Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites

2008 ◽  
Vol 41 (13) ◽  
pp. 4989-5001 ◽  
Author(s):  
François A. Detcheverry ◽  
Huiman Kang ◽  
Kostas Ch. Daoulas ◽  
Marcus Müller ◽  
Paul F. Nealey ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Coarse Grain ◽  
Grain Model

Monte Carlo Simulation of Adsorption of Di-Block Copolymers

1988 ◽  
Vol 140 ◽  
Author(s):  
Wan Y. Shih ◽  
Wei-Heng Shill ◽  
Ilhan A. Aksay
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Block Copolymer ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Degree Of Polymerization ◽  
Radius Of Gyration ◽  
Adsorbed Layers ◽  
Experimental Findings ◽  
Repulsive Forces

AbstractIn this paper we are concerned with the morphology of the polymers adsorbedon surfaces, in particular di-block copolymers. Our work is motivated by the experimental findings of Fladziioannou et al. [1] on the steric forces between two adsorbed layers of di-block poly(vinyl-2-pyridine)\ polystyrene (PV2P\ PS) copolymer on mica surfaces. The PV2P block binds strongly on the mica surfaces and the PS block extends into thesolvent toluene (good solvent for PS). Hadziiouannou et al. found that the repulsive forces between the two surfaces start at a distance 1) larger than 10 times the radius of gyration RG of a free P' in toluene. Furthermore, the starting distance D increases with increasing degree of polymerization N of PS in a fashion I) ~ Na with a close to I. We,tudy the adsorption of di-block copolymer with Monte Carlo simulations. The Monte Carlo simulations are especially powerful in dealing with kinetics which is important in systems where hysteresis is observed II1 and cannot be appropriately taken into account by analytical (or numerical) calculations based onequilibrium assumptions.

Microphase Separation in Sulfonated Block Copolymers Studied by Monte Carlo Simulations

2009 ◽  
Vol 42 (22) ◽  
pp. 8925-8932 ◽  
Author(s):  
P. Knychała ◽  
M. Banaszak ◽  
M. J. Park ◽  
N. P. Balsara
Keyword(s):  
Monte Carlo ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Microphase Separation

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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