caa a22 4500 378903594 CHVBK 20180305123524.0 cr unu---uuuuu 161128e20041201xx s 000 0 eng 10.1515/epoly.2004.4.1.248 doi (NATIONALLICENCE)gruyter-10.1515/epoly.2004.4.1.248 Room temperature Monte Carlo study of the mechanical properties of thermoplastic polymers [Elektronische Daten] [Silvio A. Ospina, Michael Hess, Betty L. López] The effect of the tensile test rate upon the mechanical properties of semicrystalline high-density polyethylene (HDPE) is studied by the Monte Carlo method. A two-dimensional lattice model is used, which considers first and second neighbour's interactions between CH2-CH2 groups. Metropolis dynamics is implemented as energy minimization tool. Results reveal the existence of two distinguishable regions in the stress-strain curves. One of them is characterized by an elastic and linear behaviour below 0.27% of deformation where the elastic modulus is practically insensitive to the number of Monte Carlo steps, whereas at higher deformation the system exhibits a non-linear behaviour ascribed to the viscoelastic character of the material endorsed by a clear dependence of the relaxation modulus as a function of the strain rate. The relaxation behaviour of HDPE obtained in our simulation shows an exponential decrease of the stress as time increases, which agrees with experimental data. © 2013 by Walter de Gruyter GmbH & Co. Ospina Silvio A. Grupo Ciencia de los Materiales, Instituto de Química, Universidad de Antioquia, A.A: 1226, Medellín, Colombia; Fax 57-4-2330120 aut Hess Michael Department of Physical Chemistry, Gerhard Mercator University, 47048 Duisburg, Germany aut López Betty L. Grupo Ciencia de los Materiales, Instituto de Química, Universidad de Antioquia, A.A: 1226, Medellín, Colombia; Fax 57-4-2330120 aut e-Polymers De Gruyter 4/1(2004-12-01), 248-254 2197-4586 4:1<248 2004 4 epoly https://doi.org/10.1515/epoly.2004.4.1.248 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1515/epoly.2004.4.1.248 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ospina Silvio A. Grupo Ciencia de los Materiales, Instituto de Química, Universidad de Antioquia, A.A: 1226, Medellín, Colombia; Fax 57-4-2330120 aut NATIONALLICENCE 700 1- Hess Michael Department of Physical Chemistry, Gerhard Mercator University, 47048 Duisburg, Germany aut NATIONALLICENCE 700 1- López Betty L. Grupo Ciencia de los Materiales, Instituto de Química, Universidad de Antioquia, A.A: 1226, Medellín, Colombia; Fax 57-4-2330120 aut NATIONALLICENCE 773 0- e-Polymers De Gruyter 4/1(2004-12-01), 248-254 2197-4586 4:1<248 2004 4 epoly CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter