Morphologies of linear triblock copolymers from Monte Carlo simulations

Macromolecules

Volumn 44, Issue 13, 2011, Pages 5490-5497

  Nagpal, Umang ^a   Detcheverry, François A ^b   Nealey, Paul F ^a   De Pablo, Juan J ^a  

^a University of Wisconsin Madison   (United States)

^b UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROPRIATE MATERIALS; BLOCK COPOLYMER LITHOGRAPHY; COARSE GRAIN MODEL; DIBLOCKS; EQUILIBRIUM STATE; FREE-ENERGY CALCULATIONS; GUIDE SELECTION; MOLECULAR ARCHITECTURE; MONTE CARLO SIMULATION; MULTIBLOCKS; PATTERNED SUBSTRATES; SELF-CONSISTENT-FIELD THEORY; THREE DIMENSIONS; TRIBLOCK COPOLYMER THIN FILMS; TRIBLOCKS; ULTRA-SMALL;

BLOCK COPOLYMERS; COPOLYMERIZATION; ESTERS; FREE ENERGY; MEAN FIELD THEORY; MOLECULAR ORBITALS; MONTE CARLO METHODS; MORPHOLOGY; PLASTIC PRODUCTS; STYRENE;

COMPUTER SIMULATION;

EID: 79960004986     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma200330f     Document Type: Article

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63. 3.
64. For other cases, the CSH morphology with end blocks forming the matrix has been predicted
65. Here the point with = 0. More details can be found in ref 17.
66. Within the simulation time considered here. Much longer simulations, not accessible as of now, might yield a different result.
67. In contrast to the gridless implementation, there is no obvious mechanism driving the local packing effects in the grid-based interaction employed here. Indeed beads interact only when located in the same cell, and, more importantly, the interaction does not depend on the position of the beads within the cell. As a consequence, we expect the packing effects to be very weak.