Towards first-principles modelling of the mechanical properties of oriented poly(ethylene terephthalate)

Computational and Theoretical Polymer Science

Volumn 10, Issue 1-2, 2000, Pages 43-51

  Zhou, J ^a   Nicholson, T M ^a   Davies, G R ^a   Ward, I M ^a  

^a UNIVERSITY OF LEEDS   (United Kingdom)

Author keywords

Elastic constants; Energy minimisation; First principles modelling; Poly(ethylene terephthalate)

Indexed keywords

AMORPHOUS MATERIALS; ANISOTROPY; COMPUTER SIMULATION; ELASTICITY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POLYMERIC GLASS; STRAIN; TEMPERATURE; TENSORS;

ELASTIC CONSTANT; ENERGY MINIMISATION;

POLYETHYLENE TEREPHTHALATES;

MECHANICAL PROPERTY; MOLECULAR STRUCTURE; ORIENTATION; POLYETHYLENE TEREPHTHALATE;

EID: 0034069648     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(99)00032-X     Document Type: Article

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