Polyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations
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 dynamics calculations. The distribution of strain energy for the knotted chains has a well-defined shape that is very different from the one found in the linear case. The presence of a knot significantly weakens the chain in which it is tied. Chain rupture invariably occurs just outside the entrance to the knot, as is the case for a macroscopic rope. © 1999 American Institute of Physics..
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
1999 |
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| Erschienen: |
1999 |
| Reproduktion: |
AIP Digital Archive |
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| Enthalten in: |
Zur Gesamtaufnahme - volume:111 |
| Enthalten in: |
The Journal of Chemical Physics - 111(1999), 20, Seite 9434-9440 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Saitta, A. Marco [Sonstige Person] |
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| Links: |
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| Umfang: |
7 |
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| doi: |
10.1063/1.479855 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLEJ219039801 |
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| 245 | 1 | 0 | |a Polyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations |
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| 520 | |a 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 dynamics calculations. The distribution of strain energy for the knotted chains has a well-defined shape that is very different from the one found in the linear case. The presence of a knot significantly weakens the chain in which it is tied. Chain rupture invariably occurs just outside the entrance to the knot, as is the case for a macroscopic rope. © 1999 American Institute of Physics. | ||
| 533 | |f AIP Digital Archive | ||
| 700 | 1 | |a Saitta, A. Marco |4 oth | |
| 700 | 1 | |a Klein, Michael L. |4 oth | |
| 773 | 0 | 8 | |i In |t The Journal of Chemical Physics |d College Park, Md. : Inst., 1933 |g 111(1999), 20, Seite 9434-9440 |h Online-Ressource |w (DE-627)NLEJ217994202 |w (DE-600)1473050-9 |x 1089-7690 |7 nnns |
| 773 | 1 | 8 | |g volume:111 |g year:1999 |g number:20 |g pages:9434-9440 |g extent:7 |
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