, 054110] Published Mon Aug 14, 2017
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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