Topological effects on the mechanical properties of polymer knots

Artykuł - publikacja recenzowana


Tytuł
Topological effects on the mechanical properties of polymer knots
Odpowiedzialność
Yani Zhao, Franco Ferrari
Twórcy
  • Zhao Yani ( Autor )
  • Ferrari Franco ( Autor ) 6.6
    Afiliacja, Pracownik naukowy : Wydział Matematyczno-Fizyczny, Instytut Fizyki - Zakład Teorii Pola
Sumy twórców
2 autorów
Punktacja publikacji
Osoba Dysc. Pc k m P U Pu Opis
0000-0002-7593-5850 6.6 30 1 2 30,00 1,0000 30,0000 Art.
Brak ORCID Brak deklaracji dyscypliny
Gł. język publikacji
Angielski (English)
Data publikacji
2017
Objętość
21 (stron).
Szacowana objętość
1,31 (arkuszy wydawniczych)
Identyfikator DOI
10.1016/j.physa.2017.05.015
Adres URL
https://www.sciencedirect.com/science/article/pii/S0378437117305265/pdfft?md5=d0a13893ba019b5c333da08933335651&pid=1-s2.0-S0378437117305265-main.pdf
Uwaga ogólna
Publikacja dostępna w open access.
Finansowanie
European Regional Development Fund in the frame of the project eLBRUS WND-RPZP.01.02.02-32-002/1
Cechy publikacji
  • Oryginalny artykuł naukowy
  • OpenAccess
Dane OpenAccess
CC_BY_NC_ND - Licencja,
FINAL_PUBLISHED - Wersja tekstu,
OTHER - Sposób publikacji,
AT_PUBLICATION - Moment udostępnienia,
2017-11-15 - Data udostępnienia
Słowa kluczowe
Czasopismo
Physica A: Statistical Mechanics and its Applications
( ISSN 0378-4371 )
Kraj wydania: Holandia (Netherlands)
Zeszyt: tom 486
Strony: 44-64
Pobierz opis jako:
BibTeX, RIS
Data zgłoszenia do bazy Publi
2018-02-11
PBN
Wyświetl
WorkId
17286

Abstrakt

en

The mechanical properties of knotted polymer rings under stretching in a bad or good solvent are investigated by applying a force to a point of the knot while keeping another point fixed. The Monte Carlo sampling of the polymer conformations is performed on a simple cubic lattice using the Wang–Landau algorithm. The specific energy, specific heat capacity, gyration radius and the force–elongation curves are computed for several knot topologies with lengths up to 120 lattice units. The common features of the mechanical and thermal behavior of stretched short polymer rings forming knots of a given topological type are analyzed as well as the differences arising due to topology and size effects. It is found that these systems admit three different phases depending on the values of the tensile force and the temperature. The transitions from one phase to the other are well characterized by the peaks of the specific heat capacity and by the data of the gyration radius and specific energy. At very low temperatures the force–elongation curves show that the stretching of a knot is a stepwise process, which becomes smooth at higher temperatures. Criteria for distinguishing topological and size effects are provided. It turns out from our study that the behavior of short polymer rings is strongly influenced by topological effects. In particular, the swelling and the swelling rate of knots are severely limited by the topological constraints. Several other properties that are affected by topology, like the decay of the specific energy at high tensile forces, are discussed. The fading out of the influences of topological origin with increasing knot lengths has been verified. Some anomalies detected in the plots of the specific heat capacity of very short and complex knots have been explained by the limitations in the number of accessible energy states due to the topological constraints.

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