Matches in SemOpenAlex for { <https://semopenalex.org/work/W2472242301> ?p ?o ?g. }
- W2472242301 endingPage "15552" @default.
- W2472242301 startingPage "15538" @default.
- W2472242301 abstract "Self-assembly processes of carbon nanotubes (CNTs) dispersed in different polymer phases have been investigated using a hybrid particle-field molecular dynamics technique (MD-SCF). This efficient computational method allowed simulations of large-scale systems (up to ∼1 500 000 particles) of flexible rod-like particles in different matrices made of bead spring chains on the millisecond time scale. The equilibrium morphologies obtained for longer CNTs are in good agreement with those proposed by several experimental studies that hypothesized a two level “multiscale” organization of CNT assemblies. In addition, the electrical properties of the assembled structures have been calculated using a resistor network approach. The calculated behaviour of the conductivities for longer CNTs is consistent with the power laws obtained by numerous experiments. In particular, according to the interpretation established by the systematic studies of Bauhofer and Kovacs, systems close to “statistical percolation” show exponents t ∼ 2 for the power law dependence of the electrical conductivity on the CNT fraction, and systems in which the CNTs reach equilibrium aggregation show exponents t close to 1.7 (“kinetic percolation”). The confinement effects on the assembled structures and their corresponding conductivity behaviour in a non-homogeneous matrix, such as the phase separating block copolymer melt, have also been simulated using different starting configurations. The simulations reported herein contribute to a microscopic interpretation of the literature results, and the proposed modelling procedure may contribute meaningfully to the rational design of strategies aimed at optimizing nanomaterials for improved electrical properties." @default.
- W2472242301 created "2016-07-22" @default.
- W2472242301 creator A5014012615 @default.
- W2472242301 creator A5041972661 @default.
- W2472242301 creator A5053203935 @default.
- W2472242301 creator A5057730293 @default.
- W2472242301 creator A5063403404 @default.
- W2472242301 creator A5078009885 @default.
- W2472242301 creator A5078612074 @default.
- W2472242301 creator A5087571870 @default.
- W2472242301 creator A5087916604 @default.
- W2472242301 date "2016-01-01" @default.
- W2472242301 modified "2023-09-27" @default.
- W2472242301 title "Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics" @default.
- W2472242301 cites W1963594126 @default.
- W2472242301 cites W1963852735 @default.
- W2472242301 cites W1964334611 @default.
- W2472242301 cites W1968580780 @default.
- W2472242301 cites W1971823118 @default.
- W2472242301 cites W1977493896 @default.
- W2472242301 cites W1977880029 @default.
- W2472242301 cites W1978493850 @default.
- W2472242301 cites W1982061903 @default.
- W2472242301 cites W1984270493 @default.
- W2472242301 cites W1984758475 @default.
- W2472242301 cites W1987303805 @default.
- W2472242301 cites W1988313065 @default.
- W2472242301 cites W1991024273 @default.
- W2472242301 cites W1992137619 @default.
- W2472242301 cites W1993298413 @default.
- W2472242301 cites W1995027103 @default.
- W2472242301 cites W1995766991 @default.
- W2472242301 cites W1996613237 @default.
- W2472242301 cites W1998483706 @default.
- W2472242301 cites W2000080008 @default.
- W2472242301 cites W2003434172 @default.
- W2472242301 cites W2003988556 @default.
- W2472242301 cites W2004052220 @default.
- W2472242301 cites W2006267181 @default.
- W2472242301 cites W2006971821 @default.
- W2472242301 cites W2007534257 @default.
- W2472242301 cites W2008342341 @default.
- W2472242301 cites W2009812626 @default.
- W2472242301 cites W2012610087 @default.
- W2472242301 cites W2012847438 @default.
- W2472242301 cites W2014209819 @default.
- W2472242301 cites W2014766597 @default.
- W2472242301 cites W2015784791 @default.
- W2472242301 cites W2018858346 @default.
- W2472242301 cites W2024086980 @default.
- W2472242301 cites W2025212829 @default.
- W2472242301 cites W2026747790 @default.
- W2472242301 cites W2028135228 @default.
- W2472242301 cites W2029417531 @default.
- W2472242301 cites W2031140945 @default.
- W2472242301 cites W2031535456 @default.
- W2472242301 cites W2031898086 @default.
- W2472242301 cites W2032842157 @default.
- W2472242301 cites W2032891525 @default.
- W2472242301 cites W2033133507 @default.
- W2472242301 cites W2033841376 @default.
- W2472242301 cites W2035923278 @default.
- W2472242301 cites W2039326650 @default.
- W2472242301 cites W2041909030 @default.
- W2472242301 cites W2042040359 @default.
- W2472242301 cites W2042566820 @default.
- W2472242301 cites W2044466713 @default.
- W2472242301 cites W2046741906 @default.
- W2472242301 cites W2049108033 @default.
- W2472242301 cites W2049588501 @default.
- W2472242301 cites W2049872988 @default.
- W2472242301 cites W2052732735 @default.
- W2472242301 cites W2055108719 @default.
- W2472242301 cites W2055817655 @default.
- W2472242301 cites W2056497879 @default.
- W2472242301 cites W2060419406 @default.
- W2472242301 cites W2060661453 @default.
- W2472242301 cites W2060997466 @default.
- W2472242301 cites W2061832930 @default.
- W2472242301 cites W2061978269 @default.
- W2472242301 cites W2063177953 @default.
- W2472242301 cites W2067393235 @default.
- W2472242301 cites W2069272306 @default.
- W2472242301 cites W2069996166 @default.
- W2472242301 cites W2070448527 @default.
- W2472242301 cites W2070759420 @default.
- W2472242301 cites W2073621783 @default.
- W2472242301 cites W2073930972 @default.
- W2472242301 cites W2076852786 @default.
- W2472242301 cites W2081188367 @default.
- W2472242301 cites W2081874141 @default.
- W2472242301 cites W2083949930 @default.
- W2472242301 cites W2088519138 @default.
- W2472242301 cites W2092034103 @default.
- W2472242301 cites W2092814318 @default.
- W2472242301 cites W2093641324 @default.
- W2472242301 cites W2094021556 @default.
- W2472242301 cites W2095476796 @default.