Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose I β

Title
Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose I β
Authors
Keywords
Cellulose I, β, Molecular dynamics, Force fields, Thermo-mechanical behavior, Anisotropy
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 109, Issue -, Pages 330-340
Publisher
Elsevier BV
Online
2015-08-05
DOI
10.1016/j.commatsci.2015.06.040

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