502 citations · 1.3k across the 18 of their papers we have counts for
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cond-mat.mtrl-sci1999
Evolution of Fragments Formed at the Rupture of a Knotted Alkane Molecule
A. Marco Saitta, Michael L. Klein
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 f…
cond-mat.mtrl-sci1999★ 48 cited
Polyethylene under tensile load: strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations
A. Marco Saitta, Michael L. Klein
The mechanical resistance of a polyethylene strand subject to tension and the way its properties are affected by the presence of a knot is studied using first-principles molecular…