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- W4300535852 abstract "Common experience tells us that a knot significantly weakens the polymer strand in which it is tied, which in turn leads to more facile chain rupture under tensile loading. Using first-principles molecular dynamics calculations we describe the dynamical evolution of the radicals that form after chain rupture of a single knotted alkane molecule in their very early stages of life. They are able to recombine, to form cyclic alkanes and to undergo disproportionation phenomena with nearby chain segments. The breaking of a single knotted polymer chain under mechanical loading is thus predicted to reveal phenomena falling in the domain of ultrafast spectroscopy." @default.
- W4300535852 created "2022-10-03" @default.
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- W4300535852 date "1999-10-14" @default.
- W4300535852 modified "2023-09-23" @default.
- W4300535852 title "Evolution of Fragments Formed at the Rupture of a Knotted Alkane Molecule" @default.
- W4300535852 doi "https://doi.org/10.48550/arxiv.cond-mat/9910219" @default.
- W4300535852 hasPublicationYear "1999" @default.
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