Journal
PHILOSOPHICAL MAGAZINE
Volume 92, Issue 35, Pages 4425-4436Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/14786435.2012.709950
Keywords
fracture; polymer; hydrogen molecule ion
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A pair of perfectly extended chains is considered where the intermolecular interaction is assumed to be based on hydrogenhydrogen interactions between the single chains. Deformation causes the distance between neighboring protons to contract. When protons are close, the interaction energy is split into the ground and excited states. Transition from the ground to the excited state interrupts interchain interactions and leads to fracture initiation.
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